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 3kvj_1_A DATA FIRST_RESID 33 DATA SEQUENCE GDERFYAXHL MPTLQGLLDP ESAHRLAVRF TSLGLLPRAR FQDSDMLEVR DATA SEQUENCE VLGHKFRNPV GIAAGFDKHG EAVDGLYKMG FGFVEIGSVT PKPQEGNPRP DATA SEQUENCE RVFRLPEDQA VINRYGFNSH GLSVVEHRLR ARQQKQAKLT EDGLPLGVNL DATA SEQUENCE GKNKTSVDAA EDYAEGVRVL GPLADYLVVN VSSPNTAGLR SLQGKAELRR DATA SEQUENCE LLTKVLQERD GLRRVHRPAV LVKIAPDLTS QDKEDIASVV KELGIDGLIV DATA SEQUENCE TNTTVSRPAG LQGALRSETG GLSGKPLRDL STQTIREMYA LTQGRVPIIG DATA SEQUENCE VGGVSSGQDA LEKIRAGASL VQLYTALTFW GPPVVGKVKR ELEALLKEQG DATA SEQUENCE FGGVTDAIGA DHRR 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 33 G HA2 0.000 nan 3.960 nan 0.000 0.244 33 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 33 G C 0.000 174.961 174.900 0.101 0.000 0.946 33 G CA 0.000 45.164 45.100 0.107 0.000 0.502 34 D N 1.006 121.547 120.400 0.234 0.000 2.348 34 D HA 0.380 5.023 4.640 0.004 0.000 0.253 34 D C 1.458 177.920 176.300 0.271 0.000 1.161 34 D CA -0.026 54.106 54.000 0.220 0.000 0.876 34 D CB 1.021 41.964 40.800 0.238 0.000 1.160 34 D HN 0.321 nan 8.370 nan 0.000 0.459 35 E N 2.548 122.828 120.200 0.133 0.000 2.110 35 E HA -0.168 4.185 4.350 0.004 0.000 0.193 35 E C 1.706 178.404 176.600 0.162 0.000 0.988 35 E CA 0.797 57.254 56.400 0.096 0.000 0.804 35 E CB 0.183 29.883 29.700 -0.001 0.000 0.745 35 E HN 0.472 nan 8.360 nan 0.000 0.458 36 R N -0.130 120.469 120.500 0.166 0.000 2.115 36 R HA -0.075 4.268 4.340 0.004 0.000 0.226 36 R C 2.183 178.630 176.300 0.245 0.000 1.100 36 R CA 0.921 57.112 56.100 0.151 0.000 0.980 36 R CB -0.267 30.112 30.300 0.132 0.000 0.875 36 R HN 0.169 nan 8.270 nan 0.000 0.445 37 F N 0.434 120.516 119.950 0.220 0.000 2.163 37 F HA -0.149 4.380 4.527 0.003 0.000 0.297 37 F C 1.633 177.565 175.800 0.219 0.000 1.094 37 F CA 1.153 59.309 58.000 0.261 0.000 1.290 37 F CB -0.235 38.891 39.000 0.210 0.000 1.017 37 F HN -0.123 nan 8.300 nan 0.000 0.483 38 Y N 0.564 120.906 120.300 0.070 0.000 2.163 38 Y HA 0.101 4.653 4.550 0.003 0.000 0.288 38 Y C 2.027 177.938 175.900 0.017 0.000 1.136 38 Y CA 0.584 58.677 58.100 -0.013 0.000 1.147 38 Y CB -1.312 37.217 38.460 0.116 0.000 0.987 38 Y HN 0.085 nan 8.280 nan 0.000 0.509 42 L N 0.572 121.461 121.223 -0.557 0.000 2.023 42 L HA -0.093 4.250 4.340 0.004 0.000 0.205 42 L C 1.754 178.474 176.870 -0.249 0.000 1.073 42 L CA 1.151 55.679 54.840 -0.519 0.000 0.745 42 L CB -0.021 41.543 42.059 -0.824 0.000 0.900 42 L HN 0.262 nan 8.230 nan 0.000 0.435 43 M N -0.174 119.332 119.600 -0.158 0.000 2.086 43 M HA -0.090 4.392 4.480 0.004 0.000 0.261 43 M C -0.156 176.103 176.300 -0.069 0.000 1.067 43 M CA 1.705 56.964 55.300 -0.068 0.000 1.116 43 M CB -2.436 30.173 32.600 0.016 0.000 1.348 43 M HN 0.105 nan 8.290 nan 0.000 0.407 44 P HA -0.081 nan 4.420 nan 0.000 0.219 44 P C 1.423 178.699 177.300 -0.039 0.000 1.146 44 P CA 1.366 64.447 63.100 -0.031 0.000 0.808 44 P CB -0.230 31.457 31.700 -0.021 0.000 0.779 45 T N -0.431 114.089 114.554 -0.058 0.000 2.851 45 T HA -0.030 4.322 4.350 0.004 0.000 0.262 45 T C 1.690 176.358 174.700 -0.052 0.000 1.043 45 T CA 0.615 62.687 62.100 -0.047 0.000 1.140 45 T CB -0.840 67.996 68.868 -0.054 0.000 0.872 45 T HN 0.081 nan 8.240 nan 0.000 0.446 46 L N 0.920 122.099 121.223 -0.073 0.000 2.046 46 L HA -0.112 4.230 4.340 0.004 0.000 0.208 46 L C 2.479 179.309 176.870 -0.067 0.000 1.077 46 L CA 1.525 56.320 54.840 -0.074 0.000 0.747 46 L CB -0.423 41.579 42.059 -0.094 0.000 0.896 46 L HN 0.237 nan 8.230 nan 0.000 0.432 47 Q N -0.238 119.519 119.800 -0.072 0.000 2.226 47 Q HA -0.121 4.221 4.340 0.004 0.000 0.204 47 Q C 1.962 177.934 176.000 -0.046 0.000 0.975 47 Q CA 1.158 56.918 55.803 -0.072 0.000 0.866 47 Q CB -0.302 28.386 28.738 -0.083 0.000 0.915 47 Q HN 0.734 nan 8.270 nan 0.000 0.440 48 G N -0.142 108.637 108.800 -0.034 0.000 2.712 48 G HA2 -0.023 3.939 3.960 0.004 0.000 0.212 48 G HA3 -0.023 3.939 3.960 0.004 0.000 0.212 48 G C 1.214 176.102 174.900 -0.020 0.000 1.142 48 G CA 0.062 45.150 45.100 -0.021 0.000 0.789 48 G HN 0.150 nan 8.290 nan 0.000 0.535 49 L N -0.951 120.255 121.223 -0.027 0.000 2.388 49 L HA 0.434 4.777 4.340 0.004 0.000 0.209 49 L C 0.434 177.290 176.870 -0.024 0.000 