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 2qfy_1_F DATA FIRST_RESID 2 DATA SEQUENCE FSKIKVKQPV VELDGDEMTR IIWDKIKKKL ILPYLDVDLK YYDLSVESRD DATA SEQUENCE ATSDKITQDA AEAIKKYGVG IKCATITPDE ARVKEFNLHK MWKSPNGTIR DATA SEQUENCE NILGGTVFRE PIVIPRIPRL VPRWEKPIII GRHAHGDQYK ATDTLIPGPG DATA SEQUENCE SLELVYKPSD PTTAQPQTLK VYDYKGSGVA MAMYNTDESI EGFAHSSFKL DATA SEQUENCE AIDKKLNLFL STKNTILKKY DGRFKDIFQE VYEAQYKSKF EQLGIHYEHR DATA SEQUENCE LIDDMVAQMI KSKGGFIMAL KNYDGDVQSD IVAQGFGSLG LMTSILVTPD DATA SEQUENCE GKTFESEAAH GTVTRHYRKY QKGEETSTNS IASIFAWSRG LLKRGELDNT DATA SEQUENCE PALCKFANIL ESATLNTVQQ DGIMTKDLAL ACGNNERSAY VTTEEFLDAV DATA SEQUENCE EKRLQKEIKS I 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.774 175.800 -0.043 0.000 0.967 2 F CA 0.000 57.993 58.000 -0.012 0.000 1.383 2 F CB 0.000 39.014 39.000 0.023 0.000 1.145 3 S N 5.598 120.908 115.700 -0.649 0.000 2.523 3 S HA 0.347 4.818 4.470 0.001 0.000 0.275 3 S C -0.223 173.888 174.600 -0.814 0.000 1.281 3 S CA -0.665 57.217 58.200 -0.530 0.000 1.050 3 S CB 0.730 63.712 63.200 -0.363 0.000 0.937 3 S HN 0.477 nan 8.310 nan 0.000 0.492 4 K N 2.251 122.406 120.400 -0.407 0.000 2.436 4 K HA 0.160 4.481 4.320 0.001 0.000 0.275 4 K C -0.191 176.263 176.600 -0.243 0.000 0.999 4 K CA 0.190 56.324 56.287 -0.256 0.000 0.980 4 K CB 0.320 32.746 32.500 -0.124 0.000 0.919 4 K HN 0.532 nan 8.250 nan 0.000 0.484 5 I N 3.265 123.740 120.570 -0.157 0.000 2.416 5 I HA 0.020 4.190 4.170 0.001 0.000 0.288 5 I C 0.700 176.771 176.117 -0.076 0.000 1.051 5 I CA -0.362 60.873 61.300 -0.109 0.000 1.375 5 I CB 0.577 38.544 38.000 -0.056 0.000 1.407 5 I HN 0.275 nan 8.210 nan 0.000 0.516 6 K N 6.751 127.115 120.400 -0.060 0.000 2.312 6 K HA 0.247 4.568 4.320 0.001 0.000 0.287 6 K C -0.933 175.661 176.600 -0.010 0.000 1.062 6 K CA -0.366 55.899 56.287 -0.036 0.000 0.934 6 K CB 1.042 33.522 32.500 -0.034 0.000 1.027 6 K HN 0.328 nan 8.250 nan 0.000 0.478 7 V N 6.587 126.503 119.914 0.003 0.000 2.408 7 V HA 0.065 4.186 4.120 0.001 0.000 0.267 7 V C 1.832 177.943 176.094 0.029 0.000 1.047 7 V CA -0.172 62.144 62.300 0.026 0.000 0.937 7 V CB 1.079 32.927 31.823 0.043 0.000 0.999 7 V HN 0.813 nan 8.190 nan 0.000 0.472 8 K N 3.598 124.019 120.400 0.034 0.000 1.978 8 K HA -0.161 4.159 4.320 0.001 0.000 0.214 8 K C 0.955 177.588 176.600 0.054 0.000 1.049 8 K CA 1.505 57.816 56.287 0.039 0.000 0.939 8 K CB 0.136 32.660 32.500 0.041 0.000 0.721 8 K HN 0.629 nan 8.250 nan 0.000 0.441 9 Q N 0.103 119.946 119.800 0.071 0.000 2.226 9 Q HA 0.316 4.657 4.340 0.001 0.000 0.256 9 Q C -2.520 173.527 176.000 0.079 0.000 0.962 9 Q CA -2.434 53.428 55.803 0.099 0.000 0.887 9 Q CB 1.674 30.491 28.738 0.132 0.000 1.282 9 Q HN 0.034 nan 8.270 nan 0.000 0.449 10 P HA 0.073 nan 4.420 nan 0.000 0.270 10 P C -1.178 176.098 177.300 -0.040 0.000 1.223 10 P CA -0.190 62.871 63.100 -0.064 0.000 0.785 10 P CB 0.636 32.151 31.700 -0.308 0.000 0.923 11 V N 2.626 122.524 119.914 -0.027 0.000 2.555 11 V HA 0.240 4.361 4.120 0.001 0.000 0.302 11 V C 0.021 176.125 176.094 0.015 0.000 1.038 11 V CA -0.738 61.581 62.300 0.032 0.000 0.887 11 V CB 2.133 34.012 31.823 0.093 0.000 0.991 11 V HN 0.204 nan 8.190 nan 0.000 0.434 12 V N 4.046 123.986 119.914 0.045 0.000 2.432 12 V HA 0.353 4.474 4.120 0.001 0.000 0.275 12 V C 0.179 176.328 176.094 0.091 0.000 1.043 12 V CA -0.284 62.071 62.300 0.091 0.000 0.925 12 V CB 1.303 33.191 31.823 0.108 0.000 0.985 12 V HN 0.940 nan 8.190 nan 0.000 0.466 13 E N 5.270 125.566 120.200 0.161 0.000 2.165 13 E HA 0.480 4.830 4.350 0.001 0.000 0.266 13 E C -1.452 175.200 176.600 0.087 0.000 0.889 13 E CA -0.659 55.841 56.400 0.167 0.000 0.756 13 E CB 1.367 31.282 29.700 0.358 0.000 1.131 13 E HN 0.623 nan 8.360 nan 0.000 0.411 14 L N 4.240 125.454 121.223 -0.015 0.000 2.277 14 L HA 0.361 4.701 4.340 0.001 0.000 0.284 14 L C 0.109 176.788 176.870 -0.318 0.000 1.028 14 L CA -0.871 53.870 54.840 -0.166 0.000 0.835 14 L CB 1.010 42.961 42.059 -0.180 0.000 1.215 14 L HN 0.502 nan 8.230 nan 0.000 0.425 15 D N 1.798 121.986 120.400 -0.354 0.000 2.339 15 D HA 0.441 5.081 4.640 0.001 0.000 0.245 15 D C 0.269 176.343 176.300 -0.378 0.000 1.115 15 D CA 0.201 53.993 54.000 -0.347 0.000 0.917 15 D CB 2.246 43.012 40.800 -0.057 0.000 1.192 15 D HN 0.615 nan 8.370 nan 0.000 0.428 16 G N 1.278 109.831 108.800 -0.413 0.000 3.175 16 G HA2 0.320 4.281 3.960 0.001 0.000 0.153 16 G HA3 0.320 4.281 3.960 0.001 0.000 0.153 16 G C -0.672 174.097 174.900 -0.219 0.000 1.216 16 G CA -0.339 44.569 45.100 -0.321 0.000 0.943 16 G HN 0.485 nan 8.290 nan 0.000 0.611 17 D N -0.264 120.000 120.400 -0.227 0.000 2.374 17 D HA 0.356 4.997 4.640 0.001 0.000 0.239 17 D C 0.216 176.322 176.300 -0.322 0.000 0.991 17 D CA -0.241 53.610 54.000 -0.248 0.000 0.960 17 D CB 2.261 42.914 40.800 -0.245 0.000 1.284 17 D HN 0.583 nan 8.370 nan 0.000 0.512 18 E N -0.158 119.711 120.200 -0.551 0.000 3.551 18 E HA -0.330 4.021 4.350 0.001 0.000 0.403 18 E C 1.468 177.756 176.600 -0.521 0.000 1.596 18 E CA 1.061 56.814 56.400 -1.078 0.000 1.713 18 E CB -0.626 28.462 29.700 -1.020 0.000 1.618 18 E HN 0.380 nan 8.360 nan 0.000 0.429 19 M N 0.543 120.000 119.600 -0.238 0.000 2.073 19 M HA -0.155 4.325 4.480 0.001 0.000 0.258 19 M C 2.660 178.946 176.300 -0.022 0.000 1.070 19 M CA 2.791 58.084 55.300 -0.013 0.000 1.103 19 M CB -1.879 30.792 32.600 0.118 0.000 1.321 19 M HN 0.731 nan 8.290 nan 0.000 0.405 20 T N -2.030 112.510 114.554 -0.025 0.000 2.849 20 T HA -0.188 4.162 4.350 0.001 0.000 0.270 20 T C 1.951 176.700 174.700 0.082 0.000 1.066 20 T CA 1.402 63.529 62.100 0.045 0.000 1.130 20 T CB -0.440 68.426 68.868 -0.003 0.000 0.864 20 T HN 0.408 nan 8.240 nan 0.000 0.481 21 R N 0.852 121.340 120.500 -0.020 0.000 2.066 21 R HA 0.065 4.405 4.340 0.001 0.000 0.232 21 R C 2.465 178.844 176.300 0.132 0.000 1.131 21 R CA 1.233 57.354 56.100 0.035 0.000 0.955 21 R CB -0.438 29.828 30.300 -0.057 0.000 0.851 21 R HN 0.453 nan 8.270 nan 0.000 0.432 22 I N 0.731 121.317 120.570 0.026 0.000 2.163 22 I HA -0.323 3.847 4.170 0.001 0.000 0.243 22 I C 2.282 178.449 176.117 0.083 0.000 1.085 22 I CA 1.437 62.733 61.300 -0.008 0.000 1.347 22 I CB -0.221 37.604 38.000 -0.292 0.000 1.044 22 I HN 0.219 nan 8.210 nan 0.000 0.408 23 I N -0.481 120.158 120.570 0.115 0.000 2.286 23 I HA -0.317 3.854 4.170 0.001 0.000 0.248 23 I C 2.433 178.708 176.117 0.263 0.000 1.115 23 I CA 1.303 62.708 61.300 0.174 0.000 1.392 23 I CB -0.402 37.712 38.000 0.191 0.000 1.065 23 I HN 0.504 nan 8.210 nan 0.000 0.418 24 W N 2.084 123.458 121.300 0.123 0.000 2.358 24 W HA -0.273 4.388 4.660 0.001 0.000 0.303 24 W C 2.077 178.696 176.519 0.166 0.000 1.208 24 W CA 2.203 59.675 57.345 0.211 0.000 1.274 24 W CB -0.228 29.371 29.460 0.231 0.000 1.138 24 W HN 0.222 nan 8.180 nan 0.000 0.515 25 D N 0.113 120.714 120.400 0.336 0.000 2.144 25 D HA -0.189 4.451 4.640 0.001 0.000 0.199 25 D C 2.242 178.567 176.300 0.042 0.000 0.984 25 D CA 1.592 55.701 54.000 0.181 0.000 0.834 25 D CB -0.048 40.860 40.800 0.180 0.000 0.955 25 D HN -0.132 nan 8.370 nan 0.000 0.465 26 K N 0.137 120.569 120.400 0.052 0.000 2.026 26 K HA -0.101 4.220 4.320 0.001 0.000 0.208 26 K C 2.337 178.892 176.600 -0.075 0.000 1.048 26 K CA 0.714 57.008 56.287 0.011 0.000 0.929 26 K CB -0.385 32.147 32.500 0.054 0.000 0.713 26 K HN 0.347 nan 8.250 nan 0.000 0.439 27 I N 1.311 121.807 120.570 -0.124 0.000 2.127 27 I HA -0.331 3.839 4.170 0.001 0.000 0.241 27 I C 2.721 178.558 176.117 -0.466 0.000 1.075 27 I CA 1.386 62.516 61.300 -0.284 0.000 1.334 27 I CB -0.301 37.473 38.000 -0.376 0.000 1.040 27 I HN 0.212 nan 8.210 nan 0.000 0.405 28 K N 1.377 121.430 120.400 -0.578 0.000 2.032 28 K HA -0.235 4.086 4.320 0.001 0.000 0.209 28 K C 2.126 178.537 176.600 -0.315 0.000 1.048 28 K CA 1.767 57.682 56.287 -0.620 0.000 0.927 28 K CB -0.005 32.251 32.500 -0.406 0.000 0.712 28 K HN 0.237 nan 8.250 nan 0.000 0.441 29 K N -0.243 120.049 120.400 -0.181 0.000 2.155 29 K HA -0.049 4.272 4.320 0.001 0.000 0.203 29 K C 1.905 178.451 176.600 -0.091 0.000 1.052 29 K CA 0.938 57.160 56.287 -0.109 0.000 0.948 29 K CB 0.217 32.682 32.500 -0.058 0.000 0.728 29 K HN 0.029 nan 8.250 nan 0.000 0.448 30 K N 0.126 120.475 120.400 -0.086 0.000 2.313 30 K HA 0.136 4.457 4.320 0.001 0.000 0.197 30 K C 1.798 178.410 176.600 0.018 0.000 1.061 30 K CA 0.638 56.902 56.287 -0.038 0.000 0.980 30 K CB 0.387 32.868 32.500 -0.030 0.000 0.888 30 K HN 0.120 nan 8.250 nan 0.000 0.502 31 L N -0.430 120.767 121.223 -0.043 0.000 2.575 31 L HA 0.191 4.532 4.340 0.001 0.000 0.228 31 L C 1.332 178.268 176.870 0.111 0.000 1.075 31 L CA 0.089 54.939 54.840 0.016 0.000 0.867 31 L CB 0.063 42.045 42.059 -0.127 0.000 1.097 31 L HN -0.083 nan 8.230 nan 0.000 0.485 32 I N -0.577 119.950 120.570 -0.071 0.000 3.196 32 I HA -0.001 4.169 4.170 0.001 0.000 0.248 32 I C 2.067 178.155 176.117 -0.048 0.000 1.105 32 I CA 0.720 61.978 61.300 -0.070 0.000 1.482 32 I CB -0.319 37.405 38.000 -0.460 0.000 1.400 32 I HN -0.073 nan 8.210 nan 0.000 0.464 33 L N 1.001 122.149 121.223 -0.125 0.000 2.043 33 L HA -0.168 4.173 4.340 0.001 0.000 0.212 33 L C -0.465 176.341 176.870 -0.106 0.000 1.075 33 L CA 1.691 56.472 54.840 -0.100 0.000 0.752 33 L CB -1.853 40.145 42.059 -0.102 0.000 0.891 33 L HN 0.212 nan 8.230 nan 0.000 0.432 34 P HA -0.159 nan 4.420 nan 0.000 0.222 34 P C 0.689 177.739 177.300 -0.417 0.000 1.147 34 P CA 1.451 64.367 63.100 -0.307 0.000 0.790 34 P CB 0.008 31.448 31.700 -0.433 0.000 0.780 35 Y N -2.092 118.137 120.300 -0.119 0.000 2.462 35 Y HA 0.275 4.825 4.550 0.001 0.000 0.253 35 Y C 1.052 176.829 175.900 -0.205 0.000 1.095 35 Y CA -0.162 57.866 58.100 -0.119 0.000 1.283 35 Y CB 0.237 38.372 38.460 -0.541 0.000 1.138 35 Y HN -0.214 nan 8.280 nan 0.000 0.522 36 L N 0.319 121.476 121.223 -0.111 0.000 2.362 36 L HA 0.375 4.716 4.340 0.001 0.000 0.271 36 L C -0.974 175.856 176.870 -0.066 0.000 1.002 36 L CA -0.953 53.818 54.840 -0.115 0.000 0.818 36 L CB 1.739 43.725 42.059 -0.121 0.000 1.298 36 L HN -0.157 nan 8.230 nan 0.000 0.420 37 D N 2.797 123.164 120.400 -0.055 0.000 2.500 37 D HA 0.369 5.010 4.640 0.001 0.000 0.219 37 D C -0.958 175.333 176.300 -0.015 0.000 1.137 37 D CA -0.139 53.837 54.000 -0.040 0.000 0.946 37 D CB 0.826 41.598 40.800 -0.047 0.000 1.022 37 D HN 0.126 nan 8.370 nan 0.000 0.518 38 V N 2.410 122.325 119.914 0.001 0.000 2.628 38 V HA 0.315 4.436 4.120 0.001 0.000 0.306 38 V C 0.126 176.237 176.094 0.029 0.000 1.045 38 V CA -1.071 61.247 62.300 0.030 0.000 0.905 38 V CB 1.965 33.831 31.823 0.073 0.000 0.997 38 V HN 0.317 nan 8.190 nan 0.000 0.436 39 D N 3.762 124.176 120.400 0.024 0.000 2.456 39 D HA 0.356 4.996 4.640 0.001 0.000 0.219 39 D C -0.532 175.771 176.300 0.006 0.000 1.126 39 D CA -0.099 53.904 54.000 0.005 0.000 0.890 39 D CB 0.510 41.303 40.800 -0.012 0.000 1.025 39 D HN 0.442 nan 8.370 nan 0.000 0.511 40 L N 4.187 125.437 121.223 0.045 0.000 2.265 40 L HA 0.289 4.629 4.340 0.001 0.000 0.288 40 L C 0.705 177.612 176.870 0.063 0.000 1.058 40 L CA -0.715 54.179 54.840 0.091 0.000 0.809 40 L CB 0.859 43.035 42.059 0.194 0.000 1.179 40 L HN 0.004 nan 8.230 nan 0.000 0.429 41 K N 4.187 124.598 120.400 0.018 0.000 2.250 41 K HA 0.146 4.467 4.320 0.001 0.000 0.285 41 K C -0.731 175.933 176.600 0.105 0.000 1.097 41 K CA -0.319 55.971 56.287 0.005 0.000 0.913 41 K CB 0.337 32.807 32.500 -0.049 0.000 1.179 41 K HN 0.303 nan 8.250 nan 0.000 0.462 42 Y N 2.908 123.132 120.300 -0.127 0.000 2.359 42 Y HA 0.114 4.665 4.550 0.001 0.000 0.334 42 Y C -0.943 174.728 175.900 -0.383 0.000 1.058 42 Y CA -0.221 57.814 58.100 -0.107 0.000 1.244 42 Y CB 0.456 38.885 38.460 -0.052 0.000 1.187 42 Y HN 0.390 nan 8.280 nan 0.000 0.510 43 Y N 4.423 124.383 120.300 -0.567 0.000 2.326 43 Y HA 0.196 4.747 4.550 0.001 0.000 0.329 43 Y C -0.493 174.980 175.900 -0.712 0.000 0.973 43 Y CA -1.307 56.516 58.100 -0.462 0.000 1.162 43 Y CB 1.174 39.490 38.460 -0.241 0.000 1.147 43 Y HN 0.525 nan 8.280 nan 0.000 0.456 44 D N 4.659 124.797 120.400 -0.436 0.000 2.393 44 D HA 0.191 4.832 4.640 0.001 0.000 0.232 44 D C -0.093 176.103 176.300 -0.172 0.000 1.192 44 D CA 0.167 53.988 54.000 -0.298 0.000 0.882 44 D CB 0.717 41.494 40.800 -0.039 0.000 1.038 44 D HN 0.636 nan 8.370 nan 0.000 0.499 45 L N 3.205 124.309 121.223 -0.198 0.000 2.978 45 L HA 0.104 4.444 4.340 0.001 0.000 0.239 45 L C 1.021 177.788 176.870 -0.171 0.000 1.293 45 L CA -0.377 54.356 54.840 -0.178 0.000 1.085 45 L CB -0.434 41.511 42.059 -0.190 0.000 1.432 45 L HN 0.250 nan 8.230 nan 0.000 0.512 46 S N -1.551 114.065 115.700 -0.140 0.000 2.589 46 S HA 0.163 4.634 4.470 0.001 0.000 0.265 46 S C 1.433 175.956 174.600 -0.129 0.000 1.342 46 S CA -0.767 57.358 58.200 -0.125 0.000 1.005 46 S CB 1.944 65.100 63.200 -0.073 0.000 0.909 46 S HN -0.004 nan 8.310 nan 0.000 0.555 47 V N 1.483 121.322 119.914 -0.126 0.000 2.287 47 V HA -0.197 3.923 4.120 0.001 0.000 0.248 47 V C 2.797 178.847 176.094 -0.072 0.000 1.053 47 V CA 2.474 64.710 62.300 -0.106 0.000 1.027 47 V CB -1.250 30.495 31.823 -0.129 0.000 0.646 47 V HN 1.067 nan 8.190 nan 0.000 0.447 48 E N -0.261 119.919 120.200 -0.032 0.000 2.110 48 E HA -0.237 4.113 4.350 0.001 0.000 0.193 48 E C 2.395 178.973 176.600 -0.036 0.000 0.988 48 E CA 1.479 57.889 56.400 0.016 0.000 0.804 48 E CB -0.224 29.514 29.700 0.063 0.000 0.745 48 E HN 0.530 nan 8.360 nan 0.000 0.458 49 S N -0.119 115.541 115.700 -0.065 0.000 2.355 49 S HA -0.134 4.337 4.470 0.001 0.000 0.222 49 S C 2.013 176.507 174.600 -0.177 0.000 1.031 49 S CA 1.189 59.336 58.200 -0.088 0.000 0.993 49 S CB -0.159 62.996 63.200 -0.074 0.000 0.859 49 S HN 0.260 nan 8.310 nan 0.000 0.453 50 R N 0.309 120.659 120.500 -0.250 0.000 2.096 50 R HA -0.087 4.254 4.340 0.001 0.000 0.235 50 R C 2.121 178.018 176.300 -0.671 0.000 1.127 50 R CA 1.686 57.519 56.100 -0.445 0.000 0.968 50 R CB -0.453 29.564 30.300 -0.472 0.000 0.861 50 R HN 0.519 nan 8.270 nan 0.000 0.440 51 D N 0.183 120.317 120.400 -0.444 0.000 2.097 51 D HA -0.103 4.538 4.640 0.001 0.000 0.197 51 D C 1.786 177.930 176.300 -0.260 0.000 0.984 51 D CA 1.460 55.311 54.000 -0.249 0.000 0.826 51 D CB -0.001 40.886 40.800 0.144 0.000 0.973 51 D HN 0.213 nan 8.370 nan 0.000 0.460 52 A N -0.540 122.176 122.820 -0.174 0.000 1.978 52 A HA -0.124 4.197 4.320 0.001 0.000 0.220 52 A C 2.167 179.653 177.584 -0.163 