1.061 49 L CA 0.260 55.086 54.840 -0.023 0.000 0.834 49 L CB 0.218 42.263 42.059 -0.024 0.000 1.029 49 L HN 0.031 nan 8.230 nan 0.000 0.473 50 L N 0.488 121.691 121.223 -0.034 0.000 2.346 50 L HA 0.279 4.621 4.340 0.004 0.000 0.276 50 L C -0.582 176.263 176.870 -0.042 0.000 1.006 50 L CA -1.004 53.816 54.840 -0.034 0.000 0.817 50 L CB 1.786 43.823 42.059 -0.037 0.000 1.272 50 L HN 0.100 nan 8.230 nan 0.000 0.421 51 D N 2.781 123.157 120.400 -0.041 0.000 2.378 51 D HA 0.022 4.664 4.640 0.004 0.000 0.238 51 D C -2.029 174.230 176.300 -0.068 0.000 1.180 51 D CA -1.202 52.762 54.000 -0.059 0.000 0.895 51 D CB 1.027 41.787 40.800 -0.066 0.000 1.192 51 D HN 0.261 nan 8.370 nan 0.000 0.438 52 P HA -0.181 nan 4.420 nan 0.000 0.217 52 P C 1.310 178.604 177.300 -0.011 0.000 1.150 52 P CA 1.299 64.342 63.100 -0.094 0.000 0.832 52 P CB 0.159 31.763 31.700 -0.159 0.000 0.787 53 E N 0.102 120.286 120.200 -0.026 0.000 2.072 53 E HA -0.110 4.243 4.350 0.004 0.000 0.191 53 E C 2.001 178.653 176.600 0.086 0.000 0.985 53 E CA 1.253 57.708 56.400 0.092 0.000 0.801 53 E CB -0.257 29.462 29.700 0.032 0.000 0.750 53 E HN 0.065 nan 8.360 nan 0.000 0.452 54 S N 0.365 116.080 115.700 0.025 0.000 2.368 54 S HA -0.140 4.333 4.470 0.004 0.000 0.225 54 S C 2.034 176.651 174.600 0.027 0.000 1.030 54 S CA 0.931 59.141 58.200 0.017 0.000 0.999 54 S CB -0.260 62.938 63.200 -0.004 0.000 0.844 54 S HN 0.495 nan 8.310 nan 0.000 0.459 55 A N 1.045 123.880 122.820 0.025 0.000 1.902 55 A HA -0.199 4.123 4.320 0.004 0.000 0.217 55 A C 1.881 179.533 177.584 0.113 0.000 1.181 55 A CA 1.833 53.883 52.037 0.023 0.000 0.623 55 A CB -1.026 17.964 19.000 -0.016 0.000 0.818 55 A HN 0.741 nan 8.150 nan 0.000 0.443 56 H N -0.562 118.529 119.070 0.035 0.000 2.293 56 H HA -0.103 4.456 4.556 0.004 0.000 0.300 56 H C 2.418 177.754 175.328 0.013 0.000 1.082 56 H CA 1.416 57.512 56.048 0.080 0.000 1.308 56 H CB 0.011 29.842 29.762 0.115 0.000 1.375 56 H HN 0.437 nan 8.280 nan 0.000 0.495 57 R N -0.022 120.461 120.500 -0.027 0.000 2.091 57 R HA -0.139 4.203 4.340 0.004 0.000 0.238 57 R C 2.489 178.783 176.300 -0.010 0.000 1.136 57 R CA 1.261 57.290 56.100 -0.118 0.000 0.959 57 R CB -0.301 29.959 30.300 -0.066 0.000 0.856 57 R HN 0.279 nan 8.270 nan 0.000 0.437 58 L N 0.792 122.036 121.223 0.035 0.000 2.056 58 L HA -0.066 4.277 4.340 0.004 0.000 0.207 58 L C 2.300 179.225 176.870 0.091 0.000 1.078 58 L CA 1.828 56.700 54.840 0.053 0.000 0.749 58 L CB -0.567 41.468 42.059 -0.039 0.000 0.901 58 L HN 0.133 nan 8.230 nan 0.000 0.433 59 A N -1.283 121.602 122.820 0.109 0.000 1.933 59 A HA -0.142 4.180 4.320 0.004 0.000 0.218 59 A C 2.259 180.032 177.584 0.316 0.000 1.175 59 A CA 1.885 54.059 52.037 0.228 0.000 0.628 59 A CB -1.046 18.172 19.000 0.363 0.000 0.814 59 A HN 0.293 nan 8.150 nan 0.000 0.444 60 V N -0.075 119.923 119.914 0.140 0.000 2.343 60 V HA -0.239 3.883 4.120 0.004 0.000 0.247 60 V C 2.680 178.830 176.094 0.094 0.000 1.051 60 V CA 2.366 64.652 62.300 -0.022 0.000 1.036 60 V CB -0.788 30.861 31.823 -0.290 0.000 0.654 60 V HN 0.608 nan 8.190 nan 0.000 0.451 61 R N -0.017 120.565 120.500 0.137 0.000 2.070 61 R HA -0.119 4.223 4.340 0.004 0.000 0.233 61 R C 2.010 178.456 176.300 0.243 0.000 1.137 61 R CA 1.857 58.059 56.100 0.170 0.000 0.945 61 R CB -0.948 29.471 30.300 0.199 0.000 0.845 61 R HN 0.381 nan 8.270 nan 0.000 0.430 62 F N 0.293 120.291 119.950 0.080 0.000 2.126 62 F HA -0.171 4.358 4.527 0.003 0.000 0.299 62 F C 2.342 178.206 175.800 0.105 0.000 1.096 62 F CA 1.947 60.003 58.000 0.093 0.000 1.255 62 F CB -0.860 38.207 39.000 0.112 0.000 0.997 62 F HN 0.082 nan 8.300 nan 0.000 0.479 63 T N -0.884 113.866 114.554 0.326 0.000 2.777 63 T HA -0.168 4.185 4.350 0.004 0.000 0.266 63 T C 2.279 177.075 174.700 0.160 0.000 1.040 63 T CA 1.648 63.896 62.100 0.247 0.000 1.141 63 T CB -0.607 68.449 68.868 0.314 0.000 0.868 63 T HN 0.383 nan 8.240 nan 0.000 0.444 64 S N 1.700 117.478 115.700 0.129 0.000 2.423 64 S HA 0.049 4.522 4.470 0.004 0.000 0.231 64 S C 1.884 176.517 174.600 0.056 0.000 1.014 64 S CA 0.714 58.960 58.200 0.077 0.000 0.965 64 S CB -0.684 62.547 63.200 0.053 0.000 0.785 64 S HN 0.449 nan 8.310 nan 0.000 0.495 65 L N 0.881 122.130 121.223 0.043 0.000 2.591 65 L HA 0.297 4.639 4.340 0.004 0.000 0.228 65 L C 1.890 178.762 176.870 0.004 0.000 1.133 65 L CA 0.367 55.206 54.840 -0.002 0.000 0.880 65 L CB -0.747 41.270 42.059 -0.070 0.000 1.033 65 L HN 0.605 nan 8.230 nan 0.000 0.450 66 G N 0.876 109.703 108.800 0.045 0.000 2.148 66 G HA2 -0.281 3.681 3.960 0.004 0.000 0.254 66 G HA3 -0.281 3.681 3.960 0.004 0.000 0.254 66 G C 0.276 175.206 174.900 0.051 0.000 0.981 66 G CA -0.165 44.969 45.100 0.056 0.000 0.670 66 G HN 0.282 nan 8.290 nan 0.000 0.528 67 L N -0.037 121.204 121.223 0.031 0.000 2.363 67 L HA 0.729 5.071 4.340 0.004 0.000 0.286 67 L C 0.430 177.401 176.870 0.168 0.000 1.106 67 L CA -0.216 54.642 54.840 0.031 0.000 0.859 67 L CB 0.487 42.446 42.059 -0.166 0.000 1.223 67 L HN 0.245 nan 8.230 nan 0.000 0.446 68 L N 5.107 126.420 121.223 0.150 0.000 4.768 68 L HA 0.134 4.476 4.340 0.004 0.000 0.254 68 L C -2.411 174.528 176.870 0.115 0.000 1.073 68 L CA -0.974 53.965 54.840 0.166 0.000 1.079 68 L CB 2.048 44.203 42.059 0.160 0.000 1.842 68 L HN 0.367 nan 8.230 nan 0.000 0.495 69 P HA 0.046 nan 4.420 nan 0.000 0.266 69 P C -0.962 176.375 177.300 0.062 0.000 1.195 69 P CA -0.221 62.928 63.100 0.081 0.000 0.768 69 P CB 0.660 32.409 31.700 0.081 0.000 0.838 70 R N 2.385 122.918 120.500 0.055 0.000 2.438 70 R HA 0.412 4.755 4.340 0.004 0.000 0.287 70 R C -0.086 176.240 176.300 0.043 0.000 1.077 70 R CA -0.512 55.619 56.100 0.051 0.000 1.034 70 R CB 0.257 30.587 30.300 0.051 0.000 0.993 70 R HN 0.557 nan 8.270 nan 0.000 0.459 71 A N 4.490 127.334 122.820 0.039 0.000 2.540 71 A HA 0.055 4.378 4.320 0.004 0.000 0.239 71 A C 0.795 178.417 177.584 0.063 0.000 1.061 71 A CA -0.127 51.934 52.037 0.040 0.000 0.758 71 A CB 0.326 19.347 19.000 0.035 0.000 0.991 71 A HN 1.019 nan 8.150 nan 0.000 0.502 72 R N 1.723 122.266 120.500 0.070 0.000 2.093 72 R HA -0.020 4.323 4.340 0.004 0.000 0.224 72 R C 0.276 176.624 176.300 0.080 0.000 1.101 72 R CA 0.364 56.502 56.100 0.063 0.000 0.979 72 R CB -0.198 30.136 30.300 0.057 0.000 0.877 72 R HN 0.695 nan 8.270 nan 0.000 0.441 73 F N 3.519 123.458 119.950 -0.017 0.000 2.590 73 F HA -0.076 4.451 4.527 0.001 0.000 0.389 73 F C 0.425 176.222 175.800 -0.005 0.000 1.049 73 F CA 0.374 58.365 58.000 -0.015 0.000 1.199 73 F CB 0.365 39.349 39.000 -0.027 0.000 1.058 73 F HN -0.069 nan 8.300 nan 0.000 0.556 74 Q N 5.473 124.926 119.800 -0.578 0.000 2.290 74 Q HA 0.182 4.525 4.340 0.004 0.000 0.259 74 Q C -1.044 174.586 176.000 -0.617 0.000 0.941 74 Q CA -1.129 54.435 55.803 -0.398 0.000 0.912 74 Q CB 0.844 29.432 28.738 -0.250 0.000 1.244 74 Q HN 0.554 nan 8.270 nan 0.000 0.441 75 D N 2.443 122.721 120.400 -0.204 0.000 2.425 75 D HA 0.031 4.674 4.640 0.004 0.000 0.247 75 D C -0.028 176.234 176.300 -0.064 0.000 1.147 75 D CA 0.322 54.311 54.000 -0.018 0.000 0.879 75 D CB 1.057 41.947 40.800 0.149 0.000 1.179 75 D HN 0.564 nan 8.370 nan 0.000 0.456 76 S N 1.335 117.018 115.700 -0.028 0.000 2.652 76 S HA 0.144 4.616 4.470 0.004 0.000 0.270 76 S C 0.737 175.361 174.600 0.041 0.000 1.243 76 S CA -0.741 57.454 58.200 -0.009 0.000 0.999 76 S CB 1.390 64.593 63.200 0.005 0.000 0.973 76 S HN 0.194 nan 8.310 nan 0.000 0.544 77 D N 0.788 121.206 120.400 0.031 0.000 2.263 77 D HA -0.072 4.571 4.640 0.004 0.000 0.208 77 D C 1.689 178.024 176.300 0.058 0.000 0.971 77 D CA 1.172 55.198 54.000 0.043 0.000 0.867 77 D CB -0.358 40.461 40.800 0.031 0.000 0.929 77 D HN 0.569 nan 8.370 nan 0.000 0.492 78 M N -0.308 119.330 119.600 0.063 0.000 2.267 78 M HA -0.106 4.376 4.480 0.004 0.000 0.263 78 M C 1.701 178.048 176.300 0.078 0.000 1.063 78 M CA 0.979 56.322 55.300 0.071 0.000 1.090 78 M CB -0.013 32.635 32.600 0.080 0.000 1.392 78 M HN 0.036 nan 8.290 nan 0.000 0.422 79 L N -0.860 120.421 121.223 0.097 0.000 2.567 79 L HA 0.089 4.432 4.340 0.004 0.000 0.225 79 L C 1.039 177.976 176.870 0.111 0.000 1.119 79 L CA -0.163 54.743 54.840 0.110 0.000 0.871 79 L CB -0.219 41.934 42.059 0.158 0.000 1.036 79 L HN 0.251 nan 8.230 nan 0.000 0.459 80 E N 1.261 121.522 120.200 0.102 0.000 2.384 80 E HA 0.227 4.579 4.350 0.004 0.000 0.266 80 E C -1.153 175.506 176.600 0.098 0.000 1.012 80 E CA -0.127 56.341 56.400 0.113 0.000 0.901 80 E CB 1.075 30.830 