0.000 1.170 52 A CA 2.295 54.252 52.037 -0.134 0.000 0.636 52 A CB -0.927 18.038 19.000 -0.058 0.000 0.810 52 A HN 0.452 nan 8.150 nan 0.000 0.448 53 T N -4.627 109.797 114.554 -0.216 0.000 3.105 53 T HA 0.310 4.661 4.350 0.001 0.000 0.253 53 T C 0.500 175.050 174.700 -0.251 0.000 1.047 53 T CA 0.713 62.701 62.100 -0.187 0.000 0.944 53 T CB -0.274 68.499 68.868 -0.159 0.000 1.016 53 T HN 0.572 nan 8.240 nan 0.000 0.544 54 S N 1.735 117.206 115.700 -0.381 0.000 3.641 54 S HA -0.182 4.289 4.470 0.001 0.000 0.346 54 S C 0.504 174.707 174.600 -0.662 0.000 1.074 54 S CA 0.885 58.832 58.200 -0.423 0.000 1.026 54 S CB -2.152 61.046 63.200 -0.003 0.000 0.908 54 S HN 0.905 nan 8.310 nan 0.000 0.479 55 D N -1.044 118.816 120.400 -0.899 0.000 3.079 55 D HA -0.187 4.454 4.640 0.001 0.000 0.214 55 D C 1.080 177.206 176.300 -0.290 0.000 1.145 55 D CA 1.677 55.300 54.000 -0.628 0.000 0.958 55 D CB -0.320 40.136 40.800 -0.572 0.000 1.117 55 D HN 0.397 nan 8.370 nan 0.000 0.416 56 K N 0.096 120.362 120.400 -0.223 0.000 2.097 56 K HA -0.017 4.303 4.320 0.001 0.000 0.205 56 K C 2.079 178.623 176.600 -0.094 0.000 1.050 56 K CA 0.927 57.145 56.287 -0.115 0.000 0.938 56 K CB -0.397 32.058 32.500 -0.076 0.000 0.718 56 K HN 0.488 nan 8.250 nan 0.000 0.442 57 I N 1.287 121.793 120.570 -0.107 0.000 2.315 57 I HA -0.275 3.895 4.170 0.001 0.000 0.251 57 I C 1.651 177.719 176.117 -0.081 0.000 1.125 57 I CA 1.627 62.901 61.300 -0.043 0.000 1.392 57 I CB -0.322 37.646 38.000 -0.055 0.000 1.065 57 I HN 0.121 nan 8.210 nan 0.000 0.424 58 T N -0.004 114.469 114.554 -0.136 0.000 2.737 58 T HA -0.201 4.150 4.350 0.001 0.000 0.265 58 T C 1.821 176.435 174.700 -0.142 0.000 1.038 58 T CA 1.627 63.640 62.100 -0.146 0.000 1.144 58 T CB -0.239 68.546 68.868 -0.140 0.000 0.866 58 T HN 0.484 nan 8.240 nan 0.000 0.434 59 Q N 0.643 120.377 119.800 -0.111 0.000 2.084 59 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 59 Q C 2.152 178.081 176.000 -0.119 0.000 0.978 59 Q CA 1.250 56.998 55.803 -0.092 0.000 0.844 59 Q CB -0.162 28.543 28.738 -0.056 0.000 0.898 59 Q HN 0.477 nan 8.270 nan 0.000 0.426 60 D N 0.584 120.916 120.400 -0.112 0.000 2.123 60 D HA -0.153 4.487 4.640 0.001 0.000 0.196 60 D C 1.807 177.857 176.300 -0.415 0.000 0.992 60 D CA 1.405 55.333 54.000 -0.120 0.000 0.833 60 D CB -0.189 40.646 40.800 0.058 0.000 0.954 60 D HN 0.258 nan 8.370 nan 0.000 0.455 61 A N 1.253 123.706 122.820 -0.612 0.000 1.877 61 A HA -0.067 4.254 4.320 0.001 0.000 0.216 61 A C 2.362 179.657 177.584 -0.481 0.000 1.186 61 A CA 2.362 53.824 52.037 -0.959 0.000 0.620 61 A CB -0.774 17.871 19.000 -0.591 0.000 0.822 61 A HN 0.242 nan 8.150 nan 0.000 0.443 62 A N -0.207 122.446 122.820 -0.279 0.000 1.940 62 A HA -0.198 4.123 4.320 0.001 0.000 0.219 62 A C 1.912 179.415 177.584 -0.135 0.000 1.176 62 A CA 1.712 53.650 52.037 -0.166 0.000 0.631 62 A CB -0.545 18.386 19.000 -0.115 0.000 0.814 62 A HN 0.657 nan 8.150 nan 0.000 0.446 63 E N -0.387 119.729 120.200 -0.140 0.000 2.150 63 E HA -0.045 4.305 4.350 0.001 0.000 0.193 63 E C 2.270 178.828 176.600 -0.070 0.000 0.985 63 E CA 0.711 57.057 56.400 -0.089 0.000 0.814 63 E CB -0.242 29.418 29.700 -0.067 0.000 0.752 63 E HN 0.638 nan 8.360 nan 0.000 0.466 64 A N 1.376 124.131 122.820 -0.108 0.000 1.898 64 A HA -0.160 4.160 4.320 0.001 0.000 0.216 64 A C 2.163 179.829 177.584 0.136 0.000 1.181 64 A CA 0.943 53.016 52.037 0.060 0.000 0.620 64 A CB -0.535 18.445 19.000 -0.034 0.000 0.819 64 A HN 0.121 nan 8.150 nan 0.000 0.442 65 I N -0.565 120.013 120.570 0.014 0.000 2.163 65 I HA -0.282 3.888 4.170 0.001 0.000 0.243 65 I C 2.544 178.688 176.117 0.045 0.000 1.085 65 I CA 1.925 63.256 61.300 0.052 0.000 1.347 65 I CB -0.264 37.730 38.000 -0.009 0.000 1.044 65 I HN 0.267 nan 8.210 nan 0.000 0.408 66 K N 1.698 122.092 120.400 -0.011 0.000 2.063 66 K HA -0.238 4.082 4.320 0.001 0.000 0.208 66 K C 2.054 178.625 176.600 -0.048 0.000 1.048 66 K CA 1.736 58.003 56.287 -0.032 0.000 0.928 66 K CB -0.272 32.199 32.500 -0.048 0.000 0.713 66 K HN 0.153 nan 8.250 nan 0.000 0.442 67 K N -1.139 119.209 120.400 -0.085 0.000 2.001 67 K HA -0.151 4.170 4.320 0.001 0.000 0.208 67 K C 1.717 178.132 176.600 -0.308 0.000 1.048 67 K CA 1.682 57.824 56.287 -0.242 0.000 0.932 67 K CB -0.189 32.076 32.500 -0.392 0.000 0.715 67 K HN 0.237 nan 8.250 nan 0.000 0.437 68 Y N -1.187 119.136 120.300 0.039 0.000 2.510 68 Y HA 0.165 4.716 4.550 0.001 0.000 0.273 68 Y C 1.698 177.640 175.900 0.069 0.000 1.119 68 Y CA 0.515 58.650 58.100 0.058 0.000 1.286 68 Y CB 0.947 39.451 38.460 0.073 0.000 1.061 68 Y HN 0.453 nan 8.280 nan 0.000 0.542 69 G N -0.364 108.545 108.800 0.182 0.000 2.345 69 G HA2 -0.253 3.707 3.960 0.001 0.000 0.218 69 G HA3 -0.253 3.707 3.960 0.001 0.000 0.218 69 G C -0.236 174.803 174.900 0.231 0.000 1.058 69 G CA 0.019 45.222 45.100 0.173 0.000 0.632 69 G HN 0.073 nan 8.290 nan 0.000 0.508 70 V N 1.228 121.275 119.914 0.223 0.000 2.638 70 V HA 0.794 4.915 4.120 0.001 0.000 0.306 70 V C 0.488 176.662 176.094 0.133 0.000 1.052 70 V CA 0.027 62.450 62.300 0.206 0.000 0.885 70 V CB 1.564 33.487 31.823 0.167 0.000 0.999 70 V HN 1.154 nan 8.190 nan 0.000 0.424 71 G N 4.073 112.935 108.800 0.103 0.000 2.524 71 G HA2 0.820 4.780 3.960 0.001 0.000 0.310 71 G HA3 0.820 4.780 3.960 0.001 0.000 0.310 71 G C -1.302 173.598 174.900 -0.000 0.000 1.279 71 G CA -0.583 44.542 45.100 0.042 0.000 0.974 71 G HN 0.588 nan 8.290 nan 0.000 0.484 72 I N 1.084 121.619 120.570 -0.058 0.000 2.447 72 I HA 0.385 4.556 4.170 0.001 0.000 0.287 72 I C -0.264 175.833 176.117 -0.034 0.000 1.023 72 I CA -0.699 60.529 61.300 -0.120 0.000 1.083 72 I CB 2.294 40.022 38.000 -0.453 0.000 1.245 72 I HN 0.303 nan 8.210 nan 0.000 0.434 73 K N 5.848 126.223 120.400 -0.041 0.000 2.292 73 K HA 0.488 4.809 4.320 0.001 0.000 0.257 73 K C -0.970 175.301 176.600 -0.549 0.000 0.940 73 K CA -0.470 55.678 56.287 -0.233 0.000 0.811 73 K CB 2.078 34.472 32.500 -0.177 0.000 1.120 73 K HN 0.733 nan 8.250 nan 0.000 0.428 74 C N 3.557 122.166 119.300 -1.152 0.000 2.466 74 C HA 0.621 5.081 4.460 0.001 0.000 0.379 74 C C 0.635 175.288 174.990 -0.562 0.000 1.251 74 C CA -0.489 57.699 59.018 -1.383 0.000 2.263 74 C CB -0.279 26.343 27.740 -1.864 0.000 2.511 74 C HN 0.914 nan 8.230 nan 0.000 0.573 75 A N 4.638 127.266 122.820 -0.320 0.000 2.540 75 A HA 0.490 4.811 4.320 0.001 0.000 0.239 75 A C 0.655 178.107 177.584 -0.219 0.000 1.061 75 A CA 0.846 52.769 52.037 -0.190 0.000 0.758 75 A CB -0.107 18.831 19.000 -0.103 0.000 0.991 75 A HN 1.216 nan 8.150 nan 0.000 0.502 76 T N -0.106 114.340 114.554 -0.180 0.000 2.926 76 T HA 0.730 5.080 4.350 0.001 0.000 0.289 76 T C -0.216 174.401 174.700 -0.137 0.000 1.054 76 T CA -0.676 61.320 62.100 -0.173 0.000 1.015 76 T CB 1.046 69.814 68.868 -0.166 0.000 1.167 76 T HN 0.421 nan 8.240 nan 0.000 0.526 77 I N 1.245 121.733 120.570 -0.137 0.000 2.412 77 I HA 0.341 4.512 4.170 0.001 0.000 0.296 77 I C -0.088 175.983 176.117 -0.077 0.000 0.987 77 I CA -0.755 60.475 61.300 -0.117 0.000 1.180 77 I CB 1.995 39.903 38.000 -0.154 0.000 1.340 77 I HN 0.701 nan 8.210 nan 0.000 0.455 78 T N 7.147 121.672 114.554 -0.050 0.000 2.781 78 T HA 0.285 4.636 4.350 0.001 0.000 0.305 78 T C -2.269 172.425 174.700 -0.010 0.000 1.001 78 T CA -1.172 60.923 62.100 -0.008 0.000 0.950 78 T CB 0.546 69.415 68.868 0.001 0.000 0.955 78 T HN 0.393 nan 8.240 nan 0.000 0.471 79 P HA 0.142 nan 4.420 nan 0.000 0.264 79 P C -0.697 176.602 177.300 -0.002 0.000 1.193 79 P CA -0.200 62.898 63.100 -0.003 0.000 0.763 79 P CB 0.706 32.431 31.700 0.042 0.000 0.810 80 D N 1.407 121.801 120.400 -0.009 0.000 2.549 80 D HA 0.135 4.776 4.640 0.001 0.000 0.270 80 D C 1.185 177.485 176.300 0.001 0.000 1.181 80 D CA -0.614 53.382 54.000 -0.007 0.000 1.070 80 D CB 0.298 41.094 40.800 -0.005 0.000 1.154 80 D HN 0.155 nan 8.370 nan 0.000 0.602 81 E N -0.134 120.064 120.200 -0.003 0.000 2.065 81 E HA -0.286 4.065 4.350 0.001 0.000 0.201 81 E C 2.042 178.657 176.600 0.025 0.000 1.016 81 E CA 1.918 58.319 56.400 0.001 0.000 0.818 81 E CB -0.808 28.890 29.700 -0.004 0.000 0.749 81 E HN 0.596 nan 8.360 nan 0.000 0.453 82 A N 1.469 124.310 122.820 0.035 0.000 1.859 82 A HA -0.268 4.053 4.320 0.001 0.000 0.217 82 A C 2.265 179.919 177.584 0.117 0.000 1.198 82 A CA 2.267 54.342 52.037 0.063 0.000 0.629 82 A CB -0.688 18.347 19.000 0.058 0.000 0.830 82 A HN 0.209 nan 8.150 nan 0.000 0.446 83 R N -0.644 119.923 120.500 0.111 0.000 2.096 83 R HA -0.079 4.262 4.340 0.001 0.000 0.235 83 R C 1.919 178.345 176.300 0.210 0.000 1.127 83 R CA 1.554 57.755 56.100 0.169 0.000 0.968 83 R CB -0.408 29.876 30.300 -0.026 0.000 0.861 83 R HN 0.310 nan 8.270 nan 0.000 0.440 84 V N 1.366 121.345 119.914 0.109 0.000 2.332 84 V HA -0.265 3.855 4.120 0.001 0.000 0.248 84 V C 2.428 178.591 176.094 0.114 0.000 1.055 84 V CA 2.184 64.539 62.300 0.092 0.000 1.038 84 V CB -0.480 31.349 31.823 0.011 0.000 0.651 84 V HN 0.409 nan 8.190 nan 0.000 0.450 85 K N -0.047 120.411 120.400 0.096 0.000 2.076 85 K HA -0.171 4.149 4.320 0.001 0.000 0.204 85 K C 2.239 178.891 176.600 0.087 0.000 1.051 85 K CA 1.496 57.825 56.287 0.070 0.000 0.949 85 K CB -0.095 32.429 32.500 0.041 0.000 0.726 85 K HN 0.507 nan 8.250 nan 0.000 0.443 86 E N -0.681 119.602 120.200 0.140 0.000 2.153 86 E HA -0.149 4.202 4.350 0.001 0.000 0.194 86 E C 0.453 177.003 176.600 -0.082 0.000 0.988 86 E CA 0.985 57.417 56.400 0.055 0.000 0.811 86 E CB 0.119 29.902 29.700 0.137 0.000 0.746 86 E HN 0.279 nan 8.360 nan 0.000 0.466 87 F N 0.504 120.484 119.950 0.050 0.000 2.668 87 F HA 0.235 4.762 4.527 0.001 0.000 0.301 87 F C 0.412 176.257 175.800 0.075 0.000 1.106 87 F CA -0.399 57.641 58.000 0.067 0.000 1.289 87 F CB 0.026 39.075 39.000 0.081 0.000 1.006 87 F HN -0.125 nan 8.300 nan 0.000 0.535 88 N N 2.267 121.072 118.700 0.174 0.000 2.669 88 N HA -0.223 4.518 4.740 0.001 0.000 0.266 88 N C -0.709 174.900 175.510 0.165 0.000 1.024 88 N CA 0.349 53.468 53.050 0.114 0.000 0.766 88 N CB -0.798 37.730 38.487 0.068 0.000 0.898 88 N HN 0.339 nan 8.380 nan 0.000 0.548 89 L N 1.089 122.426 121.223 0.191 0.000 2.379 89 L HA 0.208 4.549 4.340 0.001 0.000 0.269 89 L C 1.818 178.800 176.870 0.185 0.000 1.084 89 L CA -0.901 54.105 54.840 0.278 0.000 0.802 89 L CB 0.549 42.763 42.059 0.259 0.000 1.175 89 L HN 0.211 nan 8.230 nan 0.000 0.448 90 H N 0.581 119.715 119.070 0.107 0.000 2.489 90 H HA -0.036 4.521 4.556 0.001 0.000 0.293 90 H C -0.198 174.957 175.328 -0.289 0.000 1.066 90 H CA 0.738 56.778 56.048 -0.013 0.000 1.305 90 H CB -0.119 29.741 29.762 0.164 0.000 1.386 90 H HN 0.453 nan 8.280 nan 0.000 0.551 91 K N -2.128 118.010 120.400 -0.438 0.000 2.999 91 K HA 0.097 4.418 4.320 0.001 0.000 0.295 91 K C -1.132 175.053 176.600 -0.692 0.000 1.082 91 K CA -0.777 55.148 56.287 -0.603 0.000 0.816 91 K CB 0.370 32.412 32.500 -0.764 0.000 1.492 91 K HN -0.069 nan 8.250 nan 0.000 0.362 92 M N 2.619 121.966 119.600 -0.423 0.000 3.237 92 M HA 0.205 4.686 4.480 0.001 0.000 0.266 92 M C -1.196 174.986 176.300 -0.197 0.000 1.456 92 M CA -0.398 54.760 55.300 -0.237 0.000 1.593 92 M CB -0.333 32.192 32.600 -0.125 0.000 1.129 92 M HN 0.427 nan 8.290 nan 0.000 0.547 93 W N 3.878 125.177 121.300 -0.002 0.000 2.377 93 W HA -0.040 4.620 4.660 0.001 0.000 0.341 93 W C 0.721 177.228 176.519 -0.019 0.000 1.240 93 W CA -0.182 57.156 57.345 -0.012 0.000 1.311 93 W CB 0.192 29.638 29.460 -0.022 0.000 1.175 93 W HN 0.390 nan 8.180 nan 0.000 0.571 94 K N 1.657 122.209 120.400 0.253 0.000 2.276 94 K HA 0.079 4.399 4.320 0.001 0.000 0.259 94 K C 0.513 177.175 176.600 0.104 0.000 1.001 94 K CA -0.446 55.920 56.287 0.132 0.000 0.927 94 K CB 0.722 33.287 32.500 0.108 0.000 0.969 94 K HN 0.404 nan 8.250 nan 0.000 0.490 95 S N 2.009 117.746 115.700 0.062 0.000 2.546 95 S HA 0.046 4.516 4.470 0.001 0.000 0.290 95 S C -1.805 172.799 174.600 0.006 0.000 1.262 95 S CA -1.241 56.977 58.200 0.031 0.000 1.083 95 S CB 0.416 63.637 63.200 0.035 0.000 0.859 95 S HN 0.289 nan 8.310 nan 0.000 0.495 96 P HA -0.089 nan 4.420 nan 0.000 0.218 96 P C 1.070 178.333 177.300 -0.061 0.000 1.148 96 P CA 0.961 64.026 63.100 -0.058 0.000 0.822 96 P CB 0.087 31.730 31.700 -0.094 0.000 0.784 97 N N -0.570 118.097 118.700 -0.056 0.000 2.142 97 N HA -0.088 4.653 4.740 0.001 0.000 0.186 97 N C 2.040 177.515 175.510 -0.059 0.000 1.023 97 N CA 1.730 54.742 53.050 -0.064 0.000 0.852 97 N CB -1.211 37.238 38.487 -0.062 0.000 0.998 97 N HN 0.166 nan 8.380 nan 0.000 0.424 98 G N 0.666 109.448 108.800 -0.030 0.000 2.421 98 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 98 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 98 G C 1.601 176.489 174.900 -0.021 0.000 1.171 98 G CA 1.453 46.542 45.100 -0.019 0.000 0.775 98 G HN 0.262 nan 8.290 nan 0.000 0.543 99 T N 1.435 115.981 114.554 -0.013 0.000 2.684 99 T HA -0.080 4.271 4.350 0.001 0.000 0.267 99 T C 2.392 177.073 174.700 -0.031 0.000 1.036 99 T CA 1.157 63.250 62.100 -0.013 0.000 1.148 99 T CB -0.182 68.676 68.868 -0.017 0.000 0.863 99 T HN 0.252 nan 8.240 nan 0.000 0.436 100 I N 0.597 121.136 120.570 -0.051 0.000 2.179 100 I HA -0.177 3.994 4.170 0.001 0.000 0.242 100 I C 2.811 178.896 176.117 -0.053 0.000 1.088 100 I CA 1.360 62.623 61.300 -0.062 0.000 1.357 100 I CB -0.325 37.628 38.000 -0.078 0.000 1.051 100 I HN 0.120 nan 8.210 nan 0.000 0.409 101 R N 0.510 120.973 120.500 -0.061 0.000 2.096 101 R HA -0.169 4.172 4.340 0.001 0.000 0.235 101 R C 2.233 178.515 176.300 -0.030 0.000 1.127 101 R CA 1.519 57.578 56.100 -0.068 0.000 0.968 101 R CB -0.517 29.713 30.300 -0.118 0.000 0.861 101 R HN 0.461 nan 8.270 nan 0.000 0.440 102 N N 0.957 119.649 118.700 -0.013 0.000 2.142 102 N HA -0.141 4.600 4.740 0.001 0.000 0.186 102 N C 1.751 177.305 175.510 0.073 0.000 1.023 102 N CA 1.164 54.246 53.050 0.053 0.000 0.852 102 N CB 0.102 38.608 38.487 0.033 0.000 0.998 102 N HN 0.172 nan 8.380 nan 0.000 0.424 103 I N 1.009 121.593 120.570 0.022 0.000 2.202 103 I HA -0.243 3.928 4.170 0.001 0.000 0.242 103 I C 2.181 178.295 176.117 -0.005 0.000 1.091 103 I CA 0.866 62.171 61.300 0.008 0.000 1.368 103 I CB -0.163 37.826 38.000 -0.019 0.000 1.058 103 I HN 0.140 nan 8.210 nan 0.000 0.410 104 L N 0.132 121.342 121.223 -0.022 0.000 2.131 104 L HA 0.133 4.474 4.340 0.001 0.000 0.206 104 L C 1.349 178.199 176.870 -0.033 0.000 1.087 104 L CA 0.566 55.384 