29.700 0.092 0.000 0.967 80 E HN -0.135 nan 8.360 nan 0.000 0.435 81 V N 5.445 125.438 119.914 0.130 0.000 2.656 81 V HA 0.396 4.519 4.120 0.004 0.000 0.307 81 V C -0.431 175.761 176.094 0.163 0.000 1.051 81 V CA -0.792 61.559 62.300 0.085 0.000 0.893 81 V CB 1.965 33.777 31.823 -0.018 0.000 0.999 81 V HN 0.691 nan 8.190 nan 0.000 0.426 82 R N 3.228 123.792 120.500 0.107 0.000 2.288 82 R HA 0.771 5.113 4.340 0.004 0.000 0.326 82 R C -0.971 175.384 176.300 0.093 0.000 0.959 82 R CA -0.367 55.815 56.100 0.136 0.000 0.834 82 R CB 1.771 32.119 30.300 0.080 0.000 1.157 82 R HN 0.662 nan 8.270 nan 0.000 0.470 83 V N -0.413 119.595 119.914 0.157 0.000 3.216 83 V HA 0.416 4.538 4.120 0.004 0.000 0.302 83 V C 0.468 176.667 176.094 0.176 0.000 1.286 83 V CA -1.265 61.075 62.300 0.066 0.000 1.048 83 V CB 1.809 33.571 31.823 -0.101 0.000 1.081 83 V HN 0.803 nan 8.190 nan 0.000 0.442 84 L N 0.953 122.226 121.223 0.084 0.000 4.179 84 L HA -0.192 4.150 4.340 0.004 0.000 0.418 84 L C 1.455 178.422 176.870 0.161 0.000 1.168 84 L CA 0.957 55.875 54.840 0.130 0.000 0.972 84 L CB -1.646 40.516 42.059 0.171 0.000 2.005 84 L HN 2.049 nan 8.230 nan 0.000 0.935 85 G N -1.379 107.443 108.800 0.037 0.000 2.143 85 G HA2 -0.260 3.703 3.960 0.004 0.000 0.249 85 G HA3 -0.260 3.703 3.960 0.004 0.000 0.249 85 G C -0.037 174.600 174.900 -0.438 0.000 0.981 85 G CA 0.598 45.596 45.100 -0.170 0.000 0.665 85 G HN 0.685 nan 8.290 nan 0.000 0.528 86 H N -1.190 117.921 119.070 0.069 0.000 2.985 86 H HA 0.652 5.210 4.556 0.004 0.000 0.360 86 H C -0.142 175.199 175.328 0.022 0.000 1.221 86 H CA -0.673 55.359 56.048 -0.027 0.000 1.121 86 H CB 1.440 31.082 29.762 -0.200 0.000 1.854 86 H HN 0.195 nan 8.280 nan 0.000 0.551 87 K N 1.664 122.101 120.400 0.061 0.000 2.172 87 K HA 0.351 4.673 4.320 0.004 0.000 0.276 87 K C -1.456 175.108 176.600 -0.059 0.000 1.013 87 K CA -0.396 55.937 56.287 0.078 0.000 0.913 87 K CB 0.522 33.046 32.500 0.039 0.000 1.055 87 K HN 0.329 nan 8.250 nan 0.000 0.461 88 F N 4.056 124.035 119.950 0.049 0.000 2.427 88 F HA 0.320 4.848 4.527 0.003 0.000 0.348 88 F C 1.287 177.140 175.800 0.089 0.000 1.125 88 F CA -0.920 57.121 58.000 0.068 0.000 0.989 88 F CB 1.691 40.698 39.000 0.011 0.000 1.165 88 F HN 0.624 nan 8.300 nan 0.000 0.442 89 R N 1.428 122.066 120.500 0.229 0.000 2.148 89 R HA -0.059 4.283 4.340 0.004 0.000 0.227 89 R C -0.416 176.011 176.300 0.211 0.000 1.103 89 R CA 1.466 57.672 56.100 0.176 0.000 0.983 89 R CB -0.376 30.001 30.300 0.128 0.000 0.874 89 R HN 0.723 nan 8.270 nan 0.000 0.451 90 N N -1.460 117.409 118.700 0.281 0.000 2.610 90 N HA 0.260 5.003 4.740 0.004 0.000 0.264 90 N C -2.740 172.962 175.510 0.320 0.000 1.348 90 N CA -1.978 51.227 53.050 0.258 0.000 0.819 90 N CB 2.114 40.742 38.487 0.236 0.000 1.521 90 N HN -0.285 nan 8.380 nan 0.000 0.497 91 P HA 0.128 nan 4.420 nan 0.000 0.257 91 P C -0.709 176.805 177.300 0.357 0.000 1.281 91 P CA 0.138 63.367 63.100 0.216 0.000 0.826 91 P CB 0.280 32.025 31.700 0.075 0.000 1.237 92 V N 0.601 120.717 119.914 0.337 0.000 2.328 92 V HA 0.614 4.737 4.120 0.004 0.000 0.278 92 V C 0.876 177.099 176.094 0.215 0.000 1.021 92 V CA -0.429 62.019 62.300 0.246 0.000 0.838 92 V CB 1.107 33.007 31.823 0.128 0.000 0.999 92 V HN 0.094 nan 8.190 nan 0.000 0.447 93 G N 3.440 112.119 108.800 -0.202 0.000 2.537 93 G HA2 0.674 4.636 3.960 0.004 0.000 0.323 93 G HA3 0.674 4.636 3.960 0.004 0.000 0.323 93 G C -1.107 173.378 174.900 -0.691 0.000 1.207 93 G CA -0.799 43.747 45.100 -0.923 0.000 0.976 93 G HN 0.580 nan 8.290 nan 0.000 0.487 94 I N 1.263 121.120 120.570 -1.188 0.000 2.371 94 I HA 0.600 4.772 4.170 0.004 0.000 0.290 94 I C 0.818 176.578 176.117 -0.595 0.000 1.028 94 I CA -0.536 60.044 61.300 -1.199 0.000 1.345 94 I CB 0.752 37.788 38.000 -1.606 0.000 1.407 94 I HN 0.644 nan 8.210 nan 0.000 0.501 95 A N 6.400 129.010 122.820 -0.351 0.000 2.366 95 A HA 0.693 5.016 4.320 0.004 0.000 0.249 95 A C 0.511 178.008 177.584 -0.146 0.000 1.084 95 A CA -0.055 51.898 52.037 -0.140 0.000 0.794 95 A CB -0.147 18.864 19.000 0.019 0.000 1.034 95 A HN 1.145 nan 8.150 nan 0.000 0.491 96 A N -0.181 122.616 122.820 -0.038 0.000 2.547 96 A HA 0.471 4.793 4.320 0.004 0.000 0.233 96 A C 1.586 179.164 177.584 -0.009 0.000 1.067 96 A CA 1.004 53.019 52.037 -0.035 0.000 0.763 96 A CB -0.542 18.480 19.000 0.036 0.000 1.007 96 A HN 2.730 nan 8.150 nan 0.000 0.506 97 G N -0.114 108.647 108.800 -0.066 0.000 2.307 97 G HA2 -0.270 3.693 3.960 0.004 0.000 0.210 97 G HA3 -0.270 3.693 3.960 0.004 0.000 0.210 97 G C 0.863 175.705 174.900 -0.098 0.000 1.005 97 G CA 0.908 46.020 45.100 0.020 0.000 0.634 97 G HN 1.346 nan 8.290 nan 0.000 0.496 98 F N 2.139 121.702 119.950 -0.645 0.000 2.118 98 F HA 0.353 4.883 4.527 0.005 0.000 0.293 98 F C 0.937 176.611 175.800 -0.209 0.000 1.102 98 F CA 1.595 59.176 58.000 -0.698 0.000 1.247 98 F CB 0.281 38.618 39.000 -1.106 0.000 1.017 98 F HN 0.064 nan 8.300 nan 0.000 0.475 99 D N 0.649 120.815 120.400 -0.390 0.000 2.540 99 D HA 0.138 4.780 4.640 0.004 0.000 0.251 99 D C 0.828 176.880 176.300 -0.413 0.000 1.159 99 D CA 0.025 53.770 54.000 -0.425 0.000 0.974 99 D CB 0.332 40.992 40.800 -0.232 0.000 0.996 99 D HN 0.217 nan 8.370 nan 0.000 0.512 100 K N 0.215 120.253 120.400 -0.602 0.000 2.148 100 K HA -0.100 4.222 4.320 0.004 0.000 0.204 100 K C 0.482 176.667 176.600 -0.691 0.000 1.050 100 K CA 1.009 56.882 56.287 -0.690 0.000 0.942 100 K CB 0.152 32.097 32.500 -0.924 0.000 0.724 100 K HN 0.524 nan 8.250 nan 0.000 0.446 101 H N -1.686 117.187 119.070 -0.330 0.000 2.592 101 H HA 0.229 4.787 4.556 0.004 0.000 0.279 101 H C 0.477 175.699 175.328 -0.175 0.000 1.089 101 H CA 0.067 55.924 56.048 -0.318 0.000 1.150 101 H CB 1.208 30.586 29.762 -0.641 0.000 1.575 101 H HN 0.270 nan 8.280 nan 0.000 0.547 102 G N 1.535 110.263 108.800 -0.119 0.000 2.225 102 G HA2 -0.320 3.642 3.960 0.004 0.000 0.264 102 G HA3 -0.320 3.642 3.960 0.004 0.000 0.264 102 G C 0.542 175.421 174.900 -0.035 0.000 1.060 102 G CA 0.501 45.557 45.100 -0.074 0.000 0.833 102 G HN 0.597 nan 8.290 nan 0.000 0.498 103 E N -0.805 119.364 120.200 -0.053 0.000 2.415 103 E HA 0.406 4.759 4.350 0.004 0.000 0.197 103 E C 2.009 178.603 176.600 -0.011 0.000 1.007 103 E CA 0.617 57.008 56.400 -0.015 0.000 0.890 103 E CB 0.396 30.090 29.700 -0.009 0.000 0.891 103 E HN 0.768 nan 8.360 nan 0.000 0.496 104 A N 0.485 123.287 122.820 -0.029 0.000 2.609 104 A HA 0.227 4.549 4.320 0.004 0.000 0.286 104 A C 1.606 179.192 177.584 0.003 0.000 1.138 104 A CA -0.230 51.817 52.037 0.017 0.000 0.960 104 A CB 0.161 19.195 19.000 0.058 0.000 1.208 104 A HN 0.024 nan 8.150 nan 0.000 0.541 105 V N 0.499 120.391 119.914 -0.036 0.000 2.287 105 V HA -0.273 3.849 4.120 0.004 0.000 0.248 105 V C 2.153 178.196 176.094 -0.084 0.000 1.053 105 V CA 2.556 64.789 62.300 -0.111 0.000 1.027 105 V CB -0.472 31.322 31.823 -0.048 0.000 0.646 105 V HN 0.562 nan 8.190 nan 0.000 0.447 106 D N 0.388 120.835 120.400 0.079 0.000 2.144 106 D HA -0.103 4.540 4.640 0.004 0.000 0.200 106 D C 2.192 178.583 176.300 0.151 0.000 0.978 106 D CA 1.619 55.733 54.000 0.190 0.000 0.833 106 D CB -0.349 40.542 40.800 0.151 0.000 0.961 106 D HN 0.519 nan 8.370 nan 0.000 0.470 107 G N 0.985 109.846 108.800 0.101 0.000 2.432 107 G HA2 -0.180 3.783 3.960 0.004 0.000 0.219 107 G HA3 -0.180 3.783 3.960 0.004 0.000 0.219 107 G C 1.825 176.797 174.900 0.120 0.000 1.135 107 G CA 0.176 45.344 45.100 0.114 0.000 0.767 107 G HN 0.220 nan 8.290 nan 0.000 0.550 108 L N -1.166 120.095 121.223 0.064 0.000 2.109 108 L HA 0.021 4.364 4.340 0.004 0.000 0.207 108 L C 2.610 179.563 176.870 0.138 0.000 1.086 108 L CA 0.697 55.587 54.840 0.083 0.000 0.760 108 L CB -0.384 41.611 42.059 -0.108 0.000 0.910 108 L HN 0.234 nan 8.230 nan 0.000 0.437 109 Y N 0.078 120.478 120.300 0.167 0.000 2.224 109 Y HA -0.303 4.249 4.550 0.003 0.000 0.289 109 Y C 2.725 178.690 175.900 0.108 0.000 1.146 109 Y CA 1.254 59.441 58.100 0.146 0.000 1.182 109 Y CB -0.129 38.392 38.460 0.101 0.000 0.983 109 Y HN 0.094 nan 8.280 nan 0.000 0.524 110 K N 0.532 121.074 120.400 0.237 0.000 2.209 110 K HA -0.219 4.104 4.320 0.004 0.000 0.204 110 K C 2.072 178.728 176.600 0.093 0.000 1.048 110 K CA 1.228 57.604 56.287 0.147 0.000 0.940 110 K CB -0.194 32.380 32.500 0.123 0.000 0.729 110 K HN 0.315 nan 8.250 nan 0.000 0.451 111 M N -0.936 118.712 119.600 0.081 0.000 2.476 111 M HA -0.037 4.445 4.480 0.004 0.000 0.262 111 M C 0.683 