54.840 -0.036 0.000 0.767 104 L CB -1.037 40.993 42.059 -0.048 0.000 0.917 104 L HN 0.488 nan 8.230 nan 0.000 0.441 105 G N -0.642 108.148 108.800 -0.016 0.000 2.796 105 G HA2 0.115 4.076 3.960 0.001 0.000 0.226 105 G HA3 0.115 4.076 3.960 0.001 0.000 0.226 105 G C 0.269 175.152 174.900 -0.027 0.000 1.381 105 G CA -0.256 44.837 45.100 -0.012 0.000 0.867 105 G HN 0.863 nan 8.290 nan 0.000 0.552 106 G N -2.763 106.038 108.800 0.002 0.000 2.418 106 G HA2 0.493 4.454 3.960 0.001 0.000 0.206 106 G HA3 0.493 4.454 3.960 0.001 0.000 0.206 106 G C -0.126 174.765 174.900 -0.016 0.000 1.202 106 G CA 0.570 45.671 45.100 0.002 0.000 1.061 106 G HN 2.399 nan 8.290 nan 0.000 0.563 107 T N -0.220 114.266 114.554 -0.112 0.000 2.912 107 T HA 0.596 4.947 4.350 0.001 0.000 0.299 107 T C -0.531 173.935 174.700 -0.391 0.000 1.052 107 T CA -0.231 61.698 62.100 -0.285 0.000 0.996 107 T CB 2.240 70.878 68.868 -0.383 0.000 1.070 107 T HN 1.117 nan 8.240 nan 0.000 0.465 108 V N 3.489 123.176 119.914 -0.378 0.000 2.328 108 V HA 0.432 4.552 4.120 0.001 0.000 0.278 108 V C -0.876 175.072 176.094 -0.243 0.000 1.021 108 V CA -0.716 61.437 62.300 -0.245 0.000 0.838 108 V CB -0.070 31.657 31.823 -0.159 0.000 0.999 108 V HN 0.733 nan 8.190 nan 0.000 0.447 109 F N 4.710 124.695 119.950 0.059 0.000 2.411 109 F HA 0.606 5.134 4.527 0.001 0.000 0.355 109 F C 0.842 176.658 175.800 0.026 0.000 1.117 109 F CA -0.462 57.572 58.000 0.057 0.000 1.139 109 F CB 0.933 39.978 39.000 0.076 0.000 1.120 109 F HN 0.313 nan 8.300 nan 0.000 0.493 110 R N 2.939 123.557 120.500 0.196 0.000 2.561 110 R HA 0.560 4.901 4.340 0.001 0.000 0.297 110 R C -1.005 175.308 176.300 0.023 0.000 0.969 110 R CA -0.965 55.185 56.100 0.082 0.000 0.879 110 R CB 2.504 32.825 30.300 0.036 0.000 1.178 110 R HN 0.768 nan 8.270 nan 0.000 0.445 111 E N 2.561 122.737 120.200 -0.040 0.000 2.390 111 E HA 0.475 4.825 4.350 0.001 0.000 0.277 111 E C -2.901 173.567 176.600 -0.220 0.000 0.939 111 E CA -2.400 53.906 56.400 -0.157 0.000 0.769 111 E CB 2.670 32.278 29.700 -0.154 0.000 1.251 111 E HN 0.167 nan 8.360 nan 0.000 0.450 112 P HA 0.141 nan 4.420 nan 0.000 0.272 112 P C -0.298 176.808 177.300 -0.324 0.000 1.230 112 P CA -0.177 62.687 63.100 -0.393 0.000 0.788 112 P CB 0.883 32.144 31.700 -0.733 0.000 0.949 113 I N 1.932 122.328 120.570 -0.290 0.000 2.306 113 I HA 0.148 4.319 4.170 0.001 0.000 0.288 113 I C 0.185 176.173 176.117 -0.215 0.000 1.036 113 I CA -0.946 60.151 61.300 -0.338 0.000 1.221 113 I CB 1.264 38.901 38.000 -0.605 0.000 1.385 113 I HN -0.008 nan 8.210 nan 0.000 0.472 114 V N 8.086 127.916 119.914 -0.140 0.000 2.432 114 V HA 0.277 4.398 4.120 0.001 0.000 0.271 114 V C 0.313 176.401 176.094 -0.011 0.000 1.046 114 V CA -0.041 62.236 62.300 -0.039 0.000 0.945 114 V CB 1.076 32.900 31.823 0.002 0.000 0.992 114 V HN 0.481 nan 8.190 nan 0.000 0.471 115 I N 7.436 128.012 120.570 0.009 0.000 2.464 115 I HA 0.273 4.443 4.170 0.001 0.000 0.277 115 I C -1.571 174.568 176.117 0.037 0.000 1.040 115 I CA -1.762 59.550 61.300 0.020 0.000 1.153 115 I CB 1.900 39.905 38.000 0.009 0.000 1.274 115 I HN 0.423 nan 8.210 nan 0.000 0.469 116 P HA -0.280 nan 4.420 nan 0.000 0.222 116 P C 1.654 178.976 177.300 0.037 0.000 1.159 116 P CA 1.576 64.702 63.100 0.044 0.000 0.920 116 P CB 0.021 31.744 31.700 0.038 0.000 0.793 117 R N -0.603 119.917 120.500 0.032 0.000 2.159 117 R HA -0.112 4.228 4.340 0.001 0.000 0.237 117 R C 0.461 176.775 176.300 0.024 0.000 1.131 117 R CA 0.833 56.950 56.100 0.028 0.000 0.982 117 R CB -0.463 29.855 30.300 0.031 0.000 0.868 117 R HN 0.112 nan 8.270 nan 0.000 0.453 118 I N 3.136 123.721 120.570 0.025 0.000 2.471 118 I HA 0.157 4.328 4.170 0.001 0.000 0.286 118 I C -2.059 174.070 176.117 0.021 0.000 1.079 118 I CA -2.716 58.596 61.300 0.020 0.000 1.398 118 I CB 0.552 38.562 38.000 0.017 0.000 1.403 118 I HN -0.058 nan 8.210 nan 0.000 0.530 119 P HA 0.210 nan 4.420 nan 0.000 0.268 119 P C -0.540 176.753 177.300 -0.012 0.000 1.204 119 P CA -0.174 62.923 63.100 -0.005 0.000 0.768 119 P CB 0.458 32.150 31.700 -0.014 0.000 0.842 120 R N 2.892 123.373 120.500 -0.032 0.000 2.229 120 R HA 0.272 4.613 4.340 0.001 0.000 0.332 120 R C 1.149 177.367 176.300 -0.137 0.000 0.989 120 R CA -0.616 55.444 56.100 -0.068 0.000 0.842 120 R CB 0.606 30.856 30.300 -0.084 0.000 1.119 120 R HN 0.511 nan 8.270 nan 0.000 0.456 121 L N 2.164 123.297 121.223 -0.149 0.000 2.349 121 L HA -0.082 4.258 4.340 0.001 0.000 0.220 121 L C 0.444 177.127 176.870 -0.310 0.000 1.130 121 L CA 0.974 55.702 54.840 -0.187 0.000 0.791 121 L CB 0.045 42.012 42.059 -0.154 0.000 0.918 121 L HN 0.316 nan 8.230 nan 0.000 0.444 122 V N -0.507 119.128 119.914 -0.465 0.000 2.320 122 V HA 0.173 4.294 4.120 0.001 0.000 0.268 122 V C -1.481 174.303 176.094 -0.518 0.000 1.021 122 V CA -1.001 60.877 62.300 -0.703 0.000 0.813 122 V CB 1.100 31.989 31.823 -1.558 0.000 1.054 122 V HN -0.046 nan 8.190 nan 0.000 0.444 123 P HA -0.236 nan 4.420 nan 0.000 0.218 123 P C 1.656 178.895 177.300 -0.102 0.000 1.165 123 P CA 1.809 64.812 63.100 -0.161 0.000 0.922 123 P CB 0.113 31.740 31.700 -0.121 0.000 0.794 124 R N -2.404 118.040 120.500 -0.094 0.000 2.249 124 R HA -0.136 4.205 4.340 0.001 0.000 0.230 124 R C 0.294 176.690 176.300 0.160 0.000 1.121 124 R CA 0.503 56.620 56.100 0.028 0.000 0.997 124 R CB -0.495 29.835 30.300 0.050 0.000 0.867 124 R HN 0.286 nan 8.270 nan 0.000 0.465 125 W N 2.979 124.161 121.300 -0.197 0.000 2.160 125 W HA 0.016 4.676 4.660 0.001 0.000 0.464 125 W C 0.836 177.229 176.519 -0.210 0.000 0.914 125 W CA -0.464 56.691 57.345 -0.316 0.000 1.742 125 W CB -0.709 28.296 29.460 -0.759 0.000 1.780 125 W HN 0.277 nan 8.180 nan 0.000 0.307 126 E N 0.561 120.838 120.200 0.129 0.000 2.472 126 E HA 0.073 4.424 4.350 0.001 0.000 0.196 126 E C 0.008 176.696 176.600 0.147 0.000 1.033 126 E CA 0.304 56.777 56.400 0.122 0.000 0.886 126 E CB 0.396 30.149 29.700 0.088 0.000 0.944 126 E HN 0.192 nan 8.360 nan 0.000 0.492 127 K N 1.640 122.130 120.400 0.149 0.000 2.371 127 K HA 0.403 4.724 4.320 0.001 0.000 0.251 127 K C -2.852 173.829 176.600 0.136 0.000 0.934 127 K CA -2.704 53.647 56.287 0.107 0.000 0.798 127 K CB 2.138 34.662 32.500 0.040 0.000 1.204 127 K HN -0.186 nan 8.250 nan 0.000 0.427 128 P HA 0.007 nan 4.420 nan 0.000 0.262 128 P C -0.766 176.337 177.300 -0.329 0.000 1.182 128 P CA 0.425 63.366 63.100 -0.266 0.000 0.761 128 P CB 0.337 31.876 31.700 -0.268 0.000 0.795 129 I N 4.922 125.226 120.570 -0.444 0.000 2.321 129 I HA 0.310 4.480 4.170 0.001 0.000 0.291 129 I C 0.373 176.277 176.117 -0.354 0.000 0.998 129 I CA -0.510 60.460 61.300 -0.551 0.000 1.227 129 I CB 0.780 38.398 38.000 -0.636 0.000 1.368 129 I HN 0.141 nan 8.210 nan 0.000 0.466 130 I N 7.168 127.604 120.570 -0.223 0.000 2.392 130 I HA 0.401 4.572 4.170 0.001 0.000 0.295 130 I C -0.245 175.907 176.117 0.059 0.000 0.985 130 I CA -0.556 60.701 61.300 -0.071 0.000 1.221 130 I CB 1.699 39.676 38.000 -0.038 0.000 1.366 130 I HN 0.378 nan 8.210 nan 0.000 0.467 131 I N 4.859 125.494 120.570 0.108 0.000 2.355 131 I HA 0.316 4.487 4.170 0.001 0.000 0.288 131 I C 0.527 176.798 176.117 0.256 0.000 0.999 131 I CA -0.335 61.059 61.300 0.157 0.000 1.163 131 I CB 1.636 39.684 38.000 0.080 0.000 1.316 131 I HN 0.646 nan 8.210 nan 0.000 0.454 132 G N 6.475 115.468 108.800 0.322 0.000 2.571 132 G HA2 0.301 4.261 3.960 0.001 0.000 0.327 132 G HA3 0.301 4.261 3.960 0.001 0.000 0.327 132 G C -0.197 174.810 174.900 0.178 0.000 1.008 132 G CA -0.506 44.755 45.100 0.269 0.000 1.136 132 G HN 0.617 nan 8.290 nan 0.000 0.444 133 R N 2.379 122.843 120.500 -0.060 0.000 2.221 133 R HA 0.170 4.511 4.340 0.001 0.000 0.327 133 R C -0.266 175.804 176.300 -0.383 0.000 1.033 133 R CA -0.692 55.318 56.100 -0.149 0.000 0.887 133 R CB 0.312 30.525 30.300 -0.145 0.000 1.057 133 R HN 0.693 nan 8.270 nan 0.000 0.455 134 H N 3.353 121.908 119.070 -0.858 0.000 3.046 134 H HA 0.006 4.563 4.556 0.001 0.000 0.303 134 H C 0.504 175.539 175.328 -0.488 0.000 1.002 134 H CA 0.363 55.746 56.048 -1.109 0.000 1.460 134 H CB 1.140 30.258 29.762 -1.073 0.000 1.493 134 H HN 0.829 nan 8.280 nan 0.000 0.559 135 A N 5.464 128.084 122.820 -0.332 0.000 2.208 135 A HA -0.047 4.274 4.320 0.001 0.000 0.209 135 A C 0.664 178.053 177.584 -0.325 0.000 1.161 135 A CA 0.389 52.240 52.037 -0.310 0.000 0.782 135 A CB -0.065 18.821 19.000 -0.190 0.000 0.816 135 A HN 0.826 nan 8.150 nan 0.000 0.477 136 H N -1.005 117.673 119.070 -0.654 0.000 2.622 136 H HA 0.490 5.046 4.556 0.001 0.000 0.363 136 H C 0.597 175.632 175.328 -0.489 0.000 1.151 136 H CA 0.478 56.235 56.048 -0.485 0.000 1.184 136 H CB 1.303 30.898 29.762 -0.279 0.000 1.643 136 H HN 0.672 nan 8.280 nan 0.000 0.531 137 G N 3.691 111.886 108.800 -1.008 0.000 2.553 137 G HA2 -0.256 3.704 3.960 0.001 0.000 0.242 137 G HA3 -0.256 3.704 3.960 0.001 0.000 0.242 137 G C -0.550 174.173 174.900 -0.294 0.000 1.277 137 G CA 0.505 45.148 45.100 -0.761 0.000 0.910 137 G HN 0.938 nan 8.290 nan 0.000 0.576 138 D N -2.191 118.099 120.400 -0.183 0.000 3.245 138 D HA -0.205 4.435 4.640 0.001 0.000 0.196 138 D C 1.792 178.033 176.300 -0.097 0.000 1.370 138 D CA 1.986 55.975 54.000 -0.018 0.000 1.087 138 D CB -1.139 39.726 40.800 0.108 0.000 0.612 138 D HN 0.874 nan 8.370 nan 0.000 0.704 139 Q N -1.129 118.610 119.800 -0.102 0.000 2.217 139 Q HA -0.170 4.170 4.340 0.001 0.000 0.209 139 Q C 2.009 177.800 176.000 -0.347 0.000 0.988 139 Q CA 1.931 57.566 55.803 -0.281 0.000 0.878 139 Q CB -0.334 28.128 28.738 -0.461 0.000 0.909 139 Q HN 0.545 nan 8.270 nan 0.000 0.424 140 Y N -0.295 119.920 120.300 -0.141 0.000 2.571 140 Y HA -0.014 4.537 4.550 0.001 0.000 0.294 140 Y C 1.193 177.006 175.900 -0.144 0.000 1.141 140 Y CA 0.669 58.693 58.100 -0.127 0.000 1.308 140 Y CB 0.404 38.785 38.460 -0.131 0.000 1.002 140 Y HN -0.085 nan 8.280 nan 0.000 0.551 141 K N -0.526 119.817 120.400 -0.096 0.000 2.501 141 K HA 0.410 4.731 4.320 0.001 0.000 0.204 141 K C 0.370 176.950 176.600 -0.033 0.000 1.067 141 K CA 0.082 56.315 56.287 -0.090 0.000 1.060 141 K CB 0.609 32.963 32.500 -0.245 0.000 0.873 141 K HN 0.067 nan 8.250 nan 0.000 0.540 142 A N 1.107 123.882 122.820 -0.076 0.000 2.346 142 A HA 0.352 4.673 4.320 0.001 0.000 0.252 142 A C 0.038 177.630 177.584 0.013 0.000 1.089 142 A CA 0.451 52.472 52.037 -0.028 0.000 0.797 142 A CB 0.269 19.212 19.000 -0.093 0.000 1.047 142 A HN 0.073 nan 8.150 nan 0.000 0.494 143 T N 1.920 116.495 114.554 0.036 0.000 2.786 143 T HA 0.527 4.878 4.350 0.001 0.000 0.283 143 T C -1.004 173.699 174.700 0.005 0.000 0.992 143 T CA -0.494 61.624 62.100 0.031 0.000 0.954 143 T CB 0.761 69.663 68.868 0.057 0.000 0.934 143 T HN 0.773 nan 8.240 nan 0.000 0.440 144 D N 1.258 121.650 120.400 -0.013 0.000 2.547 144 D HA 0.698 5.339 4.640 0.001 0.000 0.231 144 D C -0.668 175.621 176.300 -0.019 0.000 1.099 144 D CA -0.593 53.394 54.000 -0.022 0.000 0.901 144 D CB 2.304 43.076 40.800 -0.048 0.000 1.478 144 D HN 0.455 nan 8.370 nan 0.000 0.471 145 T N -0.232 114.311 114.554 -0.018 0.000 2.786 145 T HA 0.420 4.771 4.350 0.001 0.000 0.316 145 T C -1.811 172.868 174.700 -0.034 0.000 1.503 145 T CA -0.635 61.449 62.100 -0.026 0.000 1.019 145 T CB 1.007 69.860 68.868 -0.026 0.000 1.415 145 T HN 0.234 nan 8.240 nan 0.000 0.496 146 L N 2.884 124.081 121.223 -0.044 0.000 2.312 146 L HA 0.581 4.921 4.340 0.001 0.000 0.281 146 L C -0.210 176.601 176.870 -0.097 0.000 1.070 146 L CA -0.530 54.277 54.840 -0.054 0.000 0.805 146 L CB 1.114 43.147 42.059 -0.043 0.000 1.174 146 L HN 0.547 nan 8.230 nan 0.000 0.434 147 I N 6.268 126.749 120.570 -0.147 0.000 2.337 147 I HA 0.235 4.405 4.170 0.001 0.000 0.285 147 I C -1.299 174.709 176.117 -0.183 0.000 1.041 147 I CA -1.921 59.212 61.300 -0.278 0.000 1.199 147 I CB 1.322 38.910 38.000 -0.686 0.000 1.370 147 I HN 0.447 nan 8.210 nan 0.000 0.470 148 P HA -0.022 nan 4.420 nan 0.000 0.222 148 P C 0.613 177.877 177.300 -0.060 0.000 1.147 148 P CA 0.948 64.003 63.100 -0.075 0.000 0.790 148 P CB 1.034 32.697 31.700 -0.062 0.000 0.780 149 G N -1.239 107.511 108.800 -0.084 0.000 2.489 149 G HA2 0.403 4.364 3.960 0.001 0.000 0.305 149 G HA3 0.403 4.364 3.960 0.001 0.000 0.305 149 G C -3.375 171.507 174.900 -0.030 0.000 1.311 149 G CA -0.950 44.128 45.100 -0.037 0.000 0.813 149 G HN -0.262 nan 8.290 nan 0.000 0.480 150 P HA 0.451 nan 4.420 nan 0.000 0.265 150 P C 0.406 177.710 177.300 0.007 0.000 1.187 150 P CA 1.310 64.430 63.100 0.033 0.000 0.766 150 P CB 1.066 32.775 31.700 0.015 0.000 0.820 151 G N 0.594 109.413 108.800 0.031 0.000 2.328 151 G HA2 0.393 4.354 3.960 0.001 0.000 0.299 151 G HA3 0.393 4.354 3.960 0.001 0.000 0.299 151 G C -1.127 173.809 174.900 0.062 0.000 1.435 151 G CA -0.503 44.605 45.100 0.015 0.000 0.865 151 G HN 0.535 nan 8.290 nan 0.000 0.601 152 S N -0.637 115.087 115.700 0.041 0.000 2.585 152 S HA 0.778 5.248 4.470 0.001 0.000 0.277 152 S C -0.161 174.505 174.600 0.109 0.000 1.241 152 S CA -0.721 57.516 58.200 0.062 0.000 1.041 152 S CB 1.770 64.987 63.200 0.028 0.000 0.987 152 S HN 1.110 nan 8.310 nan 0.000 0.512 153 L N 1.845 123.167 121.223 0.165 0.000 2.376 153 L HA 0.600 4.941 4.340 0.001 0.000 0.275 153 L C -1.020 175.933 176.870 0.138 0.000 0.987 153 L CA -0.324 54.632 54.840 0.193 0.000 0.828 153 L CB 1.583 43.874 42.059 0.387 0.000 1.249 153 L HN 0.915 nan 8.230 nan 0.000 0.409 154 E N 4.895 125.157 120.200 0.103 0.000 2.343 154 E HA 0.432 4.782 4.350 0.001 0.000 0.270 154 E C -1.319 175.334 176.600 0.087 0.000 0.895 154 E CA -0.831 55.621 56.400 0.087 0.000 0.767 154 E CB 3.322 33.062 29.700 0.067 0.000 1.248 154 E HN 0.472 nan 8.360 nan 0.000 0.440 155 L N 2.728 124.005 121.223 0.090 0.000 2.276 155 L HA 0.407 4.747 4.340 0.001 0.000 0.286 155 L C -1.248 175.685 176.870 0.105 0.000 1.024 155 L CA -0.799 54.100 54.840 0.098 0.000 0.826 155 L CB 1.166 43.286 42.059 0.101 0.000 1.211 155 L HN 0.324 nan 8.230 nan 0.000 0.422 156 V N 5.014 124.991 119.914 0.105 0.000 2.384 156 V HA 0.286 4.406 4.120 0.001 0.000 0.287 156 V C -0.824 175.366 176.094 0.160 0.000 1.020 156 V CA -0.651 61.714 62.300 0.109 0.000 0.850 156 V CB 1.592 33.454 31.823 0.065 0.000 0.987 156 V HN 0.486 nan 8.190 nan 0.000 0.436 157 Y N 5.029 125.345 120.300 0.028 0.000 2.393 157 Y HA 0.640 5.191 4.550 0.001 0.000 0.341 157 Y C -0.239 175.671 175.900 0.015 0.000 0.988 157 Y CA -1.423 