176.886 176.300 -0.161 0.000 1.079 111 M CA 1.609 56.890 55.300 -0.033 0.000 1.104 111 M CB 0.415 33.005 32.600 -0.017 0.000 1.409 111 M HN 0.451 nan 8.290 nan 0.000 0.467 112 G N -0.583 108.178 108.800 -0.065 0.000 2.192 112 G HA2 -0.195 3.768 3.960 0.004 0.000 0.193 112 G HA3 -0.195 3.768 3.960 0.004 0.000 0.193 112 G C -0.103 174.751 174.900 -0.076 0.000 0.999 112 G CA -0.643 44.417 45.100 -0.066 0.000 0.659 112 G HN 0.379 nan 8.290 nan 0.000 0.503 113 F N 1.108 121.097 119.950 0.065 0.000 2.529 113 F HA 0.441 4.972 4.527 0.006 0.000 0.365 113 F C 1.841 177.767 175.800 0.210 0.000 1.102 113 F CA 0.941 58.968 58.000 0.046 0.000 1.271 113 F CB 1.374 40.316 39.000 -0.097 0.000 1.120 113 F HN 0.015 nan 8.300 nan 0.000 0.579 114 G N 3.160 112.235 108.800 0.458 0.000 2.623 114 G HA2 0.098 4.060 3.960 0.004 0.000 0.214 114 G HA3 0.098 4.060 3.960 0.004 0.000 0.214 114 G C -0.270 175.089 174.900 0.764 0.000 1.138 114 G CA 0.171 45.594 45.100 0.539 0.000 0.794 114 G HN 0.595 nan 8.290 nan 0.000 0.535 115 F N -2.658 117.567 119.950 0.459 0.000 2.693 115 F HA 0.713 5.242 4.527 0.003 0.000 0.309 115 F C -1.495 174.426 175.800 0.202 0.000 1.129 115 F CA -1.626 56.639 58.000 0.443 0.000 0.948 115 F CB 1.487 40.828 39.000 0.568 0.000 1.315 115 F HN -0.176 nan 8.300 nan 0.000 0.447 116 V N 1.243 121.232 119.914 0.125 0.000 2.540 116 V HA 0.470 4.592 4.120 0.004 0.000 0.302 116 V C -0.994 175.048 176.094 -0.087 0.000 1.035 116 V CA -0.575 61.586 62.300 -0.233 0.000 0.873 116 V CB 1.708 33.240 31.823 -0.485 0.000 0.992 116 V HN 0.873 nan 8.190 nan 0.000 0.428 117 E N 4.432 124.538 120.200 -0.157 0.000 2.165 117 E HA 0.627 4.979 4.350 0.004 0.000 0.266 117 E C -0.870 175.639 176.600 -0.151 0.000 0.889 117 E CA -0.618 55.723 56.400 -0.098 0.000 0.756 117 E CB 1.672 31.401 29.700 0.049 0.000 1.131 117 E HN 0.749 nan 8.360 nan 0.000 0.411 118 I N 1.057 121.535 120.570 -0.152 0.000 2.924 118 I HA 0.936 5.108 4.170 0.004 0.000 0.316 118 I C 0.487 176.518 176.117 -0.144 0.000 1.014 118 I CA -0.250 60.952 61.300 -0.162 0.000 1.106 118 I CB 1.743 39.650 38.000 -0.154 0.000 1.311 118 I HN 0.721 nan 8.210 nan 0.000 0.502 119 G N 2.059 110.752 108.800 -0.179 0.000 2.422 119 G HA2 -0.072 3.890 3.960 0.004 0.000 0.607 119 G HA3 -0.072 3.890 3.960 0.004 0.000 0.607 119 G C -0.760 174.055 174.900 -0.140 0.000 1.270 119 G CA -0.451 44.551 45.100 -0.163 0.000 0.992 119 G HN 0.863 nan 8.290 nan 0.000 0.499 120 S N -1.041 114.600 115.700 -0.098 0.000 2.564 120 S HA 0.509 4.981 4.470 0.004 0.000 0.278 120 S C 0.524 174.963 174.600 -0.267 0.000 1.333 120 S CA -0.189 57.891 58.200 -0.199 0.000 1.048 120 S CB 1.409 64.391 63.200 -0.363 0.000 0.900 120 S HN 1.168 nan 8.310 nan 0.000 0.505 121 V N 3.176 122.943 119.914 -0.245 0.000 2.435 121 V HA 0.509 4.631 4.120 0.004 0.000 0.290 121 V C 0.591 176.533 176.094 -0.253 0.000 1.030 121 V CA -0.874 61.311 62.300 -0.192 0.000 0.881 121 V CB 1.462 33.215 31.823 -0.117 0.000 0.983 121 V HN 1.022 nan 8.190 nan 0.000 0.445 122 T N 2.353 116.778 114.554 -0.215 0.000 2.943 122 T HA 0.469 4.821 4.350 0.004 0.000 0.284 122 T C -2.032 172.591 174.700 -0.128 0.000 1.015 122 T CA -2.072 59.901 62.100 -0.213 0.000 1.042 122 T CB 2.113 70.883 68.868 -0.163 0.000 1.055 122 T HN 0.352 nan 8.240 nan 0.000 0.500 123 P HA -0.021 nan 4.420 nan 0.000 0.213 123 P C 0.216 177.485 177.300 -0.052 0.000 1.170 123 P CA 1.258 64.306 63.100 -0.086 0.000 0.898 123 P CB 0.150 31.797 31.700 -0.089 0.000 0.787 124 K N -0.944 119.431 120.400 -0.042 0.000 2.098 124 K HA 0.398 4.720 4.320 0.004 0.000 0.258 124 K C -2.478 174.116 176.600 -0.010 0.000 0.973 124 K CA -2.970 53.304 56.287 -0.021 0.000 0.898 124 K CB -0.728 31.763 32.500 -0.015 0.000 1.057 124 K HN -0.124 nan 8.250 nan 0.000 0.447 125 P HA 0.007 nan 4.420 nan 0.000 0.267 125 P C -0.807 176.505 177.300 0.020 0.000 1.200 125 P CA 0.153 63.259 63.100 0.011 0.000 0.772 125 P CB 0.383 32.078 31.700 -0.007 0.000 0.855 126 Q N 0.406 120.231 119.800 0.041 0.000 2.472 126 Q HA 0.350 4.693 4.340 0.004 0.000 0.281 126 Q C -0.288 175.756 176.000 0.074 0.000 0.997 126 Q CA -0.797 55.038 55.803 0.053 0.000 0.828 126 Q CB 1.144 29.921 28.738 0.066 0.000 1.443 126 Q HN 0.111 nan 8.270 nan 0.000 0.390 127 E N 0.736 120.978 120.200 0.069 0.000 2.230 127 E HA 0.141 4.493 4.350 0.004 0.000 0.192 127 E C 0.891 177.556 176.600 0.109 0.000 0.987 127 E CA 1.404 57.850 56.400 0.076 0.000 0.841 127 E CB 0.170 29.902 29.700 0.054 0.000 0.783 127 E HN 0.884 nan 8.360 nan 0.000 0.481 128 G N 1.565 110.436 108.800 0.118 0.000 2.632 128 G HA2 -0.225 3.737 3.960 0.004 0.000 0.224 128 G HA3 -0.225 3.737 3.960 0.004 0.000 0.224 128 G C -0.202 174.760 174.900 0.104 0.000 1.341 128 G CA -0.325 44.860 45.100 0.142 0.000 0.880 128 G HN 0.154 nan 8.290 nan 0.000 0.566 129 N N 2.057 120.818 118.700 0.101 0.000 2.467 129 N HA 0.507 5.249 4.740 0.004 0.000 0.262 129 N C -1.896 173.643 175.510 0.048 0.000 1.234 129 N CA -0.577 52.509 53.050 0.060 0.000 0.952 129 N CB 0.460 38.972 38.487 0.041 0.000 1.158 129 N HN 0.521 nan 8.380 nan 0.000 0.463 130 P HA 0.115 nan 4.420 nan 0.000 0.269 130 P C -0.400 176.904 177.300 0.007 0.000 1.215 130 P CA 0.139 63.253 63.100 0.024 0.000 0.780 130 P CB 0.946 32.660 31.700 0.023 0.000 0.898 131 R N 1.882 122.380 120.500 -0.004 0.000 2.500 131 R HA 0.474 4.816 4.340 0.004 0.000 0.277 131 R C -1.536 174.755 176.300 -0.014 0.000 1.026 131 R CA -1.553 54.523 56.100 -0.039 0.000 1.058 131 R CB -0.274 30.001 30.300 -0.042 0.000 1.078 131 R HN 0.496 nan 8.270 nan 0.000 0.509 132 P HA 0.141 nan 4.420 nan 0.000 0.275 132 P C -0.616 176.560 177.300 -0.208 0.000 1.228 132 P CA -0.320 62.685 63.100 -0.158 0.000 0.786 132 P CB 0.822 32.433 31.700 -0.150 0.000 0.927 133 R N -0.028 120.189 120.500 -0.473 0.000 2.538 133 R HA 0.415 4.758 4.340 0.004 0.000 0.372 133 R C -0.736 175.143 176.300 -0.701 0.000 0.950 133 R CA -0.359 55.493 56.100 -0.413 0.000 1.168 133 R CB 0.196 30.316 30.300 -0.300 0.000 1.542 133 R HN 0.193 nan 8.270 nan 0.000 0.536 134 V N 1.248 120.512 119.914 -1.084 0.000 2.841 134 V HA 0.598 4.720 4.120 0.004 0.000 0.310 134 V C -1.370 174.070 176.094 -1.089 0.000 1.090 134 V CA -0.753 61.045 62.300 -0.837 0.000 0.930 134 V CB 1.883 33.373 31.823 -0.555 0.000 1.014 134 V HN 0.096 nan 8.190 nan 0.000 0.425 135 F N 1.652 121.528 119.950 -0.123 0.000 2.574 135 F HA 0.640 5.169 4.527 0.004 0.000 0.313 135 F C 0.234 175.991 175.800 -0.072 0.000 1.130 135 F CA -0.777 57.172 58.000 -0.085 0.000 0.936 135 F CB 2.037 40.996 39.000 -0.069 0.000 1.219 135 F HN 0.246 nan 8.300 nan 0.000 0.445 136 R N 2.328 122.881 120.500 0.089 0.000 2.349 136 R HA 0.602 4.944 4.340 0.004 0.000 0.299 136 R C -1.258 175.116 176.300 0.124 0.000 1.027 136 R CA -0.893 55.250 56.100 0.071 0.000 0.958 136 R CB 1.051 31.357 30.300 0.011 0.000 1.047 136 R HN 0.420 nan 8.270 nan 0.000 0.468 137 L N 5.721 127.038 121.223 0.157 0.000 2.506 137 L HA 0.261 4.603 4.340 0.004 0.000 0.247 137 L C -1.594 175.323 176.870 0.079 0.000 1.141 137 L CA -1.673 53.223 54.840 0.093 0.000 0.973 137 L CB 1.277 43.364 42.059 0.047 0.000 1.319 137 L HN 0.453 nan 8.230 nan 0.000 0.455 138 P HA -0.172 nan 4.420 nan 0.000 0.216 138 P C 0.866 178.090 177.300 -0.126 0.000 1.150 138 P CA 1.219 64.338 63.100 0.031 0.000 0.837 138 P CB 0.562 32.319 31.700 0.094 0.000 0.786 139 E N -0.241 119.921 120.200 -0.064 0.000 2.333 139 E HA -0.119 4.234 4.350 0.004 0.000 0.198 139 E C 1.184 177.726 176.600 -0.096 0.000 1.007 139 E CA 0.982 57.342 56.400 -0.068 0.000 0.845 139 E CB -0.505 29.174 29.700 -0.036 0.000 0.766 139 E HN 0.383 nan 8.360 nan 0.000 0.507 140 D N -0.485 119.842 120.400 -0.120 0.000 2.433 140 D HA 0.026 4.668 4.640 0.004 0.000 0.211 140 D C -0.253 175.922 176.300 -0.209 0.000 1.114 140 D CA 0.023 53.952 54.000 -0.118 0.000 0.837 140 D CB 0.410 41.172 40.800 -0.064 0.000 0.984 140 D HN 0.051 nan 8.370 nan 0.000 0.505 141 Q N 0.027 119.562 119.800 -0.442 0.000 2.435 141 Q HA -0.184 4.158 4.340 0.004 0.000 0.312 141 Q C -0.368 175.394 176.000 -0.396 0.000 1.333 141 Q CA 0.569 55.825 55.803 -0.913 0.000 0.883 141 Q CB -1.306 27.082 28.738 -0.584 0.000 1.170 141 Q HN 0.358 nan 8.270 nan 0.000 0.443 142 A N -0.623 122.149 122.820 -0.080 0.000 2.479 142 A HA 0.905 5.227 4.320 0.004 0.000 0.296 142 A C -0.716 176.990 177.584 0.202 0.000 1.121 142 A CA -0.518 51.578 52.037 0.097 0.000 0.743 142 A CB 2.074 21.086 19.000 0.020 0.000 1.323 142 