56.690 58.100 0.022 0.000 1.078 157 Y CB 1.742 40.219 38.460 0.028 0.000 1.203 157 Y HN 0.575 nan 8.280 nan 0.000 0.453 158 K N 8.242 128.262 120.400 -0.634 0.000 2.572 158 K HA 0.324 4.645 4.320 0.001 0.000 0.244 158 K C -2.805 173.334 176.600 -0.769 0.000 0.965 158 K CA -1.947 53.987 56.287 -0.588 0.000 0.943 158 K CB 1.430 33.784 32.500 -0.242 0.000 1.154 158 K HN 0.479 nan 8.250 nan 0.000 0.447 159 P HA -0.001 nan 4.420 nan 0.000 0.265 159 P C 0.063 177.253 177.300 -0.184 0.000 1.193 159 P CA 0.075 62.915 63.100 -0.433 0.000 0.765 159 P CB 1.339 32.913 31.700 -0.210 0.000 0.823 160 S N 0.560 116.215 115.700 -0.074 0.000 2.423 160 S HA -0.101 4.369 4.470 0.001 0.000 0.231 160 S C 0.872 175.452 174.600 -0.034 0.000 1.014 160 S CA 1.113 59.287 58.200 -0.042 0.000 0.965 160 S CB -0.280 62.916 63.200 -0.007 0.000 0.785 160 S HN 0.651 nan 8.310 nan 0.000 0.495 161 D N 0.420 120.807 120.400 -0.022 0.000 2.438 161 D HA 0.244 4.885 4.640 0.001 0.000 0.257 161 D C -2.485 173.805 176.300 -0.017 0.000 1.148 161 D CA -2.077 51.915 54.000 -0.014 0.000 0.902 161 D CB 1.492 42.293 40.800 0.003 0.000 1.062 161 D HN -0.042 nan 8.370 nan 0.000 0.518 162 P HA -0.114 nan 4.420 nan 0.000 0.219 162 P C 1.514 178.808 177.300 -0.010 0.000 1.146 162 P CA 1.210 64.292 63.100 -0.029 0.000 0.808 162 P CB 0.144 31.822 31.700 -0.036 0.000 0.779 163 T N -4.618 109.932 114.554 -0.006 0.000 2.962 163 T HA -0.103 4.248 4.350 0.001 0.000 0.270 163 T C 1.557 176.262 174.700 0.007 0.000 1.088 163 T CA 1.863 63.964 62.100 0.000 0.000 1.127 163 T CB -1.192 67.676 68.868 -0.000 0.000 0.883 163 T HN 0.226 nan 8.240 nan 0.000 0.493 164 T N -1.007 113.555 114.554 0.012 0.000 3.085 164 T HA 0.632 4.983 4.350 0.001 0.000 0.241 164 T C 0.859 175.580 174.700 0.034 0.000 0.988 164 T CA 0.147 62.260 62.100 0.021 0.000 1.117 164 T CB -0.226 68.656 68.868 0.023 0.000 0.978 164 T HN 0.537 nan 8.240 nan 0.000 0.454 165 A N 1.901 124.747 122.820 0.044 0.000 2.312 165 A HA 0.737 5.058 4.320 0.001 0.000 0.328 165 A C -0.447 177.171 177.584 0.057 0.000 1.158 165 A CA -0.803 51.282 52.037 0.079 0.000 0.821 165 A CB 0.975 20.060 19.000 0.141 0.000 1.170 165 A HN 0.331 nan 8.150 nan 0.000 0.490 166 Q N 1.388 121.241 119.800 0.089 0.000 2.226 166 Q HA 0.484 4.825 4.340 0.001 0.000 0.256 166 Q C -2.394 173.647 176.000 0.068 0.000 0.962 166 Q CA -1.916 53.922 55.803 0.058 0.000 0.887 166 Q CB 1.341 30.117 28.738 0.063 0.000 1.282 166 Q HN 0.603 nan 8.270 nan 0.000 0.449 167 P HA 0.163 nan 4.420 nan 0.000 0.276 167 P C -1.009 176.350 177.300 0.098 0.000 1.261 167 P CA -0.279 62.794 63.100 -0.044 0.000 0.800 167 P CB 1.028 32.685 31.700 -0.072 0.000 1.066 168 Q N -0.489 119.398 119.800 0.144 0.000 2.289 168 Q HA 0.447 4.788 4.340 0.001 0.000 0.270 168 Q C -1.225 174.849 176.000 0.125 0.000 1.038 168 Q CA -0.420 55.486 55.803 0.171 0.000 0.812 168 Q CB 2.351 31.246 28.738 0.261 0.000 1.300 168 Q HN 0.328 nan 8.270 nan 0.000 0.427 169 T N 3.216 117.823 114.554 0.089 0.000 3.038 169 T HA 0.442 4.793 4.350 0.001 0.000 0.344 169 T C -0.665 174.075 174.700 0.068 0.000 1.054 169 T CA -0.439 61.704 62.100 0.072 0.000 1.092 169 T CB 0.200 69.097 68.868 0.049 0.000 1.031 169 T HN 0.314 nan 8.240 nan 0.000 0.482 170 L N 2.480 123.748 121.223 0.076 0.000 2.307 170 L HA 0.574 4.914 4.340 0.001 0.000 0.284 170 L C 0.171 177.083 176.870 0.069 0.000 1.023 170 L CA -1.185 53.697 54.840 0.070 0.000 0.810 170 L CB 1.493 43.597 42.059 0.075 0.000 1.231 170 L HN 0.269 nan 8.230 nan 0.000 0.423 171 K N 1.419 121.856 120.400 0.061 0.000 2.349 171 K HA 0.165 4.486 4.320 0.001 0.000 0.288 171 K C 0.604 177.252 176.600 0.081 0.000 1.058 171 K CA -0.152 56.174 56.287 0.065 0.000 0.953 171 K CB 1.437 33.966 32.500 0.047 0.000 0.997 171 K HN 0.379 nan 8.250 nan 0.000 0.477 172 V N 3.255 123.233 119.914 0.106 0.000 2.500 172 V HA 0.053 4.174 4.120 0.001 0.000 0.243 172 V C -0.207 175.996 176.094 0.182 0.000 1.039 172 V CA 0.502 62.875 62.300 0.121 0.000 1.053 172 V CB -0.380 31.522 31.823 0.131 0.000 0.695 172 V HN 0.733 nan 8.190 nan 0.000 0.463 173 Y N -0.751 119.546 120.300 -0.005 0.000 2.638 173 Y HA 0.376 4.927 4.550 0.001 0.000 0.334 173 Y C -2.121 173.766 175.900 -0.023 0.000 1.182 173 Y CA -1.741 56.303 58.100 -0.094 0.000 1.102 173 Y CB 1.369 39.650 38.460 -0.298 0.000 1.343 173 Y HN 0.039 nan 8.280 nan 0.000 0.463 174 D N 4.340 124.258 120.400 -0.803 0.000 2.464 174 D HA 0.203 4.843 4.640 0.001 0.000 0.243 174 D C -1.099 174.664 176.300 -0.896 0.000 1.104 174 D CA -0.079 53.599 54.000 -0.537 0.000 0.883 174 D CB 0.504 41.117 40.800 -0.312 0.000 1.050 174 D HN 0.341 nan 8.370 nan 0.000 0.524 175 Y N 1.265 121.233 120.300 -0.552 0.000 2.497 175 Y HA 0.043 4.594 4.550 0.001 0.000 0.334 175 Y C 1.589 177.388 175.900 -0.168 0.000 1.199 175 Y CA 0.063 57.998 58.100 -0.274 0.000 1.425 175 Y CB 0.730 39.194 38.460 0.006 0.000 1.291 175 Y HN 0.059 nan 8.280 nan 0.000 0.562 176 K N 1.033 121.467 120.400 0.057 0.000 2.387 176 K HA 0.375 4.695 4.320 0.001 0.000 0.203 176 K C 0.240 176.887 176.600 0.077 0.000 1.030 176 K CA 0.088 56.396 56.287 0.035 0.000 1.099 176 K CB 0.943 33.447 32.500 0.007 0.000 0.863 176 K HN 0.815 nan 8.250 nan 0.000 0.529 177 G N -0.833 108.054 108.800 0.145 0.000 2.548 177 G HA2 0.310 4.271 3.960 0.001 0.000 0.301 177 G HA3 0.310 4.271 3.960 0.001 0.000 0.301 177 G C -1.180 173.819 174.900 0.164 0.000 1.349 177 G CA -0.672 44.500 45.100 0.121 0.000 0.792 177 G HN -0.004 nan 8.290 nan 0.000 0.481 178 S N -1.187 114.572 115.700 0.099 0.000 2.585 178 S HA 0.785 5.256 4.470 0.001 0.000 0.273 178 S C 0.642 175.329 174.600 0.145 0.000 1.339 178 S CA 0.654 58.895 58.200 0.069 0.000 1.028 178 S CB 1.437 64.651 63.200 0.024 0.000 0.906 178 S HN 2.176 nan 8.310 nan 0.000 0.528 179 G N -0.087 108.779 108.800 0.111 0.000 2.588 179 G HA2 0.590 4.550 3.960 0.001 0.000 0.281 179 G HA3 0.590 4.550 3.960 0.001 0.000 0.281 179 G C -0.902 174.063 174.900 0.107 0.000 1.223 179 G CA -0.135 45.084 45.100 0.198 0.000 0.871 179 G HN 1.836 nan 8.290 nan 0.000 0.492 180 V N -3.174 116.846 119.914 0.177 0.000 3.078 180 V HA 1.016 5.136 4.120 0.001 0.000 0.311 180 V C -0.214 175.974 176.094 0.157 0.000 1.138 180 V CA -0.359 61.993 62.300 0.088 0.000 1.007 180 V CB 1.181 33.024 31.823 0.033 0.000 1.045 180 V HN 2.395 nan 8.190 nan 0.000 0.432 181 A N 4.161 127.034 122.820 0.088 0.000 2.587 181 A HA 1.041 5.362 4.320 0.001 0.000 0.293 181 A C -0.783 176.823 177.584 0.038 0.000 1.087 181 A CA -0.285 51.819 52.037 0.111 0.000 0.692 181 A CB 2.190 21.293 19.000 0.172 0.000 1.291 181 A HN 2.263 nan 8.150 nan 0.000 0.407 182 M N -0.097 119.519 119.600 0.027 0.000 2.603 182 M HA 0.870 5.350 4.480 0.001 0.000 0.275 182 M C -0.951 175.356 176.300 0.012 0.000 1.226 182 M CA -0.528 54.773 55.300 0.001 0.000 0.870 182 M CB 1.995 34.569 32.600 -0.044 0.000 1.716 182 M HN 1.844 nan 8.290 nan 0.000 0.482 183 A N 2.907 125.743 122.820 0.026 0.000 2.515 183 A HA 0.987 5.308 4.320 0.001 0.000 0.298 183 A C -0.997 176.635 177.584 0.080 0.000 1.059 183 A CA -0.815 51.258 52.037 0.060 0.000 0.698 183 A CB 1.966 21.023 19.000 0.096 0.000 1.289 183 A HN 1.189 nan 8.150 nan 0.000 0.404 184 M N 0.576 120.244 119.600 0.113 0.000 2.618 184 M HA 0.899 5.380 4.480 0.001 0.000 0.281 184 M C -1.159 175.341 176.300 0.333 0.000 1.267 184 M CA -0.783 54.595 55.300 0.130 0.000 0.845 184 M CB 1.996 34.581 32.600 -0.026 0.000 1.732 184 M HN 1.067 nan 8.290 nan 0.000 0.461 185 Y N -1.844 118.604 120.300 0.247 0.000 2.715 185 Y HA 0.867 5.418 4.550 0.001 0.000 0.331 185 Y C -1.562 174.496 175.900 0.263 0.000 1.197 185 Y CA -0.918 57.342 58.100 0.267 0.000 1.079 185 Y CB 1.607 40.154 38.460 0.145 0.000 1.298 185 Y HN 0.896 nan 8.280 nan 0.000 0.477 186 N N -0.871 118.024 118.700 0.326 0.000 3.127 186 N HA 0.397 5.138 4.740 0.001 0.000 0.239 186 N C -1.890 173.759 175.510 0.232 0.000 1.407 186 N CA -0.069 53.160 53.050 0.298 0.000 0.891 186 N CB 2.535 41.181 38.487 0.265 0.000 1.447 186 N HN 1.021 nan 8.380 nan 0.000 0.507 187 T N -1.612 113.063 114.554 0.202 0.000 2.912 187 T HA 0.416 4.766 4.350 0.001 0.000 0.288 187 T C 0.378 175.058 174.700 -0.034 0.000 1.030 187 T CA -0.446 61.694 62.100 0.066 0.000 1.020 187 T CB 1.547 70.454 68.868 0.065 0.000 1.056 187 T HN 0.224 nan 8.240 nan 0.000 0.480 188 D N 0.507 120.872 120.400 -0.059 0.000 2.117 188 D HA -0.100 4.540 4.640 0.001 0.000 0.197 188 D C 1.780 178.042 176.300 -0.063 0.000 0.987 188 D CA 1.453 55.402 54.000 -0.085 0.000 0.829 188 D CB -0.101 40.663 40.800 -0.060 0.000 0.961 188 D HN 0.884 nan 8.370 nan 0.000 0.460 189 E N 0.164 120.341 120.200 -0.038 0.000 2.058 189 E HA -0.201 4.149 4.350 0.001 0.000 0.194 189 E C 1.967 178.552 176.600 -0.024 0.000 0.997 189 E CA 1.320 57.705 56.400 -0.026 0.000 0.801 189 E CB -0.054 29.629 29.700 -0.028 0.000 0.746 189 E HN 0.064 nan 8.360 nan 0.000 0.450 190 S N -0.169 115.505 115.700 -0.042 0.000 2.368 190 S HA -0.120 4.351 4.470 0.001 0.000 0.225 190 S C 1.974 176.610 174.600 0.060 0.000 1.030 190 S CA 1.121 59.325 58.200 0.007 0.000 0.999 190 S CB -0.284 62.871 63.200 -0.076 0.000 0.844 190 S HN 0.332 nan 8.310 nan 0.000 0.459 191 I N 1.239 121.771 120.570 -0.063 0.000 2.226 191 I HA -0.164 4.006 4.170 0.001 0.000 0.245 191 I C 2.535 178.581 176.117 -0.118 0.000 1.100 191 I CA 1.424 62.601 61.300 -0.205 0.000 1.374 191 I CB -0.433 37.309 38.000 -0.429 0.000 1.057 191 I HN 0.398 nan 8.210 nan 0.000 0.413 192 E N 0.873 121.016 120.200 -0.095 0.000 2.077 192 E HA -0.178 4.173 4.350 0.001 0.000 0.193 192 E C 2.332 178.935 176.600 0.005 0.000 0.989 192 E CA 1.276 57.619 56.400 -0.095 0.000 0.800 192 E CB -0.384 29.326 29.700 0.017 0.000 0.746 192 E HN 0.601 nan 8.360 nan 0.000 0.452 193 G N 1.020 109.878 108.800 0.097 0.000 2.446 193 G HA2 -0.293 3.668 3.960 0.001 0.000 0.217 193 G HA3 -0.293 3.668 3.960 0.001 0.000 0.217 193 G C 1.390 176.369 174.900 0.133 0.000 1.168 193 G CA 0.563 45.752 45.100 0.149 0.000 0.771 193 G HN 0.310 nan 8.290 nan 0.000 0.551 194 F N 2.030 121.912 119.950 -0.112 0.000 2.091 194 F HA -0.113 4.415 4.527 0.001 0.000 0.299 194 F C 2.873 178.513 175.800 -0.266 0.000 1.103 194 F CA 1.257 59.182 58.000 -0.125 0.000 1.228 194 F CB 0.075 38.931 39.000 -0.240 0.000 0.984 194 F HN 0.275 nan 8.300 nan 0.000 0.477 195 A N 0.244 122.609 122.820 -0.758 0.000 1.858 195 A HA -0.233 4.087 4.320 0.001 0.000 0.216 195 A C 2.012 179.126 177.584 -0.783 0.000 1.190 195 A CA 1.755 52.798 52.037 -1.657 0.000 0.617 195 A CB -1.420 16.577 19.000 -1.672 0.000 0.827 195 A HN 0.575 nan 8.150 nan 0.000 0.443 196 H N 0.034 118.945 119.070 -0.264 0.000 2.319 196 H HA -0.095 4.462 4.556 0.001 0.000 0.297 196 H C 2.573 177.892 175.328 -0.016 0.000 1.097 196 H CA 1.845 57.871 56.048 -0.036 0.000 1.285 196 H CB -0.395 29.405 29.762 0.064 0.000 1.368 196 H HN 0.473 nan 8.280 nan 0.000 0.495 197 S N 0.116 115.910 115.700 0.157 0.000 2.383 197 S HA -0.091 4.380 4.470 0.001 0.000 0.227 197 S C 2.465 177.254 174.600 0.314 0.000 1.026 197 S CA 0.991 59.350 58.200 0.265 0.000 0.981 197 S CB -0.030 63.353 63.200 0.305 0.000 0.818 197 S HN 0.342 nan 8.310 nan 0.000 0.472 198 S N 1.201 116.965 115.700 0.108 0.000 2.368 198 S HA -0.013 4.458 4.470 0.001 0.000 0.225 198 S C 1.499 176.034 174.600 -0.108 0.000 1.030 198 S CA 1.103 59.336 58.200 0.056 0.000 0.999 198 S CB -0.391 62.675 63.200 -0.223 0.000 0.844 198 S HN 0.442 nan 8.310 nan 0.000 0.459 199 F N 1.944 121.780 119.950 -0.189 0.000 2.113 199 F HA 0.015 4.543 4.527 0.001 0.000 0.297 199 F C 2.253 178.010 175.800 -0.072 0.000 1.103 199 F CA 0.822 58.677 58.000 -0.241 0.000 1.248 199 F CB -0.541 37.796 39.000 -1.104 0.000 0.999 199 F HN 0.081 nan 8.300 nan 0.000 0.475 200 K N -0.087 120.387 120.400 0.124 0.000 2.063 200 K HA -0.169 4.151 4.320 0.001 0.000 0.208 200 K C 2.119 178.776 176.600 0.096 0.000 1.048 200 K CA 1.003 57.416 56.287 0.211 0.000 0.928 200 K CB -0.578 32.069 32.500 0.245 0.000 0.713 200 K HN 0.187 nan 8.250 nan 0.000 0.442 201 L N 1.175 122.414 121.223 0.027 0.000 2.046 201 L HA -0.133 4.208 4.340 0.001 0.000 0.208 201 L C 2.313 179.125 176.870 -0.096 0.000 1.077 201 L CA 1.754 56.514 54.840 -0.134 0.000 0.747 201 L CB -1.060 40.727 42.059 -0.452 0.000 0.896 201 L HN 0.145 nan 8.230 nan 0.000 0.432 202 A N 0.146 122.951 122.820 -0.026 0.000 1.908 202 A HA -0.225 4.096 4.320 0.001 0.000 0.218 202 A C 2.221 179.693 177.584 -0.186 0.000 1.181 202 A CA 1.868 53.869 52.037 -0.060 0.000 0.627 202 A CB -0.560 18.482 19.000 0.070 0.000 0.818 202 A HN 0.478 nan 8.150 nan 0.000 0.445 203 I N -0.591 119.887 120.570 -0.154 0.000 2.163 203 I HA -0.231 3.940 4.170 0.001 0.000 0.240 203 I C 2.339 178.407 176.117 -0.082 0.000 1.081 203 I CA 1.904 63.110 61.300 -0.157 0.000 1.353 203 I CB -0.466 37.541 38.000 0.012 0.000 1.054 203 I HN 0.388 nan 8.210 nan 0.000 0.407 204 D N 1.016 121.394 120.400 -0.036 0.000 2.149 204 D HA -0.201 4.440 4.640 0.001 0.000 0.198 204 D C 1.920 178.186 176.300 -0.056 0.000 0.990 204 D CA 1.384 55.365 54.000 -0.033 0.000 0.839 204 D CB 0.157 40.943 40.800 -0.022 0.000 0.948 204 D HN 0.051 nan 8.370 nan 0.000 0.460 205 K N -0.040 120.313 120.400 -0.078 0.000 2.374 205 K HA 0.062 4.383 4.320 0.001 0.000 0.196 205 K C 0.047 176.607 176.600 -0.066 0.000 1.023 205 K CA -0.015 56.227 56.287 -0.075 0.000 1.103 205 K CB 0.582 33.026 32.500 -0.093 0.000 0.848 205 K HN -0.033 nan 8.250 nan 0.000 0.528 206 K N 1.003 121.350 120.400 -0.089 0.000 3.451 206 K HA -0.159 4.161 4.320 0.001 0.000 0.273 206 K C -0.861 175.705 176.600 -0.058 0.000 0.944 206 K CA 0.504 56.736 56.287 -0.092 0.000 0.734 206 K CB -1.579 30.888 32.500 -0.054 0.000 1.437 206 K HN 0.172 nan 8.250 nan 0.000 0.454 207 L N -0.032 121.152 121.223 -0.066 0.000 2.393 207 L HA 0.457 4.798 4.340 0.001 0.000 0.260 207 L C 0.382 177.278 176.870 0.043 0.000 1.002 207 L CA -1.371 53.481 54.840 0.021 0.000 0.818 207 L CB 1.705 43.790 42.059 0.043 0.000 1.369 207 L HN 0.068 nan 8.230 nan 0.000 0.412 208 N N 1.752 120.529 118.700 0.128 0.000 2.479 208 N HA 0.310 5.050 4.740 0.001 0.000 0.257 208 N C -0.944 174.601 175.510 0.058 0.000 1.232 208 N CA -0.051 53.046 53.050 0.078 0.000 0.920 208 N CB 1.420 39.910 38.487 0.006 0.000 1.105 208 N HN 0.410 nan 8.380 nan 0.000 0.444 209 L N 2.522 123.750 121.223 0.009 0.000 2.333 209 L HA 0.470 4.811 4.340 0.001 0.000 0.280 209 L C -1.324 175.424 176.870 -0.203 0.000 1.004 209 L CA -0.648 54.253 54.840 0.101 0.000 0.820 209 L CB 0.552 42.834 42.059 0.372 0.000 1.247 209 L HN 0.388 nan 8.230 nan 0.000 0.416 210 F N 5.319 125.336 119.950 0.112 0.000 2.493 210 F HA 0.382 4.910 4.527 0.001 0.000 0.329 210 F C -0.185 175.579 175.800 -0.061 0.000 1.126 210 F CA -0.682 57.281 58.000 -0.062 0.000 0.937 210 F CB 1.828 40.742 39.000 -0.142 0.000 1.146 210 F HN 0.195 nan 8.300 nan 0.000 0.442 211 L N 3.566 124.790 121.223 0.002 0.000 2.282 211 L HA 0.600 4.940 4.340 0.001 0.000 0.288 211 L C -0.873 175.821 176.870 -0.294 0.000 1.033 211 L CA 0.086 54.825 54.840 -0.167 0.000 0.807 211 L CB 1.222 43.103 42.059 -0.296 0.000 1.209 211 L HN 0.557 nan 8.230 nan 0.000 0.423 212 S N 3.565 119.126 115.700 -0.232 0.000 2.478 212 S HA 0.787 5.258 4.470 0.001 0.000 0.312 212 S C 0.047 174.520 174.600 -0.212 0.000 1.094 212 S CA -0.511 57.521 58.200 -0.280 0.000 1.081 212 S CB 1.797 64.904 63.200 -0.155 0.000 1.007 212 S HN 0.834 nan 8.310 nan 0.000 0.475 213 T N -0.249 114.183 114.554 -0.204 0.000 2.696 213 T HA 0.590 4.940 4.350 0.001 0.000 0.291 213 T C -0.832 173.870 174.700 0.004 0.000 1.095 213 T CA -0.814 61.257 62.100 -0.049 0.000 1.026 213 T CB 1.266 70.196 68.868 0.104 0.000 1.390 213 T HN 0.218 nan 8.240 nan 0.000 0.513 214 K N 1.882 122.299 120.400 0.027 0.000 3.045 214 K HA 0.209 4.529 4.320 0.001 0.000 0.211 214 K C 1.168 177.805 176.600 0.062 0.000 1.141 214 K CA -0.348 55.957 56.287 0.031 0.000 1.036 214 K CB -0.123 32.375 32.500 -0.002 0.000 0.851 214 K HN 0.715 nan 8.250 nan 0.000 0.462 215 N N 0.074 118.841 118.700 0.113 0.000 2.519 215 N HA -0.143 4.598 4.740 0.001 0.000 0.186 215 N C 0.989 176.537 175.510 0.063 0.000 1.062 215 N CA 1.471 54.581 53.050 0.099 0.000 0.910 215 N CB -0.202 38.336 38.487 0.084 0.000 0.958 215 N HN 0.144 nan 8.380 nan 0.000 0.445 216 T N -2.302 112.286 114.554 0.055 0.000 2.985 216 T HA 0.076 4.426 4.350 0.001 0.000 0.266 216 T C 1.763 176.478 174.700 0.026 0.000 1.076 216 T CA 0.461 62.583 62.100 0.035 0.000 1.135 216 T CB -0.014 68.872 68.868 0.030 0.000 0.890 216 T HN 0.062 nan 8.240 nan 0.000 0.480 217 I N 0.163 120.748 120.570 0.024 0.000 3.172 217 I HA 0.379 4.550 4.170 0.001 0.000 0.278 217 I C 0.945 177.074 176.117 0.020 0.000 1.174 217 I CA 0.194 61.501 61.300 0.011 0.000 1.445 217 I CB 0.108 38.105 38.000 -0.006 0.000 1.175 217 I HN 0.174 nan 8.210 nan 0.000 0.447 218 L N 1.097 122.342 121.223 0.037 0.000 2.828 218 L HA 0.246 4.587 4.340 0.001 0.000 0.233 218 L C 1.290 178.226 176.870 0.110 0.000 1.250 218 L CA -0.145 54.736 54.840 0.068 0.000 1.125 218 L CB -0.087 42.006 42.059 0.056 0.000 1.432 218 L HN 0.076 nan 8.230 nan 0.000 0.444 219 K N 0.135 120.583 120.400 0.081 0.000 2.173 219 K HA -0.212 4.108 4.320 0.001 0.000 0.207 219 K C 1.500 178.159 176.600 0.098 0.000 1.046 219 K CA 1.512 57.844 56.287 0.076 0.000 0.929 219 K CB 0.074 32.604 32.500 0.051 0.000 0.720 219 K HN 0.457 nan 8.250 nan 0.000 0.453 220 K N -0.748 119.726 120.400 0.123 0.000 2.141 220 K HA -0.037 4.284 4.320 0.001 0.000 0.202 220 K C 2.051 178.763 176.600 0.187 0.000 1.045 220 K CA 0.551 56.913 56.287 0.126 0.000 0.971 220 K CB -0.228 32.335 32.500 0.106 0.000 0.795 220 K HN 0.019 nan 8.250 nan 0.000 0.459 221 Y N 2.839 123.209 120.300 0.117 0.000 2.070 221 Y HA -0.239 4.312 4.550 0.001 0.000 0.279 221 Y C 1.678 177.755 175.900 0.296 0.000 1.134 221 Y CA 1.911 60.123 58.100 0.186 0.000 1.113 221 Y CB -0.168 38.379 38.460 0.145 0.000 0.981 221 Y HN 0.052 nan 8.280 nan 0.000 0.487 222 D N -0.960 119.726 120.400 0.477 0.000 2.183 222 D HA -0.054 4.587 4.640 0.001 0.000 0.203 222 D C 2.301 178.793 176.300 0.319 0.000 0.969 222 D CA 1.249 55.463 54.000 0.356 0.000 0.842 222 D CB -0.746 40.155 40.800 0.167 0.000 0.957 222 D HN 0.501 nan 8.370 nan 0.000 0.484 223 G N 0.371 109.302 108.800 0.219 0.000 2.432 223 G HA2 -0.313 3.648 3.960 0.001 0.000 0.219 223 G HA3 -0.313 3.648 3.960 0.001 0.000 0.219 223 G C 1.787 176.774 174.900 0.146 0.000 1.135 223 G CA 0.550 45.728 45.100 0.130 0.000 0.767 223 G HN 0.146 nan 8.290 nan 0.000 0.550 224 R N -0.289 120.321 120.500 0.184 0.000 2.092 224 R HA 0.063 4.404 4.340 0.001 0.000 0.231 224 R C 2.142 178.517 176.300 0.125 0.000 1.119 224 R CA 0.980 57.141 56.100 0.102 0.000 0.970 224 R CB -0.630 29.675 30.300 0.008 0.000 0.864 224 R HN 0.361 nan 8.270 nan 0.000 0.440 225 F N 0.754 120.766 119.950 0.103 0.000 2.102 225 F HA -0.109 4.419 4.527 0.001 0.000 0.298 225 F C 2.309 178.186 175.800 0.128 0.000 1.105 225 F CA 1.825 59.906 58.000 0.135 0.000 1.239 225 F CB -0.498 38.555 39.000 0.089 0.000 0.991 225 F HN 0.046 nan 8.300 nan 0.000 0.474 226 K N 0.371 120.940 120.400 0.282 0.000 2.009 226 K HA -0.212 4.109 4.320 0.001 0.000 0.210 226 K C 1.730 178.432 176.600 0.171 0.000 1.049 226 K CA 2.129 58.510 56.287 0.156 0.000 0.929 226 K CB -0.263 32.149 32.500 -0.145 0.000 0.714 226 K HN 0.119 nan 8.250 nan 0.000 0.440 227 D N 0.644 121.116 120.400 0.121 0.000 2.117 227 D HA -0.140 4.501 4.640 0.001 0.000 0.198 227 D C 2.027 178.400 176.300 0.122 0.000 0.982 227 D CA 1.157 55.218 54.000 0.100 0.000 0.828 227 D CB -0.152 40.682 40.800 0.057 0.000 0.967 227 D HN 0.327 nan 8.370 nan 0.000 0.464 228 I N 0.112 120.759 120.570 0.128 0.000 2.179 228 I HA -0.258 3.912 4.170 0.001 0.000 0.242 228 I C 2.192 178.376 176.117 0.112 0.000 1.088 228 I CA 0.751 62.098 61.300 0.078 0.000 1.357 228 I CB -0.213 37.796 38.000 0.016 0.000 1.051 228 I HN -0.133 nan 8.210 nan 0.000 0.409 229 F N 1.096 121.048 119.950 0.005 0.000 2.069 229 F HA -0.297 4.230 4.527 0.001 0.000 0.298 229 F C 2.798 178.671 175.800 0.121 0.000 1.113 229 F CA 1.962 59.980 58.000 0.030 0.000 1.214 229 F CB -0.829 38.167 39.000 -0.007 0.000 0.978 229 F HN 0.054 nan 8.300 nan 0.000 0.474 230 Q N 0.603 120.630 119.800 0.379 0.000 2.135 230 Q HA -0.238 4.103 4.340 0.001 0.000 0.204 230 Q C 2.098 178.206 176.000 0.180 0.000 0.981 230 Q CA 2.073 58.074 55.803 0.329 0.000 0.856 230 Q CB -0.445 28.455 28.738 0.269 0.000 0.902 230 Q HN 0.558 nan 8.270 nan 0.000 0.425 231 E N -1.295 118.968 120.200 0.105 0.000 2.031 231 E HA -0.149 4.201 4.350 0.001 0.000 0.193 231 E C 1.810 178.390 176.600 -0.034 0.000 0.994 231 E CA 1.495 57.912 56.400 0.028 0.000 0.800 231 E CB 0.014 29.724 29.700 0.017 0.000 0.752 231 E HN 0.278 nan 8.360 nan 0.000 0.447 232 V N 0.735 120.608 119.914 -0.068 0.000 2.407 232 V HA -0.243 3.878 4.120 0.001 0.000 0.248 232 V C 2.090 178.037 176.094 -0.245 0.000 1.055 232 V CA 1.921 64.129 62.300 -0.154 0.000 1.049 232 V CB -0.727 30.928 31.823 -0.280 0.000 0.662 232 V HN 0.414 nan 8.190 nan 0.000 0.455 233 Y N 1.671 121.649 120.300 -0.536 0.000 2.049 233 Y HA -0.272 4.279 4.550 0.001 0.000 0.277 233 Y C 2.552 178.202 175.900 -0.415 0.000 1.143 233 Y CA 2.208 59.798 58.100 -0.850 0.000 1.115 233 Y CB -0.465 37.566 38.460 -0.714 0.000 0.975 233 Y HN 0.360 nan 8.280 nan 0.000 0.487 234 E N -0.212 119.781 120.200 -0.345 0.000 2.110 234 E HA -0.137 4.214 4.350 0.001 0.000 0.193 234 E C 1.677 178.104 176.600 -0.288 0.000 0.988 234 E CA 0.914 57.104 56.400 -0.350 0.000 0.804 234 E CB -0.308 29.319 29.700 -0.122 0.000 0.745 234 E HN 0.490 nan 8.360 nan 0.000 0.458 235 A N 0.187 122.878 122.820 -0.215 0.000 2.411 235 A HA 0.073 4.394 4.320 0.001 0.000 0.251 235 A C 1.340 178.797 177.584 -0.212 0.000 1.317 235 A CA 0.184 52.117 52.037 -0.173 0.000 0.904 235 A CB 0.159 19.095 19.000 -0.106 0.000 0.993 235 A HN 0.190 nan 8.150 nan 0.000 0.504 236 Q N -3.421 116.192 119.800 -0.312 0.000 1.654 236 Q HA 0.051 4.391 4.340 0.001 0.000 0.164 236 Q C -0.030 175.566 176.000 -0.672 0.000 0.649 236 Q CA 0.279 55.809 55.803 -0.455 0.000 0.708 236 Q CB 0.340 28.804 28.738 -0.456 0.000 1.177 236 Q HN 0.588 nan 8.270 nan 0.000 0.367 237 Y N -0.322 119.714 120.300 -0.440 0.000 2.432 237 Y HA 0.339 4.890 4.550 0.001 0.000 0.252 237 Y C 1.636 177.301 175.900 -0.392 0.000 1.097 237 Y CA 0.046 57.956 58.100 -0.316 0.000 1.250 237 Y CB 0.528 38.803 38.460 -0.308 0.000 1.245 237 Y HN -0.075 nan 8.280 nan 0.000 0.522 238 K N 1.130 121.087 120.400 -0.739 0.000 2.074 238 K HA -0.220 4.101 4.320 0.001 0.000 0.209 238 K C 2.237 178.710 176.600 -0.212 0.000 1.048 238 K CA 2.022 57.822 56.287 -0.812 0.000 0.926 238 K CB -0.047 31.932 32.500 -0.869 0.000 0.713 238 K HN 0.381 nan 8.250 nan 0.000 0.444 239 S N 0.554 116.158 115.700 -0.161 0.000 2.356 239 S HA -0.136 4.335 4.470 0.001 0.000 0.223 239 S C 1.802 176.415 174.600 0.023 0.000 1.032 239 S CA 0.821 58.983 58.200 -0.064 0.000 1.005 239 S CB -0.253 62.895 63.200 -0.085 0.000 0.867 239 S HN 0.172 nan 8.310 nan 0.000 0.449 240 K N 0.975 121.420 120.400 0.075 0.000 2.009 240 K HA 0.024 4.344 4.320 0.001 0.000 0.210 240 K C 1.802 178.498 176.600 0.161 0.000 1.049 240 K CA 1.221 57.579 56.287 0.118 0.000 0.929 240 K CB -1.025 31.579 32.500 0.174 0.000 0.714 240 K HN 0.450 nan 8.250 nan 0.000 0.440 241 F N 2.122 122.103 119.950 0.052 0.000 2.091 241 F HA -0.190 4.338 4.527 0.001 0.000 0.299 241 F C 2.357 178.142 175.800 -0.026 0.000 1.103 241 F CA 1.467 59.508 58.000 0.068 0.000 1.228 241 F CB -0.487 38.636 39.000 0.205 0.000 0.984 241 F HN 0.215 nan 8.300 nan 0.000 0.477 242 E N -0.575 119.716 120.200 0.152 0.000 2.110 242 E HA -0.274 4.076 4.350 0.001 0.000 0.193 242 E C 2.171 178.780 176.600 0.014 0.000 0.988 242 E CA 1.131 57.550 56.400 0.033 0.000 0.804 242 E CB -0.367 29.345 29.700 0.020 0.000 0.745 242 E HN 0.527 nan 8.360 nan 0.000 0.458 243 Q N 0.485 120.298 119.800 0.022 0.000 2.084 243 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 243 Q C 1.738 177.737 176.000 -0.000 0.000 0.978 243 Q CA 1.029 56.837 55.803 0.008 0.000 0.844 243 Q CB 0.167 28.909 28.738 0.006 0.000 0.898 243 Q HN 0.164 nan 8.270 nan 0.000 0.426 244 L N -0.806 120.409 121.223 -0.012 0.000 2.558 244 L HA 0.226 4.567 4.340 0.001 0.000 0.225 244 L C 1.315 178.175 176.870 -0.017 0.000 1.128 244 L CA 1.107 55.930 54.840 -0.028 0.000 0.868 244 L CB 0.148 42.163 42.059 -0.073 0.000 1.006 244 L HN 0.392 nan 8.230 nan 0.000 0.454 245 G N 0.453 109.242 108.800 -0.017 0.000 2.147 245 G HA2 -0.274 3.687 3.960 0.001 0.000 0.244 245 G HA3 -0.274 3.687 3.960 0.001 0.000 0.244 245 G C 0.428 175.333 174.900 0.009 0.000 1.005 245 G CA 0.548 45.647 45.100 -0.001 0.000 0.713 245 G HN 0.454 nan 8.290 nan 0.000 0.515 246 I N -2.906 117.636 120.570 -0.046 0.000 2.793 246 I HA 0.911 5.081 4.170 0.001 0.000 0.313 246 I C 0.169 176.319 176.117 0.055 0.000 0.998 246 I CA -1.479 59.854 61.300 0.055 0.000 1.140 246 I CB 1.256 39.190 38.000 -0.110 0.000 1.327 246 I HN 0.013 nan 8.210 nan 0.000 0.491 247 H N 1.100 120.317 119.070 0.245 0.000 2.821 247 H HA 0.523 5.080 4.556 0.001 0.000 0.373 247 H C -1.636 173.799 175.328 0.179 0.000 1.165 247 H CA -0.484 55.718 56.048 0.257 0.000 1.154 247 H CB 1.766 31.561 29.762 0.056 0.000 1.765 247 H HN 0.630 nan 8.280 nan 0.000 0.549 248 Y N 0.857 121.135 120.300 -0.037 0.000 2.393 248 Y HA 0.550 5.101 4.550 0.001 0.000 0.341 248 Y C -0.864 174.837 175.900 -0.332 0.000 0.988 248 Y CA -0.831 57.058 58.100 -0.352 0.000 1.078 248 Y CB 1.634 39.535 38.460 -0.932 0.000 1.203 248 Y HN 0.792 nan 8.280 nan 0.000 0.453 249 E N 4.363 123.777 120.200 -1.310 0.000 2.354 249 E HA 0.156 4.506 4.350 0.001 0.000 0.283 249 E C -2.029 174.140 176.600 -0.718 0.000 0.938 249 E CA -0.789 55.081 56.400 -0.882 0.000 0.777 249 E CB 1.043 30.532 29.700 -0.352 0.000 1.222 249 E HN 0.844 nan 8.360 nan 0.000 0.423 250 H N 4.544 123.297 119.070 -0.528 0.000 2.487 250 H HA 0.541 5.098 4.556 0.001 0.000 0.333 250 H C -0.930 174.328 175.328 -0.117 0.000 1.114 250 H CA 0.074 55.971 56.048 -0.253 0.000 1.310 250 H CB 0.833 30.514 29.762 -0.135 0.000 1.462 250 H HN 0.563 nan 8.280 nan 0.000 0.516 251 R N 3.254 123.356 120.500 -0.664 0.000 2.739 251 R HA 0.216 4.557 4.340 0.001 0.000 0.271 251 R C -1.060 174.998 176.300 -0.403 0.000 1.010 251 R CA -1.325 54.579 56.100 -0.327 0.000 0.897 251 R CB 1.851 32.042 30.300 -0.181 0.000 1.236 251 R HN 0.339 nan 8.270 nan 0.000 0.466 252 L N 2.472 123.612 121.223 -0.138 0.000 2.410 252 L HA 0.075 4.416 4.340 0.001 0.000 0.273 252 L C 1.275 178.079 176.870 -0.110 0.000 1.144 252 L CA 0.261 55.056 54.840 -0.076 0.000 0.863 252 L CB 0.523 42.574 42.059 -0.014 0.000 1.140 252 L HN 0.798 nan 8.230 nan 0.000 0.463 253 I N 2.995 123.505 120.570 -0.099 0.000 2.236 253 I HA -0.327 3.844 4.170 0.001 0.000 0.249 253 I C 1.486 177.566 176.117 -0.063 0.000 1.102 253 I CA 1.857 63.107 61.300 -0.082 0.000 1.365 253 I CB -0.263 37.706 38.000 -0.053 0.000 1.051 253 I HN 0.893 nan 8.210 nan 0.000 0.420 254 D N 0.772 121.143 120.400 -0.048 0.000 2.106 254 D HA -0.217 4.424 4.640 0.001 0.000 0.191 254 D C 1.886 178.156 176.300 -0.051 0.000 0.997 254 D CA 1.931 55.908 54.000 -0.038 0.000 0.834 254 D CB -0.431 40.352 40.800 -0.029 0.000 0.956 254 D HN 0.465 nan 8.370 nan 0.000 0.448 255 D N -0.283 120.077 120.400 -0.067 0.000 2.097 255 D HA -0.126 4.515 4.640 0.001 0.000 0.197 255 D C 2.019 178.245 176.300 -0.123 0.000 0.984 255 D CA 0.614 54.563 54.000 -0.085 0.000 0.826 255 D CB -0.340 40.407 40.800 -0.088 0.000 0.973 255 D HN 0.101 nan 8.370 nan 0.000 0.460 256 M N 1.653 121.161 119.600 -0.153 0.000 2.088 256 M HA -0.209 4.272 4.480 0.001 0.000 0.256 256 M C 2.270 178.485 176.300 -0.141 0.000 1.071 256 M CA 1.562 56.735 55.300 -0.212 0.000 1.097 256 M CB -0.651 31.836 32.600 -0.189 0.000 1.315 256 M HN 0.028 nan 8.290 nan 0.000 0.406 257 V N -1.387 118.487 119.914 -0.067 0.000 2.407 257 V HA -0.114 4.007 4.120 0.001 0.000 0.248 257 V C 2.345 178.445 176.094 0.010 0.000 1.055 257 V CA 1.777 64.075 62.300 -0.004 0.000 1.049 257 V CB -2.423 29.404 31.823 0.006 0.000 0.662 257 V HN 0.550 nan 8.190 nan 0.000 0.455 258 A N 0.141 122.946 122.820 -0.025 0.000 1.873 258 A HA -0.242 4.079 4.320 0.001 0.000 0.215 258 A C 2.395 179.967 177.584 -0.020 0.000 1.186 258 A CA 1.987 54.013 52.037 -0.018 0.000 0.616 258 A CB -0.692 18.287 19.000 -0.034 0.000 0.823 258 A HN 0.688 nan 8.150 nan 0.000 0.442 259 Q N -0.884 118.869 119.800 -0.078 0.000 2.124 259 Q HA -0.206 4.134 4.340 0.001 0.000 0.202 259 Q C 2.078 178.046 176.000 -0.053 0.000 0.977 259 Q CA 1.854 57.584 55.803 -0.122 0.000 0.850 259 Q CB -0.226 28.348 28.738 -0.273 0.000 0.901 259 Q HN 0.721 nan 8.270 nan 0.000 0.429 260 M N 0.058 119.659 119.600 0.000 0.000 2.067 260 M HA -0.185 4.296 4.480 0.001 0.000 0.260 260 M C 1.756 178.320 176.300 0.440 0.000 1.069 260 M CA 1.455 56.888 55.300 0.223 0.000 1.117 260 M CB -0.085 32.648 32.600 0.221 0.000 1.334 260 M HN 0.303 nan 8.290 nan 0.000 0.407 261 I N 0.670 121.435 120.570 0.325 0.000 2.423 261 I HA -0.278 3.892 4.170 0.001 0.000 0.254 261 I C 2.265 178.476 176.117 0.158 0.000 1.151 261 I CA 1.552 63.000 61.300 0.246 0.000 1.421 261 I CB -1.236 36.806 38.000 0.070 0.000 1.079 261 I HN 0.478 nan 8.210 nan 0.000 0.431 262 K N 0.761 121.246 120.400 0.141 0.000 2.356 262 K HA -0.007 4.314 4.320 0.001 0.000 0.195 262 K C 1.317 177.999 176.600 0.138 0.000 1.037 262 K CA 0.144 56.481 56.287 0.084 0.000 1.014 262 K CB 0.382 32.899 32.500 0.028 0.000 0.815 262 K HN 0.357 nan 8.250 nan 0.000 0.507 263 S N 0.147 115.989 115.700 0.237 0.000 2.625 263 S HA 0.150 4.621 4.470 0.001 0.000 0.262 263 S C 0.514 175.316 174.600 0.336 0.000 1.223 263 S CA -0.455 57.895 58.200 0.250 0.000 0.993 263 S CB 0.866 64.242 63.200 0.294 0.000 1.051 263 S HN 0.174 nan 8.310 nan 0.000 0.562 264 K N 0.286 120.847 120.400 0.268 0.000 2.414 264 K HA 0.365 4.686 4.320 0.001 0.000 0.204 264 K C 0.920 177.590 176.600 0.116 0.000 1.026 264 K CA 0.222 56.646 56.287 0.228 0.000 1.108 264 K CB 0.089 32.680 32.500 0.151 0.000 0.855 264 K HN 0.934 nan 8.250 nan 0.000 0.517 265 G N 0.978 109.791 108.800 0.020 0.000 2.645 265 G HA2 -0.122 3.838 3.960 0.001 0.000 0.239 265 G HA3 -0.122 3.838 3.960 0.001 0.000 0.239 265 G C 0.338 175.123 174.900 -0.192 0.000 1.331 265 G CA -0.242 44.630 45.100 -0.381 0.000 0.890 265 G HN 0.565 nan 8.290 nan 0.000 0.572 266 G N -2.340 106.243 108.800 -0.361 0.000 2.370 266 G HA2 0.446 4.407 3.960 0.001 0.000 0.268 266 G HA3 0.446 4.407 3.960 0.001 0.000 0.268 266 G C 0.081 175.027 174.900 0.076 0.000 1.122 266 G CA 0.939 45.984 45.100 -0.092 0.000 0.963 266 G HN 2.483 nan 8.290 nan 0.000 0.500 267 F N -2.579 117.406 119.950 0.058 0.000 2.799 267 F HA 0.753 5.281 4.527 0.001 0.000 0.316 267 F C -0.819 175.049 175.800 0.113 0.000 1.155 267 F CA -2.391 55.689 58.000 0.133 0.000 0.916 267 F CB 0.766 39.950 39.000 0.307 0.000 1.294 267 F HN 0.091 nan 8.300 nan 0.000 0.447 268 I N 2.486 123.312 120.570 0.426 0.000 2.377 268 I HA 0.475 4.645 4.170 0.001 0.000 0.293 268 I C -0.718 175.666 176.117 0.445 0.000 0.987 268 I CA -0.726 60.760 61.300 0.311 0.000 1.185 268 I CB 1.872 39.996 38.000 0.206 0.000 1.341 268 I HN 0.551 nan 8.210 nan 0.000 0.455 269 M N 5.879 125.694 119.600 0.359 0.000 2.036 269 M HA 0.436 4.916 4.480 0.001 0.000 0.337 269 M C -0.173 176.277 176.300 0.249 0.000 1.012 269 M CA -0.477 55.011 55.300 0.314 0.000 0.962 269 M CB 1.491 34.247 32.600 0.260 0.000 1.423 269 M HN 0.670 nan 8.290 nan 0.000 0.405 270 A N 5.729 128.679 122.820 0.216 0.000 2.404 270 A HA 0.705 5.025 4.320 0.001 0.000 0.273 270 A C -0.628 177.096 177.584 0.233 0.000 1.144 270 A CA -0.119 52.060 52.037 0.237 0.000 0.806 270 A CB 0.131 19.108 19.000 -0.038 0.000 1.080 270 A HN 0.883 nan 8.150 nan 0.000 0.509 271 L N 2.354 123.810 121.223 0.388 0.000 2.388 271 L HA 0.420 4.760 4.340 0.001 0.000 0.264 271 L C 0.129 177.123 176.870 0.206 0.000 0.998 271 L CA -0.935 54.033 54.840 0.213 0.000 0.817 271 L CB 2.228 44.341 42.059 0.091 0.000 1.338 271 L HN 0.702 nan 8.230 nan 0.000 0.414 272 K N 0.964 121.415 120.400 0.084 0.000 2.336 272 K HA 0.002 4.323 4.320 0.001 0.000 0.262 272 K C 0.841 177.449 176.600 0.014 0.000 0.992 272 K CA -0.275 56.030 56.287 0.030 0.000 0.927 272 K CB 0.388 32.814 32.500 -0.123 0.000 0.956 272 K HN 0.465 nan 8.250 nan 0.000 0.495 273 N N 1.253 119.952 118.700 -0.001 0.000 2.058 273 N HA -0.291 4.450 4.740 0.001 0.000 0.200 273 N C 1.652 177.183 175.510 0.036 0.000 1.033 273 N CA 1.943 54.933 53.050 -0.100 0.000 0.880 273 N CB -0.390 38.016 38.487 -0.136 0.000 1.069 273 N HN 0.595 nan 8.380 nan 0.000 0.461 274 Y N 1.759 122.145 120.300 0.143 0.000 2.114 274 Y HA -0.156 4.394 4.550 0.001 0.000 0.284 274 Y C 2.100 178.043 175.900 0.073 0.000 1.143 274 Y CA 1.971 60.192 58.100 0.202 0.000 1.135 274 Y CB -0.639 37.888 38.460 0.112 0.000 0.980 274 Y HN 0.138 nan 8.280 nan 0.000 0.499 275 D N -0.470 119.903 120.400 -0.044 0.000 2.117 275 D HA -0.161 4.479 4.640 0.001 0.000 0.197 275 D C 2.328 178.552 176.300 -0.126 0.000 0.987 275 D CA 1.540 55.456 54.000 -0.139 0.000 0.829 275 D CB -0.781 40.003 40.800 -0.026 0.000 0.961 275 D HN 0.551 nan 8.370 nan 0.000 0.460 276 G N 0.795 109.551 108.800 -0.072 0.000 2.422 276 G HA2 -0.284 3.676 3.960 0.001 0.000 0.218 276 G HA3 -0.284 3.676 3.960 0.001 0.000 0.218 276 G C 1.462 176.308 174.900 -0.091 0.000 1.146 276 G CA 0.896 45.960 45.100 -0.059 0.000 0.769 276 G HN 0.166 nan 8.290 nan 0.000 0.547 277 D N 0.327 120.650 120.400 -0.129 0.000 2.084 277 D HA -0.109 4.532 4.640 0.001 0.000 0.194 277 D C 2.740 178.966 176.300 -0.124 0.000 0.990 277 D CA 1.126 55.059 54.000 -0.111 0.000 0.826 277 D CB -0.384 40.392 40.800 -0.041 0.000 0.971 277 D HN 0.163 nan 8.370 nan 0.000 0.453 278 V N 0.934 120.705 119.914 -0.239 0.000 2.307 278 V HA -0.194 3.927 4.120 0.001 0.000 0.245 278 V C 2.562 178.597 176.094 -0.098 0.000 1.045 278 V CA 1.436 63.609 62.300 -0.211 0.000 1.024 278 V CB -0.548 31.056 31.823 -0.365 0.000 0.651 278 V HN 0.228 nan 8.190 nan 0.000 0.449 279 Q N -0.147 119.604 119.800 -0.082 0.000 2.224 279 Q HA -0.100 4.241 4.340 0.001 0.000 0.203 279 Q C 2.500 178.515 176.000 0.026 0.000 0.970 279 Q CA 1.522 57.320 55.803 -0.007 0.000 0.865 279 Q CB -0.620 28.122 28.738 0.006 0.000 0.922 279 Q HN 0.612 nan 8.270 nan 0.000 0.445 280 S N 1.460 117.161 115.700 0.003 0.000 2.383 280 S HA -0.144 4.327 4.470 0.001 0.000 0.229 280 S C 1.236 175.860 174.600 0.040 0.000 1.030 280 S CA 1.421 59.632 58.200 0.018 0.000 1.002 280 S CB -0.107 63.091 63.200 -0.003 0.000 0.829 280 S HN 0.355 nan 8.310 nan 0.000 0.467 281 D N 0.858 121.276 120.400 0.031 0.000 2.234 281 D HA 0.113 4.754 4.640 0.001 0.000 0.205 281 D C 1.703 178.049 176.300 0.077 0.000 0.962 281 D CA 0.467 54.495 54.000 0.046 0.000 0.855 281 D CB -0.122 40.695 40.800 0.027 0.000 0.951 281 D HN 0.347 nan 8.370 nan 0.000 0.500 282 I N -0.189 120.434 120.570 0.089 0.000 2.233 282 I HA -0.184 3.987 4.170 0.001 0.000 0.243 282 I C 2.157 178.430 176.117 0.260 0.000 1.093 282 I CA 0.533 61.912 61.300 0.132 0.000 1.380 282 I CB -0.026 38.049 38.000 0.125 0.000 1.067 282 I HN -0.096 nan 8.210 nan 0.000 0.413 283 V N 1.096 121.179 119.914 0.282 0.000 2.295 283 V HA -0.282 3.839 4.120 0.001 0.000 0.246 283 V C 2.711 179.079 176.094 0.457 0.000 1.049 283 V CA 2.008 64.555 62.300 0.412 0.000 1.024 283 V CB -0.942 30.972 31.823 0.153 0.000 0.648 283 V HN 0.477 nan 8.190 nan 0.000 0.447 284 A N -0.531 122.429 122.820 0.232 0.000 1.877 284 A HA -0.305 4.015 4.320 0.001 0.000 0.216 284 A C 2.173 179.871 177.584 0.190 0.000 1.186 284 A CA 2.234 54.370 52.037 0.165 0.000 0.620 284 A CB -0.578 18.459 19.000 0.061 0.000 0.822 284 A HN 0.528 nan 8.150 nan 0.000 0.443 285 Q N -0.124 119.768 119.800 0.153 0.000 2.119 285 Q HA -0.018 4.323 4.340 0.001 0.000 0.201 285 Q C 1.923 177.986 176.000 0.104 0.000 0.972 285 Q CA 1.981 57.843 55.803 0.098 0.000 0.847 285 Q CB -0.966 27.807 28.738 0.058 0.000 0.903 285 Q HN 0.514 nan 8.270 nan 0.000 0.433 286 G N -1.010 107.900 108.800 0.185 0.000 2.422 286 G HA2 -0.238 3.722 3.960 0.001 0.000 0.218 286 G HA3 -0.238 3.722 3.960 0.001 0.000 0.218 286 G C 0.938 175.884 174.900 0.076 0.000 1.146 286 G CA 0.627 45.743 45.100 0.026 0.000 0.769 286 G HN 0.415 nan 8.290 nan 0.000 0.547 287 F N 0.713 120.819 119.950 0.261 0.000 2.748 287 F HA 0.294 4.821 4.527 0.001 0.000 0.299 287 F C 2.102 177.938 175.800 0.059 0.000 1.154 287 F CA 0.939 59.049 58.000 0.184 0.000 1.446 287 F CB 0.733 39.811 39.000 0.130 0.000 1.112 287 F HN 0.336 nan 8.300 nan 0.000 0.584 288 G N -1.503 107.397 108.800 0.166 0.000 4.220 288 G HA2 0.013 3.974 3.960 0.001 0.000 0.197 288 G HA3 0.013 3.974 3.960 0.001 0.000 0.197 288 G C -0.072 174.845 174.900 0.027 0.000 1.518 288 G CA 0.142 45.284 45.100 0.071 0.000 0.955 288 G HN 0.301 nan 8.290 nan 0.000 0.353 289 S N -0.838 114.872 115.700 0.016 0.000 2.537 289 S HA 0.583 5.054 4.470 0.001 0.000 0.271 289 S C 0.831 175.392 174.600 -0.066 0.000 1.148 289 S CA -0.201 57.978 58.200 -0.035 0.000 0.868 289 S CB 1.208 64.358 63.200 -0.083 0.000 1.115 289 S HN 0.500 nan 8.310 nan 0.000 0.461 290 L N 2.992 124.176 121.223 -0.066 0.000 2.191 290 L HA 0.079 4.420 4.340 0.001 0.000 0.212 290 L C 2.421 179.107 176.870 -0.307 0.000 1.103 290 L CA 1.560 56.358 54.840 -0.070 0.000 0.769 290 L CB -0.499 41.595 42.059 0.058 0.000 0.908 290 L HN 0.907 nan 8.230 nan 0.000 0.438 291 G N -0.514 107.922 108.800 -0.606 0.000 2.848 291 G HA2 0.054 4.015 3.960 0.001 0.000 0.208 291 G HA3 0.054 4.015 3.960 0.001 0.000 0.208 291 G C 0.847 175.487 174.900 -0.432 0.000 1.152 291 G CA -0.124 44.378 45.100 -0.996 0.000 0.789 291 G HN 0.227 nan 8.290 nan 0.000 0.531 292 L N 0.692 121.745 121.223 -0.282 0.000 2.709 292 L HA 0.598 4.938 4.340 0.001 0.000 0.236 292 L C -0.455 176.293 176.870 -0.204 0.000 1.266 292 L CA -0.365 54.333 54.840 -0.236 0.000 0.987 292 L CB 0.767 42.720 42.059 -0.177 0.000 1.306 292 L HN 0.082 nan 8.230 nan 0.000 0.467 293 M N 1.249 120.737 119.600 -0.187 0.000 2.413 293 M HA 0.427 4.908 4.480 0.001 0.000 0.287 293 M C -0.414 175.840 176.300 -0.077 0.000 1.186 293 M CA -0.169 55.053 55.300 -0.130 0.000 0.927 293 M CB 2.314 34.869 32.600 -0.074 0.000 1.715 293 M HN 0.181 nan 8.290 nan 0.000 0.478 294 T N -0.005 114.521 114.554 -0.046 0.000 2.945 294 T HA 0.869 5.220 4.350 0.001 0.000 0.286 294 T C -0.577 174.155 174.700 0.053 0.000 1.025 294 T CA -0.820 61.302 62.100 0.038 0.000 1.039 294 T CB 1.582 70.501 68.868 0.086 0.000 1.068 294 T HN 0.677 nan 8.240 nan 0.000 0.497 295 S N 1.017 116.767 115.700 0.082 0.000 2.668 295 S HA 0.623 5.094 4.470 0.001 0.000 0.277 295 S C -1.391 173.269 174.600 0.099 0.000 1.170 295 S CA -0.867 57.379 58.200 0.077 0.000 0.994 295 S CB 0.362 63.589 63.200 0.045 0.000 1.051 295 S HN 0.854 nan 8.310 nan 0.000 0.484 296 I N 5.426 126.077 120.570 0.135 0.000 2.534 296 I HA 0.537 4.708 4.170 0.001 0.000 0.288 296 I C -1.273 174.938 176.117 0.156 0.000 1.077 296 I CA -0.951 60.448 61.300 0.165 0.000 1.051 296 I CB 1.466 39.599 38.000 0.222 0.000 1.234 296 I HN 0.722 nan 8.210 nan 0.000 0.425 297 L N 8.402 129.689 121.223 0.108 0.000 2.292 297 L HA 0.669 5.010 4.340 0.001 0.000 0.284 297 L C -1.413 175.504 176.870 0.078 0.000 1.065 297 L CA -0.392 54.470 54.840 0.037 0.000 0.806 297 L CB 1.338 43.390 42.059 -0.012 0.000 1.175 297 L HN 0.417 nan 8.230 nan 0.000 0.431 298 V N 2.940 122.868 119.914 0.024 0.000 2.789 298 V HA 0.458 4.578 4.120 0.001 0.000 0.311 298 V C 0.158 176.184 176.094 -0.113 0.000 1.073 298 V CA -0.578 61.691 62.300 -0.052 0.000 0.921 298 V CB 2.333 34.274 31.823 0.197 0.000 1.009 298 V HN 0.886 nan 8.190 nan 0.000 0.426 299 T N 1.628 116.049 114.554 -0.223 0.000 2.902 299 T HA 0.430 4.781 4.350 0.001 0.000 0.280 299 T C -1.974 172.674 174.700 -0.087 0.000 0.992 299 T CA -1.914 60.106 62.100 -0.134 0.000 1.015 299 T CB 1.766 70.544 68.868 -0.150 0.000 1.044 299 T HN 0.406 nan 8.240 nan 0.000 0.520 300 P HA -0.087 nan 4.420 nan 0.000 0.216 300 P C 1.016 178.300 177.300 -0.027 0.000 1.150 300 P CA 1.139 64.244 63.100 0.009 0.000 0.837 300 P CB -0.130 31.580 31.700 0.017 0.000 0.786 301 D N -1.424 118.939 120.400 -0.061 0.000 2.350 301 D HA -0.006 4.635 4.640 0.001 0.000 0.216 301 D C 1.367 177.644 176.300 -0.040 0.000 0.968 301 D CA 1.015 54.980 54.000 -0.058 0.000 0.894 301 D CB -1.312 39.452 40.800 -0.061 0.000 0.909 301 D HN 0.213 nan 8.370 nan 0.000 0.520 302 G N 1.000 109.757 108.800 -0.071 0.000 2.160 302 G HA2 -0.362 3.598 3.960 0.001 0.000 0.251 302 G HA3 -0.362 3.598 3.960 0.001 0.000 0.251 302 G C 0.674 175.551 174.900 -0.039 0.000 1.008 302 G CA 0.660 45.737 45.100 -0.039 0.000 0.724 302 G HN 0.659 nan 8.290 nan 0.000 0.514 303 K N -1.345 118.963 120.400 -0.153 0.000 2.477 303 K HA 0.347 4.667 4.320 0.001 0.000 0.208 303 K C 0.087 176.626 176.600 -0.101 0.000 1.117 303 K CA 0.150 56.422 56.287 -0.025 0.000 1.039 303 K CB 0.861 33.370 32.500 0.015 0.000 0.937 303 K HN 0.180 nan 8.250 nan 0.000 0.570 304 T N 1.303 115.598 114.554 -0.432 0.000 2.848 304 T HA 0.602 4.952 4.350 0.001 0.000 0.285 304 T C -1.447 172.874 174.700 -0.630 0.000 0.995 304 T CA -0.434 61.486 62.100 -0.301 0.000 0.970 304 T CB 0.830 69.595 68.868 -0.171 0.000 0.976 304 T HN 0.085 nan 8.240 nan 0.000 0.441 305 F N 1.139 121.116 119.950 0.045 0.000 2.591 305 F HA 0.490 5.018 4.527 0.001 0.000 0.309 305 F C 0.080 175.897 175.800 0.028 0.000 1.098 305 F CA -0.918 57.111 58.000 0.047 0.000 0.937 305 F CB 2.052 41.087 39.000 0.059 0.000 1.250 305 F HN 0.420 nan 8.300 nan 0.000 0.447 306 E N 1.944 122.262 120.200 0.196 0.000 2.325 306 E HA 0.279 4.630 4.350 0.001 0.000 0.248 306 E C -1.490 175.168 176.600 0.097 0.000 0.912 306 E CA -0.262 56.197 56.400 0.099 0.000 0.782 306 E CB 1.678 31.395 29.700 0.028 0.000 1.264 306 E HN 0.524 nan 8.360 nan 0.000 0.417 307 S N 4.211 119.961 115.700 0.082 0.000 2.439 307 S HA 0.154 4.625 4.470 0.001 0.000 0.282 307 S C -0.435 174.196 174.600 0.051 0.000 1.170 307 S CA -0.522 57.723 58.200 0.075 0.000 1.054 307 S CB 0.470 63.703 63.200 0.055 0.000 0.956 307 S HN 0.578 nan 8.310 nan 0.000 0.490 308 E N 3.325 123.560 120.200 0.058 0.000 2.227 308 E HA 0.686 5.037 4.350 0.001 0.000 0.268 308 E C -0.754 175.897 176.600 0.085 0.000 0.907 308 E CA -1.299 55.123 56.400 0.037 0.000 0.786 308 E CB 1.560 31.255 29.700 -0.008 0.000 1.191 308 E HN 0.521 nan 8.360 nan 0.000 0.411 309 A N 2.281 125.159 122.820 0.096 0.000 2.444 309 A HA 0.412 4.733 4.320 0.001 0.000 0.287 309 A C 0.595 178.239 177.584 0.099 0.000 1.195 309 A CA 0.189 52.322 52.037 0.159 0.000 0.858 309 A CB -0.294 18.822 19.000 0.193 0.000 1.117 309 A HN 0.702 nan 8.150 nan 0.000 0.521 310 A N 3.149 126.035 122.820 0.110 0.000 2.840 310 A HA 0.393 4.714 4.320 0.001 0.000 0.269 310 A C 0.279 177.955 177.584 0.155 0.000 1.439 310 A CA 0.094 52.184 52.037 0.088 0.000 1.083 310 A CB -0.684 18.351 19.000 0.059 0.000 1.019 310 A HN 0.905 nan 8.150 nan 0.000 0.607 311 H N -0.721 118.361 119.070 0.021 0.000 3.239 311 H HA 0.458 5.015 4.556 0.001 0.000 0.320 311 H C 0.499 175.835 175.328 0.013 0.000 1.074 311 H CA -0.312 55.747 56.048 0.018 0.000 1.553 311 H CB 0.294 30.073 29.762 0.028 0.000 1.752 311 H HN 0.326 nan 8.280 nan 0.000 0.513 312 G N 2.658 111.372 108.800 -0.143 0.000 2.464 312 G HA2 0.139 4.100 3.960 0.001 0.000 0.231 312 G HA3 0.139 4.100 3.960 0.001 0.000 0.231 312 G C 0.252 174.996 174.900 -0.260 0.000 1.267 312 G CA 0.286 45.280 45.100 -0.176 0.000 0.863 312 G HN 0.613 nan 8.290 nan 0.000 0.559 313 T N -0.212 114.243 114.554 -0.166 0.000 2.904 313 T HA 0.384 4.734 4.350 0.001 0.000 0.290 313 T C 0.082 174.704 174.700 -0.130 0.000 1.018 313 T CA -0.507 61.515 62.100 -0.130 0.000 1.075 313 T CB 0.737 69.533 68.868 -0.119 0.000 0.986 313 T HN 0.330 nan 8.240 nan 0.000 0.523 314 V N 5.585 125.440 119.914 -0.099 0.000 2.334 314 V HA 0.221 4.342 4.120 0.001 0.000 0.281 314 V C 1.503 177.518 176.094 -0.131 0.000 1.016 314 V CA -0.511 61.673 62.300 -0.193 0.000 0.832 314 V CB 1.124 32.669 31.823 -0.463 0.000 0.999 314 V HN 1.123 nan 8.190 nan 0.000 0.439 315 T N 3.889 118.400 114.554 -0.071 0.000 2.778 315 T HA -0.201 4.150 4.350 0.001 0.000 0.269 315 T C 1.998 176.739 174.700 0.067 0.000 1.050 315 T CA 1.809 63.936 62.100 0.044 0.000 1.137 315 T CB -0.172 68.723 68.868 0.046 0.000 0.860 315 T HN 0.642 nan 8.240 nan 0.000 0.468 316 R N 0.393 120.851 120.500 -0.070 0.000 2.096 316 R HA -0.136 4.205 4.340 0.001 0.000 0.240 316 R C 2.377 178.709 176.300 0.054 0.000 1.139 316 R CA 1.606 57.674 56.100 -0.054 0.000 0.952 316 R CB -0.612 29.591 30.300 -0.161 0.000 0.854 316 R HN 0.517 nan 8.270 nan 0.000 0.436 317 H N -0.510 118.625 119.070 0.108 0.000 2.387 317 H HA -0.156 4.401 4.556 0.001 0.000 0.299 317 H C 1.856 177.313 175.328 0.215 0.000 1.090 317 H CA 1.316 57.443 56.048 0.131 0.000 1.332 317 H CB -0.737 29.087 29.762 0.103 0.000 1.386 317 H HN 0.368 nan 8.280 nan 0.000 0.516 318 Y N 1.725 122.139 120.300 0.189 0.000 2.181 318 Y HA -0.244 4.307 4.550 0.001 0.000 0.288 318 Y C 3.033 179.060 175.900 0.212 0.000 1.146 318 Y CA 1.590 59.797 58.100 0.179 0.000 1.164 318 Y CB 0.078 38.600 38.460 0.104 0.000 0.982 318 Y HN 0.007 nan 8.280 nan 0.000 0.515 319 R N 0.806 121.383 120.500 0.129 0.000 2.083 319 R HA -0.206 4.134 4.340 0.001 0.000 0.237 319 R C 2.120 178.429 176.300 0.016 0.000 1.137 319 R CA 2.155 58.269 56.100 0.024 0.000 0.951 319 R CB -0.185 30.159 30.300 0.074 0.000 0.851 319 R HN 0.310 nan 8.270 nan 0.000 0.434 320 K N -0.796 119.657 120.400 0.089 0.000 2.097 320 K HA -0.213 4.108 4.320 0.001 0.000 0.206 320 K C 2.016 178.655 176.600 0.064 0.000 1.049 320 K CA 1.608 57.944 56.287 0.081 0.000 0.933 320 K CB -0.326 32.252 32.500 0.129 0.000 0.717 320 K HN 0.267 nan 8.250 nan 0.000 0.442 321 Y N 2.351 122.648 120.300 -0.005 0.000 2.163 321 Y HA -0.228 4.323 4.550 0.001 0.000 0.288 321 Y C 2.156 177.998 175.900 -0.096 0.000 1.136 321 Y CA 1.559 59.650 58.100 -0.017 0.000 1.147 321 Y CB -0.003 38.483 38.460 0.042 0.000 0.987 321 Y HN 0.072 nan 8.280 nan 0.000 0.509 322 Q N 0.086 119.813 119.800 -0.121 0.000 2.170 322 Q HA -0.180 4.160 4.340 0.001 0.000 0.203 322 Q C 1.597 177.501 176.000 -0.161 0.000 0.976 322 Q CA 1.568 57.254 55.803 -0.195 0.000 0.858 322 Q CB -0.174 28.404 28.738 -0.267 0.000 0.907 322 Q HN 0.471 nan 8.270 nan 0.000 0.433 323 K N -0.360 119.968 120.400 -0.120 0.000 2.505 323 K HA 0.079 4.400 4.320 0.001 0.000 0.192 323 K C 0.802 177.341 176.600 -0.102 0.000 1.025 323 K CA 0.410 56.646 56.287 -0.085 0.000 1.086 323 K CB 0.355 32.829 32.500 -0.043 0.000 0.840 323 K HN 0.334 nan 8.250 nan 0.000 0.514 324 G N 1.967 110.661 108.800 -0.177 0.000 2.168 324 G HA2 -0.302 3.658 3.960 0.001 0.000 0.257 324 G HA3 -0.302 3.658 3.960 0.001 0.000 0.257 324 G C -0.366 174.469 174.900 -0.107 0.000 0.997 324 G CA 0.261 45.253 45.100 -0.179 0.000 0.708 324 G HN 0.434 nan 8.290 nan 0.000 0.520 325 E N 0.616 120.774 120.200 -0.070 0.000 2.318 325 E HA 0.432 4.783 4.350 0.001 0.000 0.265 325 E C 0.685 177.295 176.600 0.017 0.000 1.069 325 E CA -0.377 56.015 56.400 -0.012 0.000 0.893 325 E CB 0.747 30.456 29.700 0.014 0.000 1.076 325 E HN 0.704 nan 8.360 nan 0.000 0.414 326 E N 0.696 120.922 120.200 0.044 0.000 2.398 326 E HA 0.158 4.509 4.350 0.001 0.000 0.263 326 E C -0.488 176.172 176.600 0.099 0.000 1.046 326 E CA -0.370 56.075 56.400 0.076 0.000 0.908 326 E CB 0.704 30.454 29.700 0.084 0.000 0.963 326 E HN 0.487 nan 8.360 nan 0.000 0.431 327 T N -0.996 113.626 114.554 0.112 0.000 2.883 327 T HA 0.478 4.829 4.350 0.001 0.000 0.296 327 T C -0.406 174.309 174.700 0.024 0.000 1.117 327 T CA -1.040 61.102 62.100 0.069 0.000 1.006 327 T CB 1.770 70.710 68.868 0.121 0.000 1.191 327 T HN 0.336 nan 8.240 nan 0.000 0.508 328 S N 0.887 116.517 115.700 -0.117 0.000 2.359 328 S HA 0.446 4.917 4.470 0.001 0.000 0.148 328 S C -0.712 173.731 174.600 -0.262 0.000 1.610 328 S CA -0.515 57.601 58.200 -0.140 0.000 1.274 328 S CB -0.189 62.871 63.200 -0.233 0.000 1.380 328 S HN 0.845 nan 8.310 nan 0.000 0.380 329 T N 3.270 117.702 114.554 -0.203 0.000 2.767 329 T HA 0.323 4.673 4.350 0.001 0.000 0.288 329 T C 0.118 174.761 174.700 -0.095 0.000 0.963 329 T CA -0.462 61.520 62.100 -0.198 0.000 1.019 329 T CB 0.736 69.531 68.868 -0.122 0.000 0.923 329 T HN 0.511 nan 8.240 nan 0.000 0.468 330 N N 1.730 120.372 118.700 -0.096 0.000 2.483 330 N HA 0.024 4.765 4.740 0.001 0.000 0.264 330 N C 0.924 176.440 175.510 0.011 0.000 1.197 330 N CA -0.064 52.900 53.050 -0.143 0.000 0.927 330 N CB 0.668 39.068 38.487 -0.145 0.000 1.065 330 N HN 0.613 nan 8.380 nan 0.000 0.461 331 S N 2.559 118.282 115.700 0.038 0.000 2.559 331 S HA 0.198 4.668 4.470 0.001 0.000 0.226 331 S C 1.783 176.533 174.600 0.250 0.000 1.000 331 S CA -0.454 57.867 58.200 0.201 0.000 0.948 331 S CB -0.280 63.086 63.200 0.276 0.000 0.870 331 S HN 0.587 nan 8.310 nan 0.000 0.497 332 I N 2.225 122.903 120.570 0.179 0.000 2.208 332 I HA -0.205 3.966 4.170 0.001 0.000 0.245 332 I C 3.023 179.267 176.117 0.212 0.000 1.097 332 I CA 1.450 62.880 61.300 0.217 0.000 1.363 332 I CB -0.633 37.395 38.000 0.047 0.000 1.051 332 I HN 0.465 nan 8.210 nan 0.000 0.413 333 A N 0.214 123.108 122.820 0.124 0.000 1.908 333 A HA -0.209 4.112 4.320 0.001 0.000 0.218 333 A C 2.504 180.269 177.584 0.301 0.000 1.181 333 A CA 2.288 54.415 52.037 0.150 0.000 0.627 333 A CB -0.751 18.326 19.000 0.128 0.000 0.818 333 A HN 0.394 nan 8.150 nan 0.000 0.445 334 S N -0.228 115.683 115.700 0.352 0.000 2.368 334 S HA -0.103 4.367 4.470 0.001 0.000 0.225 334 S C 1.804 176.683 174.600 0.465 0.000 1.030 334 S CA 1.447 59.942 58.200 0.491 0.000 0.999 334 S CB -0.487 63.035 63.200 0.537 0.000 0.844 334 S HN 0.543 nan 8.310 nan 0.000 0.459 335 I N 0.217 121.014 120.570 0.377 0.000 2.226 335 I HA -0.181 3.990 4.170 0.001 0.000 0.245 335 I C 1.840 178.132 176.117 0.291 0.000 1.100 335 I CA 1.302 62.775 61.300 0.289 0.000 1.374 335 I CB -0.347 37.794 38.000 0.235 0.000 1.057 335 I HN 0.206 nan 8.210 nan 0.000 0.413 336 F N 0.963 120.997 119.950 0.139 0.000 2.293 336 F HA -0.103 4.425 4.527 0.001 0.000 0.300 336 F C 2.554 178.422 175.800 0.113 0.000 1.086 336 F CA 1.039 59.096 58.000 0.095 0.000 1.375 336 F CB -0.763 38.273 39.000 0.060 0.000 1.045 336 F HN -0.012 nan 8.300 nan 0.000 0.516 337 A N -0.824 122.187 122.820 0.319 0.000 1.908 337 A HA -0.217 4.104 4.320 0.001 0.000 0.218 337 A C 2.036 179.669 177.584 0.082 0.000 1.181 337 A CA 1.569 53.727 52.037 0.202 0.000 0.627 337 A CB -1.338 17.827 19.000 0.274 0.000 0.818 337 A HN 0.510 nan 8.150 nan 0.000 0.445 338 W N 0.916 122.231 121.300 0.027 0.000 2.378 338 W HA -0.181 4.480 4.660 0.001 0.000 0.313 338 W C 3.109 179.590 176.519 -0.063 0.000 1.197 338 W CA 2.336 59.644 57.345 -0.061 0.000 1.304 338 W CB -0.553 28.801 29.460 -0.177 0.000 1.148 338 W HN 0.463 nan 8.180 nan 0.000 0.494 339 S N 0.342 116.109 115.700 0.111 0.000 2.359 339 S HA -0.204 4.267 4.470 0.001 0.000 0.224 339 S C 1.931 176.497 174.600 -0.056 0.000 1.035 339 S CA 1.103 59.262 58.200 -0.069 0.000 1.018 339 S CB -0.587 62.413 63.200 -0.333 0.000 0.876 339 S HN 0.109 nan 8.310 nan 0.000 0.448 340 R N 1.594 122.075 120.500 -0.032 0.000 2.096 340 R HA 0.073 4.413 4.340 0.001 0.000 0.235 340 R C 2.685 178.968 176.300 -0.028 0.000 1.127 340 R CA 1.382 57.471 56.100 -0.018 0.000 0.968 340 R CB -1.802 28.527 30.300 0.048 0.000 0.861 340 R HN 0.617 nan 8.270 nan 0.000 0.440 341 G N 0.979 109.780 108.800 0.002 0.000 2.404 341 G HA2 -0.186 3.775 3.960 0.001 0.000 0.215 341 G HA3 -0.186 3.775 3.960 0.001 0.000 0.215 341 G C 1.610 176.509 174.900 -0.001 0.000 1.174 341 G CA 0.290 45.384 45.100 -0.010 0.000 0.780 341 G HN 0.205 nan 8.290 nan 0.000 0.537 342 L N -0.082 121.172 121.223 0.052 0.000 2.141 342 L HA 0.031 4.372 4.340 0.001 0.000 0.209 342 L C 2.876 179.757 176.870 0.019 0.000 1.094 342 L CA 0.313 55.202 54.840 0.081 0.000 0.763 342 L CB -0.378 41.780 42.059 0.166 0.000 0.908 342 L HN 0.178 nan 8.230 nan 0.000 0.437 343 L N -0.372 120.834 121.223 -0.030 0.000 2.046 343 L HA -0.215 4.126 4.340 0.001 0.000 0.208 343 L C 2.761 179.560 176.870 -0.117 0.000 1.077 343 L CA 1.161 55.961 54.840 -0.066 0.000 0.747 343 L CB -0.433 41.572 42.059 -0.089 0.000 0.896 343 L HN 0.209 nan 8.230 nan 0.000 0.432 344 K N -0.217 120.061 120.400 -0.203 0.000 2.097 344 K HA -0.180 4.140 4.320 0.001 0.000 0.205 344 K C 2.131 178.620 176.600 -0.185 0.000 1.050 344 K CA 1.060 57.120 56.287 -0.379 0.000 0.938 344 K CB -0.370 31.678 32.500 -0.752 0.000 0.718 344 K HN 0.085 nan 8.250 nan 0.000 0.442 345 R N 0.768 121.226 120.500 -0.070 0.000 2.070 345 R HA -0.080 4.261 4.340 0.001 0.000 0.233 345 R C 2.277 178.587 176.300 0.017 0.000 1.137 345 R CA 2.049 58.158 56.100 0.014 0.000 0.945 345 R CB -1.158 29.173 30.300 0.051 0.000 0.845 345 R HN 0.289 nan 8.270 nan 0.000 0.430 346 G N -0.145 108.661 108.800 0.010 0.000 2.422 346 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 346 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 346 G C 1.244 176.147 174.900 0.005 0.000 1.146 346 G CA 0.822 45.933 45.100 0.018 0.000 0.769 346 G HN 0.465 nan 8.290 nan 0.000 0.547 347 E N -0.118 120.067 120.200 -0.024 0.000 2.072 347 E HA -0.009 4.341 4.350 0.001 0.000 0.191 347 E C 2.561 179.167 176.600 0.010 0.000 0.985 347 E CA 0.492 56.879 56.400 -0.022 0.000 0.801 347 E CB -0.161 29.500 29.700 -0.065 0.000 0.750 347 E HN 0.379 nan 8.360 nan 0.000 0.452 348 L N 0.996 122.231 121.223 0.020 0.000 2.141 348 L HA -0.161 4.179 4.340 0.001 0.000 0.209 348 L C 1.415 178.320 176.870 0.059 0.000 1.094 348 L CA 0.772 55.653 54.840 0.067 0.000 0.763 348 L CB -0.123 42.002 42.059 0.111 0.000 0.908 348 L HN 0.074 nan 8.230 nan 0.000 0.437 349 D N -0.767 119.661 120.400 0.047 0.000 2.350 349 D HA -0.043 4.598 4.640 0.001 0.000 0.213 349 D C 0.340 176.660 176.300 0.033 0.000 1.031 349 D CA 0.170 54.197 54.000 0.045 0.000 0.861 349 D CB -0.143 40.685 40.800 0.047 0.000 0.926 349 D HN 0.186 nan 8.370 nan 0.000 0.520 350 N N 0.688 119.405 118.700 0.028 0.000 2.727 350 N HA -0.166 4.574 4.740 0.001 0.000 0.251 350 N C -1.314 174.209 175.510 0.021 0.000 1.040 350 N CA 0.600 53.663 53.050 0.022 0.000 0.712 350 N CB -1.588 36.912 38.487 0.021 0.000 0.912 350 N HN -0.114 nan 8.380 nan 0.000 0.545 351 T N 1.505 116.073 114.554 0.023 0.000 3.253 351 T HA 0.275 4.626 4.350 0.001 0.000 0.391 351 T C -1.409 173.308 174.700 0.028 0.000 1.527 351 T CA -0.826 61.288 62.100 0.025 0.000 1.268 351 T CB 1.494 70.380 68.868 0.029 0.000 1.126 351 T HN 0.171 nan 8.240 nan 0.000 0.620 352 P HA -0.174 nan 4.420 nan 0.000 0.218 352 P C 1.522 178.847 177.300 0.042 0.000 1.146 352 P CA 0.839 63.955 63.100 0.026 0.000 0.813 352 P CB 0.262 31.974 31.700 0.019 0.000 0.778 353 A N 0.372 123.220 122.820 0.047 0.000 1.902 353 A HA -0.147 4.173 4.320 0.001 0.000 0.217 353 A C 2.431 180.083 177.584 0.113 0.000 1.181 353 A CA 1.224 53.304 52.037 0.071 0.000 0.623 353 A CB -1.566 17.462 19.000 0.047 0.000 0.818 353 A HN 0.165 nan 8.150 nan 0.000 0.443 354 L N -0.486 120.794 121.223 0.096 0.000 2.017 354 L HA -0.225 4.115 4.340 0.001 0.000 0.208 354 L C 2.647 179.602 176.870 0.141 0.000 1.073 354 L CA 1.938 56.860 54.840 0.137 0.000 0.745 354 L CB -0.515 41.600 42.059 0.094 0.000 0.894 354 L HN 0.540 nan 8.230 nan 0.000 0.432 355 C N -0.235 119.107 119.300 0.071 0.000 2.413 355 C HA -0.217 4.243 4.460 0.001 0.000 0.276 355 C C 2.787 177.789 174.990 0.020 0.000 1.248 355 C CA 1.124 60.158 59.018 0.028 0.000 1.742 355 C CB -0.819 26.924 27.740 0.005 0.000 2.017 355 C HN 0.471 nan 8.230 nan 0.000 0.481 356 K N -0.036 120.393 120.400 0.049 0.000 2.026 356 K HA -0.197 4.124 4.320 0.001 0.000 0.208 356 K C 1.933 178.552 176.600 0.033 0.000 1.048 356 K CA 1.692 58.001 56.287 0.036 0.000 0.929 356 K CB -0.422 32.117 32.500 0.064 0.000 0.713 356 K HN 0.444 nan 8.250 nan 0.000 0.439 357 F N 1.378 121.308 119.950 -0.034 0.000 2.095 357 F HA -0.202 4.326 4.527 0.001 0.000 0.298 357 F C 1.995 177.723 175.800 -0.119 0.000 1.104 357 F CA 1.585 59.541 58.000 -0.074 0.000 1.232 357 F CB -0.725 38.261 39.000 -0.023 0.000 0.987 357 F HN 0.106 nan 8.300 nan 0.000 0.475 358 A N 0.717 123.436 122.820 -0.169 0.000 1.892 358 A HA -0.266 4.054 4.320 0.001 0.000 0.218 358 A C 2.155 179.526 177.584 -0.355 0.000 1.188 358 A CA 2.094 53.961 52.037 -0.283 0.000 0.631 358 A CB -1.056 17.885 19.000 -0.098 0.000 0.822 358 A HN 0.568 nan 8.150 nan 0.000 0.447 359 N N 0.239 118.794 118.700 -0.241 0.000 2.142 359 N HA -0.159 4.582 4.740 0.001 0.000 0.186 359 N C 1.705 177.058 175.510 -0.262 0.000 1.023 359 N CA 1.909 54.828 53.050 -0.217 0.000 0.852 359 N CB -0.594 37.817 38.487 -0.126 0.000 0.998 359 N HN 0.715 nan 8.380 nan 0.000 0.424 360 I N -0.680 119.714 120.570 -0.293 0.000 2.394 360 I HA -0.098 4.072 4.170 0.001 0.000 0.251 360 I C 2.154 178.027 176.117 -0.405 0.000 1.136 360 I CA 1.066 62.187 61.300 -0.299 0.000 1.425 360 I CB -0.831 37.008 38.000 -0.267 0.000 1.079 360 I HN 0.011 nan 8.210 nan 0.000 0.425 361 L N 0.604 121.463 121.223 -0.607 0.000 2.046 361 L HA -0.197 4.143 4.340 0.001 0.000 0.208 361 L C 2.682 179.293 176.870 -0.431 0.000 1.077 361 L CA 1.819 56.291 54.840 -0.614 0.000 0.747 361 L CB -0.305 41.285 42.059 -0.783 0.000 0.896 361 L HN 0.380 nan 8.230 nan 0.000 0.432 362 E N -0.440 119.478 120.200 -0.471 0.000 2.047 362 E HA -0.203 4.148 4.350 0.001 0.000 0.191 362 E C 2.194 178.714 176.600 -0.134 0.000 0.987 362 E CA 1.563 57.668 56.400 -0.491 0.000 0.799 362 E CB -0.128 29.198 29.700 -0.624 0.000 0.752 362 E HN 0.612 nan 8.360 nan 0.000 0.449 363 S N 1.390 117.010 115.700 -0.134 0.000 2.368 363 S HA -0.069 4.401 4.470 0.001 0.000 0.224 363 S C 2.341 176.906 174.600 -0.059 0.000 1.029 363 S CA 0.836 59.003 58.200 -0.056 0.000 0.988 363 S CB -0.257 62.899 63.200 -0.072 0.000 0.838 363 S HN 0.278 nan 8.310 nan 0.000 0.462 364 A N 1.756 124.501 122.820 -0.126 0.000 1.940 364 A HA -0.061 4.260 4.320 0.001 0.000 0.219 364 A C 2.414 179.943 177.584 -0.091 0.000 1.176 364 A CA 2.202 54.161 52.037 -0.129 0.000 0.631 364 A CB -1.657 17.222 19.000 -0.201 0.000 0.814 364 A HN 0.585 nan 8.150 nan 0.000 0.446 365 T N 0.251 114.773 114.554 -0.054 0.000 2.770 365 T HA -0.019 4.332 4.350 0.001 0.000 0.263 365 T C 1.837 176.628 174.700 0.151 0.000 1.039 365 T CA 1.383 63.512 62.100 0.049 0.000 1.142 365 T CB -0.327 68.648 68.868 0.178 0.000 0.868 365 T HN 0.369 nan 8.240 nan 0.000 0.435 366 L N 1.155 122.479 121.223 0.169 0.000 2.027 366 L HA -0.073 4.268 4.340 0.001 0.000 0.206 366 L C 2.519 179.446 176.870 0.094 0.000 1.074 366 L CA 0.949 55.880 54.840 0.153 0.000 0.745 366 L CB -0.649 41.501 42.059 0.153 0.000 0.898 366 L HN 0.186 nan 8.230 nan 0.000 0.433 367 N N -0.422 118.308 118.700 0.049 0.000 2.272 367 N HA -0.146 4.594 4.740 0.001 0.000 0.185 367 N C 1.788 177.314 175.510 0.027 0.000 1.014 367 N CA 1.582 54.647 53.050 0.025 0.000 0.870 367 N CB -0.495 37.989 38.487 -0.005 0.000 0.975 367 N HN 0.284 nan 8.380 nan 0.000 0.433 368 T N 0.460 115.025 114.554 0.019 0.000 2.720 368 T HA -0.051 4.300 4.350 0.001 0.000 0.268 368 T C 2.082 176.844 174.700 0.102 0.000 1.037 368 T CA 0.931 63.034 62.100 0.004 0.000 1.144 368 T CB -0.094 68.696 68.868 -0.130 0.000 0.864 368 T HN 0.008 nan 8.240 nan 0.000 0.444 369 V N 0.819 120.834 119.914 0.169 0.000 2.331 369 V HA -0.073 4.048 4.120 0.001 0.000 0.242 369 V C 2.519 178.671 176.094 0.097 0.000 1.034 369 V CA 1.419 63.824 62.300 0.175 0.000 1.027 369 V CB -0.581 31.348 31.823 0.177 0.000 0.667 369 V HN 0.303 nan 8.190 nan 0.000 0.457 370 Q N 0.685 120.532 119.800 0.077 0.000 1.967 370 Q HA -0.256 4.084 4.340 0.001 0.000 0.202 370 Q C 2.249 178.273 176.000 0.041 0.000 0.985 370 Q CA 2.529 58.363 55.803 0.052 0.000 0.839 370 Q CB -0.393 28.373 28.738 0.046 0.000 0.906 370 Q HN 0.650 nan 8.270 nan 0.000 0.423 371 Q N -1.190 118.631 119.800 0.034 0.000 2.250 371 Q HA -0.052 4.289 4.340 0.001 0.000 0.200 371 Q C 0.690 176.703 176.000 0.022 0.000 0.941 371 Q CA 1.306 57.122 55.803 0.023 0.000 0.872 371 Q CB 0.298 29.043 28.738 0.012 0.000 0.965 371 Q HN 0.410 nan 8.270 nan 0.000 0.480 372 D N -1.084 119.332 120.400 0.027 0.000 2.354 372 D HA 0.129 4.770 4.640 0.001 0.000 0.209 372 D C 0.735 177.061 176.300 0.043 0.000 1.015 372 D CA 0.897 54.912 54.000 0.026 0.000 0.867 372 D CB 0.489 41.297 40.800 0.013 0.000 0.933 372 D HN 0.412 nan 8.370 nan 0.000 0.520 373 G N 1.304 110.140 108.800 0.059 0.000 2.203 373 G HA2 -0.306 3.654 3.960 0.001 0.000 0.263 373 G HA3 -0.306 3.654 3.960 0.001 0.000 0.263 373 G C 0.237 175.195 174.900 0.097 0.000 1.012 373 G CA 0.009 45.151 45.100 0.070 0.000 0.749 373 G HN 0.372 nan 8.290 nan 0.000 0.512 374 I N 1.041 121.691 120.570 0.133 0.000 2.315 374 I HA 0.650 4.821 4.170 0.001 0.000 0.291 374 I C 0.734 177.052 176.117 0.335 0.000 1.006 374 I CA -0.385 61.029 61.300 0.191 0.000 1.265 374 I CB 0.989 39.078 38.000 0.150 0.000 1.387 374 I HN 0.395 nan 8.210 nan 0.000 0.475 375 M N 3.880 123.638 119.600 0.264 0.000 2.773 375 M HA 0.517 4.998 4.480 0.001 0.000 0.270 375 M C -0.711 175.613 176.300 0.039 0.000 1.238 375 M CA -0.844 54.525 55.300 0.116 0.000 0.832 375 M CB 2.081 34.704 32.600 0.040 0.000 1.672 375 M HN 0.393 nan 8.290 nan 0.000 0.480 376 T N -1.758 112.673 114.554 -0.206 0.000 2.849 376 T HA 0.304 4.654 4.350 0.001 0.000 0.284 376 T C 0.793 175.379 174.700 -0.189 0.000 1.004 376 T CA -0.518 61.481 62.100 -0.168 0.000 1.021 376 T CB 1.739 70.432 68.868 -0.291 0.000 1.013 376 T HN 0.941 nan 8.240 nan 0.000 0.527 377 K N 0.878 120.994 120.400 -0.474 0.000 2.107 377 K HA -0.274 4.046 4.320 0.001 0.000 0.211 377 K C 1.946 178.374 176.600 -0.288 0.000 1.049 377 K CA 2.384 58.239 56.287 -0.721 0.000 0.927 377 K CB -0.430 31.426 32.500 -1.074 0.000 0.714 377 K HN 0.853 nan 8.250 nan 0.000 0.452 378 D N 0.729 121.000 120.400 -0.215 0.000 2.092 378 D HA -0.246 4.395 4.640 0.001 0.000 0.193 378 D C 2.070 178.319 176.300 -0.084 0.000 0.994 378 D CA 1.446 55.378 54.000 -0.112 0.000 0.828 378 D CB -0.642 40.114 40.800 -0.074 0.000 0.963 378 D HN 0.344 nan 8.370 nan 0.000 0.450 379 L N 0.528 121.692 121.223 -0.099 0.000 2.093 379 L HA -0.045 4.296 4.340 0.001 0.000 0.208 379 L C 2.977 179.836 176.870 -0.019 0.000 1.085 379 L CA 0.961 55.763 54.840 -0.064 0.000 0.755 379 L CB -0.546 41.463 42.059 -0.083 0.000 0.904 379 L HN 0.084 nan 8.230 nan 0.000 0.435 380 A N 0.243 123.065 122.820 0.003 0.000 1.883 380 A HA -0.201 4.120 4.320 0.001 0.000 0.217 380 A C 2.198 179.812 177.584 0.049 0.000 1.186 380 A CA 1.373 53.450 52.037 0.068 0.000 0.624 380 A CB -0.615 18.500 19.000 0.191 0.000 0.822 380 A HN 0.257 nan 8.150 nan 0.000 0.444 381 L N -0.675 120.561 121.223 0.022 0.000 2.046 381 L HA -0.189 4.152 4.340 0.001 0.000 0.208 381 L C 3.024 179.899 176.870 0.007 0.000 1.077 381 L CA 2.042 56.892 54.840 0.016 0.000 0.747 381 L CB -1.639 40.418 42.059 -0.005 0.000 0.896 381 L HN 0.482 nan 8.230 nan 0.000 0.432 382 A N -1.302 121.515 122.820 -0.005 0.000 1.972 382 A HA -0.220 4.101 4.320 0.001 0.000 0.219 382 A C 2.354 179.938 177.584 -0.001 0.000 1.169 382 A CA 1.749 53.782 52.037 -0.008 0.000 0.635 382 A CB -0.859 18.132 19.000 -0.016 0.000 0.810 382 A HN 0.560 nan 8.150 nan 0.000 0.446 383 C N -1.706 117.598 119.300 0.007 0.000 2.594 383 C HA 0.440 4.901 4.460 0.001 0.000 0.265 383 C C 1.964 176.961 174.990 0.013 0.000 1.351 383 C CA 0.265 59.290 59.018 0.011 0.000 1.744 383 C CB -0.938 26.814 27.740 0.020 0.000 1.890 383 C HN 1.104 nan 8.230 nan 0.000 0.551 384 G N 1.692 110.502 108.800 0.016 0.000 2.131 384 G HA2 -0.198 3.762 3.960 0.001 0.000 0.223 384 G HA3 -0.198 3.762 3.960 0.001 0.000 0.223 384 G C -0.427 174.489 174.900 0.026 0.000 0.990 384 G CA -0.208 44.902 45.100 0.017 0.000 0.671 384 G HN 0.514 nan 8.290 nan 0.000 0.521 385 N N 1.433 120.156 118.700 0.039 0.000 2.521 385 N HA 0.260 5.000 4.740 0.001 0.000 0.236 385 N C 0.693 176.245 175.510 0.070 0.000 1.067 385 N CA -0.482 52.597 53.050 0.048 0.000 0.939 385 N CB 0.734 39.254 38.487 0.055 0.000 1.201 385 N HN 0.247 nan 8.380 nan 0.000 0.511 386 N N 0.522 119.254 118.700 0.055 0.000 2.398 386 N HA -0.060 4.681 4.740 0.001 0.000 0.188 386 N C 0.226 175.773 175.510 0.062 0.000 1.122 386 N CA 0.219 53.309 53.050 0.067 0.000 0.866 386 N CB 0.475 38.989 38.487 0.046 0.000 0.970 386 N HN 0.500 nan 8.380 nan 0.000 0.462 387 E N 1.498 121.719 120.200 0.036 0.000 2.384 387 E HA -0.001 4.349 4.350 0.001 0.000 0.266 387 E C 1.228 177.803 176.600 -0.042 0.000 1.012 387 E CA -0.149 56.250 56.400 -0.001 0.000 0.901 387 E CB 0.673 30.365 29.700 -0.014 0.000 0.967 387 E HN -0.144 nan 8.360 nan 0.000 0.435 388 R N 2.159 122.609 120.500 -0.082 0.000 2.091 388 R HA -0.125 4.216 4.340 0.001 0.000 0.238 388 R C 1.524 177.570 176.300 -0.423 0.000 1.136 388 R CA 1.838 57.803 56.100 -0.225 0.000 0.959 388 R CB -0.876 29.341 30.300 -0.137 0.000 0.856 388 R HN 0.628 nan 8.270 nan 0.000 0.437 389 S N -0.359 115.203 115.700 -0.230 0.000 2.595 389 S HA 0.022 4.493 4.470 0.001 0.000 0.235 389 S C 1.825 176.320 174.600 -0.175 0.000 0.974 389 S CA 0.712 58.793 58.200 -0.198 0.000 0.942 389 S CB -0.101 63.039 63.200 -0.101 0.000 0.766 389 S HN 0.366 nan 8.310 nan 0.000 0.536 390 A N 0.623 123.339 122.820 -0.173 0.000 2.066 390 A HA 0.291 4.611 4.320 0.001 0.000 0.218 390 A C 0.707 178.314 177.584 0.040 0.000 1.157 390 A CA 0.431 52.447 52.037 -0.035 0.000 0.670 390 A CB -0.483 18.546 19.000 0.049 0.000 0.804 390 A HN 0.859 nan 8.150 nan 0.000 0.453 391 Y N -2.914 117.399 120.300 0.021 0.000 2.605 391 Y HA 0.657 5.208 4.550 0.001 0.000 0.343 391 Y C -0.432 175.491 175.900 0.039 0.000 1.036 391 Y CA -1.798 56.318 58.100 0.025 0.000 1.065 391 Y CB 0.728 39.191 38.460 0.004 0.000 1.288 391 Y HN 0.209 nan 8.280 nan 0.000 0.481 392 V N -1.438 118.662 119.914 0.310 0.000 3.177 392 V HA 0.816 4.937 4.120 0.001 0.000 0.319 392 V C 0.273 176.545 176.094 0.296 0.000 1.125 392 V CA -0.393 62.045 62.300 0.231 0.000 1.029 392 V CB 1.047 32.987 31.823 0.195 0.000 1.119 392 V HN 1.187 nan 8.190 nan 0.000 0.452 393 T N -2.003 112.679 114.554 0.213 0.000 2.754 393 T HA 0.205 4.556 4.350 0.001 0.000 0.286 393 T C 1.151 175.956 174.700 0.175 0.000 0.997 393 T CA 0.612 62.822 62.100 0.184 0.000 0.982 393 T CB 0.564 69.519 68.868 0.146 0.000 1.027 393 T HN 0.832 nan 8.240 nan 0.000 0.529 394 T N 1.148 115.785 114.554 0.139 0.000 2.684 394 T HA -0.116 4.235 4.350 0.001 0.000 0.267 394 T C 1.800 176.617 174.700 0.194 0.000 1.036 394 T CA 2.032 64.219 62.100 0.145 0.000 1.148 394 T CB -0.461 68.479 68.868 0.119 0.000 0.863 394 T HN 0.762 nan 8.240 nan 0.000 0.436 395 E N 0.941 121.242 120.200 0.169 0.000 2.152 395 E HA -0.027 4.324 4.350 0.001 0.000 0.192 395 E C 2.233 178.909 176.600 0.127 0.000 0.983 395 E CA 0.726 57.213 56.400 0.146 0.000 0.818 395 E CB -0.155 29.624 29.700 0.132 0.000 0.758 395 E HN 0.562 nan 8.360 nan 0.000 0.467 396 E N -0.197 120.086 120.200 0.139 0.000 2.106 396 E HA -0.159 4.192 4.350 0.001 0.000 0.192 396 E C 1.630 178.304 176.600 0.124 0.000 0.984 396 E CA 0.719 57.188 56.400 0.114 0.000 0.806 396 E CB -0.163 29.608 29.700 0.118 0.000 0.750 396 E HN 0.216 nan 8.360 nan 0.000 0.458 397 F N 1.280 121.262 119.950 0.054 0.000 2.134 397 F HA -0.156 4.371 4.527 0.001 0.000 0.299 397 F C 1.848 177.670 175.800 0.037 0.000 1.097 397 F CA 1.230 59.258 58.000 0.047 0.000 1.264 397 F CB -0.096 38.936 39.000 0.053 0.000 1.001 397 F HN -0.075 nan 8.300 nan 0.000 0.479 398 L N -0.144 121.108 121.223 0.049 0.000 2.083 398 L HA -0.217 4.124 4.340 0.001 0.000 0.209 398 L C 2.109 178.916 176.870 -0.104 0.000 1.083 398 L CA 1.371 56.184 54.840 -0.045 0.000 0.752 398 L CB -0.772 41.329 42.059 0.070 0.000 0.899 398 L HN 0.092 nan 8.230 nan 0.000 0.433 399 D N 0.093 120.462 120.400 -0.052 0.000 2.144 399 D HA -0.136 4.505 4.640 0.001 0.000 0.200 399 D C 2.204 178.446 176.300 -0.096 0.000 0.978 399 D CA 1.394 55.364 54.000 -0.050 0.000 0.833 399 D CB 0.059 40.852 40.800 -0.011 0.000 0.961 399 D HN 0.317 nan 8.370 nan 0.000 0.470 400 A N 0.714 123.446 122.820 -0.147 0.000 1.898 400 A HA -0.120 4.201 4.320 0.001 0.000 0.216 400 A C 2.542 179.984 177.584 -0.237 0.000 1.181 400 A CA 1.089 53.020 52.037 -0.177 0.000 0.620 400 A CB -0.707 18.174 19.000 -0.198 0.000 0.819 400 A HN 0.134 nan 8.150 nan 0.000 0.442 401 V N 0.202 119.898 119.914 -0.363 0.000 2.343 401 V HA -0.284 3.836 4.120 0.001 0.000 0.247 401 V C 2.539 178.516 176.094 -0.195 0.000 1.051 401 V CA 2.335 64.443 62.300 -0.320 0.000 1.036 401 V CB -0.774 30.826 31.823 -0.371 0.000 0.654 401 V HN 0.804 nan 8.190 nan 0.000 0.451 402 E N 0.611 120.722 120.200 -0.147 0.000 2.058 402 E HA -0.323 4.028 4.350 0.001 0.000 0.194 402 E C 2.328 178.889 176.600 -0.064 0.000 0.997 402 E CA 1.961 58.314 56.400 -0.078 0.000 0.801 402 E CB -0.183 29.494 29.700 -0.039 0.000 0.746 402 E HN 0.576 nan 8.360 nan 0.000 0.450 403 K N 0.160 120.517 120.400 -0.071 0.000 2.032 403 K HA -0.189 4.132 4.320 0.001 0.000 0.209 403 K C 2.437 178.995 176.600 -0.069 0.000 1.048 403 K CA 1.191 57.444 56.287 -0.055 0.000 0.927 403 K CB -0.020 32.448 32.500 -0.054 0.000 0.712 403 K HN -0.006 nan 8.250 nan 0.000 0.441 404 R N 0.862 121.303 120.500 -0.099 0.000 2.081 404 R HA -0.107 4.234 4.340 0.001 0.000 0.235 404 R C 2.382 178.607 176.300 -0.126 0.000 1.131 404 R CA 1.039 57.076 56.100 -0.105 0.000 0.960 404 R CB -0.713 29.514 30.300 -0.122 0.000 0.856 404 R HN 0.372 nan 8.270 nan 0.000 0.436 405 L N 1.077 122.206 121.223 -0.157 0.000 2.012 405 L HA -0.261 4.079 4.340 0.001 0.000 0.210 405 L C 2.418 179.172 176.870 -0.193 0.000 1.073 405 L CA 1.594 56.297 54.840 -0.228 0.000 0.748 405 L CB -0.219 41.672 42.059 -0.280 0.000 0.891 405 L HN 0.273 nan 8.230 nan 0.000 0.431 406 Q N -0.478 119.272 119.800 -0.085 0.000 2.096 406 Q HA -0.303 4.038 4.340 0.001 0.000 0.204 406 Q C 2.154 178.125 176.000 -0.049 0.000 0.982 406 Q CA 1.982 57.774 55.803 -0.018 0.000 0.850 406 Q CB -0.172 28.584 28.738 0.031 0.000 0.901 406 Q HN 0.430 nan 8.270 nan 0.000 0.422 407 K N 1.282 121.649 120.400 -0.055 0.000 1.991 407 K HA -0.217 4.103 4.320 0.001 0.000 0.212 407 K C 1.829 178.394 176.600 -0.058 0.000 1.049 407 K CA 1.662 57.920 56.287 -0.047 0.000 0.932 407 K CB 0.012 32.483 32.500 -0.047 0.000 0.717 407 K HN 0.157 nan 8.250 nan 0.000 0.441 408 E N 0.299 120.448 120.200 -0.085 0.000 2.204 408 E HA -0.167 4.184 4.350 0.001 0.000 0.195 408 E C 1.953 178.499 176.600 -0.091 0.000 0.990 408 E CA 0.686 57.032 56.400 -0.089 0.000 0.821 408 E CB 0.010 29.640 29.700 -0.117 0.000 0.750 408 E HN 0.348 nan 8.360 nan 0.000 0.477 409 I N 1.188 121.683 120.570 -0.124 0.000 2.493 409 I HA -0.193 3.978 4.170 0.001 0.000 0.254 409 I C 0.976 177.074 176.117 -0.032 0.000 1.160 409 I CA 1.326 62.551 61.300 -0.124 0.000 1.445 409 I CB -0.367 37.477 38.000 -0.261 0.000 1.086 409 I HN -0.024 nan 8.210 nan 0.000 0.433 410 K N 0.495 120.883 120.400 -0.021 0.000 3.141 410 K HA 0.218 4.539 4.320 0.001 0.000 0.248 410 K C 0.672 177.277 176.600 0.009 0.000 1.282 410 K CA -0.054 56.242 56.287 0.015 0.000 1.251 410 K CB 0.306 32.816 32.500 0.016 0.000 1.533 410 K HN -0.004 nan 8.250 nan 0.000 0.409 411 S N -0.305 115.399 115.700 0.008 0.000 2.760 411 S HA 0.193 4.664 4.470 0.001 0.000 0.263 411 S C 0.615 175.221 174.600 0.010 0.000 1.007 411 S CA -0.477 57.725 58.200 0.004 0.000 1.358 411 S CB 0.441 63.634 63.200 -0.011 0.000 1.228 411 S HN 0.219 nan 8.310 nan 0.000 0.684 412 I N 0.000 120.583 120.570 0.022 0.000 2.984 412 I HA 0.000 4.171 4.170 0.001 0.000 0.288 412 I CA 0.000 61.316 61.300 0.026 0.000 1.566 412 I CB 0.000 38.028 38.000 0.047 0.000 1.214 412 I HN 0.000 nan 8.210 nan 0.000 0.494