A HN 0.106 nan 8.150 nan 0.000 0.415 143 V N 0.820 120.789 119.914 0.092 0.000 2.876 143 V HA 0.510 4.632 4.120 0.004 0.000 0.312 143 V C -0.832 175.279 176.094 0.027 0.000 1.085 143 V CA -0.291 62.027 62.300 0.030 0.000 0.945 143 V CB 1.890 33.655 31.823 -0.097 0.000 1.017 143 V HN 0.732 nan 8.190 nan 0.000 0.428 144 I N 3.856 124.469 120.570 0.070 0.000 2.433 144 I HA 0.494 4.667 4.170 0.004 0.000 0.292 144 I C -0.540 175.646 176.117 0.115 0.000 1.001 144 I CA -0.394 60.961 61.300 0.092 0.000 1.119 144 I CB 1.942 40.005 38.000 0.106 0.000 1.289 144 I HN 0.903 nan 8.210 nan 0.000 0.438 145 N N 4.835 123.565 118.700 0.050 0.000 2.229 145 N HA 0.617 5.360 4.740 0.004 0.000 0.298 145 N C -0.779 174.737 175.510 0.010 0.000 1.114 145 N CA -1.075 51.964 53.050 -0.019 0.000 0.776 145 N CB 1.588 40.060 38.487 -0.024 0.000 1.501 145 N HN 0.587 nan 8.380 nan 0.000 0.474 146 R N 1.089 121.563 120.500 -0.043 0.000 2.718 146 R HA 0.249 4.591 4.340 0.004 0.000 0.307 146 R C -0.558 175.731 176.300 -0.017 0.000 1.244 146 R CA -0.673 55.423 56.100 -0.006 0.000 1.348 146 R CB -0.819 29.500 30.300 0.031 0.000 1.304 146 R HN 0.552 nan 8.270 nan 0.000 0.663 147 Y N 1.579 121.888 120.300 0.015 0.000 2.165 147 Y HA -0.147 4.405 4.550 0.003 0.000 0.286 147 Y C 1.942 177.858 175.900 0.027 0.000 1.155 147 Y CA 2.009 60.127 58.100 0.031 0.000 1.164 147 Y CB 0.152 38.652 38.460 0.067 0.000 0.978 147 Y HN 0.728 nan 8.280 nan 0.000 0.513 148 G N -0.802 108.081 108.800 0.139 0.000 2.212 148 G HA2 -0.316 3.646 3.960 0.004 0.000 0.255 148 G HA3 -0.316 3.646 3.960 0.004 0.000 0.255 148 G C 0.185 175.174 174.900 0.148 0.000 1.062 148 G CA -0.067 45.048 45.100 0.025 0.000 0.815 148 G HN 0.538 nan 8.290 nan 0.000 0.497 149 F N -1.442 118.573 119.950 0.108 0.000 2.985 149 F HA -0.253 4.276 4.527 0.003 0.000 0.303 149 F C 1.015 176.848 175.800 0.056 0.000 0.976 149 F CA 0.372 58.407 58.000 0.057 0.000 1.013 149 F CB -1.698 37.327 39.000 0.041 0.000 1.060 149 F HN 0.806 nan 8.300 nan 0.000 0.780 150 N N 0.810 119.654 118.700 0.241 0.000 2.447 150 N HA 0.347 5.089 4.740 0.004 0.000 0.263 150 N C -0.401 175.220 175.510 0.184 0.000 1.226 150 N CA 0.238 53.393 53.050 0.176 0.000 0.906 150 N CB 1.667 40.245 38.487 0.152 0.000 1.060 150 N HN 0.229 nan 8.380 nan 0.000 0.468 151 S N 0.636 116.436 115.700 0.168 0.000 2.543 151 S HA 0.186 4.658 4.470 0.004 0.000 0.271 151 S C -0.101 174.563 174.600 0.105 0.000 1.148 151 S CA -0.759 57.539 58.200 0.164 0.000 0.914 151 S CB 0.681 63.911 63.200 0.050 0.000 1.096 151 S HN 0.742 nan 8.310 nan 0.000 0.471 152 H N 2.581 121.583 119.070 -0.115 0.000 2.545 152 H HA 0.245 4.803 4.556 0.004 0.000 0.282 152 H C 1.354 176.636 175.328 -0.076 0.000 1.020 152 H CA 0.322 56.255 56.048 -0.191 0.000 1.243 152 H CB 0.186 29.786 29.762 -0.270 0.000 1.377 152 H HN 1.017 nan 8.280 nan 0.000 0.581 153 G N -0.180 108.667 108.800 0.079 0.000 2.699 153 G HA2 -0.230 3.732 3.960 0.004 0.000 0.686 153 G HA3 -0.230 3.732 3.960 0.004 0.000 0.686 153 G C 0.397 175.301 174.900 0.007 0.000 1.301 153 G CA -0.313 44.798 45.100 0.019 0.000 0.816 153 G HN 0.176 nan 8.290 nan 0.000 0.595 154 L N 0.485 121.693 121.223 -0.026 0.000 2.012 154 L HA -0.122 4.220 4.340 0.004 0.000 0.210 154 L C 3.168 180.011 176.870 -0.045 0.000 1.073 154 L CA 2.262 57.076 54.840 -0.043 0.000 0.748 154 L CB -0.660 41.365 42.059 -0.057 0.000 0.891 154 L HN 0.657 nan 8.230 nan 0.000 0.431 155 S N -0.605 115.078 115.700 -0.028 0.000 2.356 155 S HA -0.155 4.318 4.470 0.004 0.000 0.223 155 S C 2.022 176.646 174.600 0.040 0.000 1.032 155 S CA 1.256 59.442 58.200 -0.024 0.000 1.005 155 S CB -0.233 62.992 63.200 0.041 0.000 0.867 155 S HN 0.155 nan 8.310 nan 0.000 0.449 156 V N 1.495 121.450 119.914 0.069 0.000 2.295 156 V HA -0.143 3.979 4.120 0.004 0.000 0.246 156 V C 2.309 178.455 176.094 0.085 0.000 1.049 156 V CA 1.523 63.881 62.300 0.097 0.000 1.024 156 V CB -0.703 31.153 31.823 0.056 0.000 0.648 156 V HN 0.340 nan 8.190 nan 0.000 0.447 157 V N -0.028 119.918 119.914 0.052 0.000 2.427 157 V HA -0.261 3.861 4.120 0.004 0.000 0.248 157 V C 2.463 178.548 176.094 -0.015 0.000 1.051 157 V CA 2.155 64.473 62.300 0.030 0.000 1.048 157 V CB -0.615 31.213 31.823 0.007 0.000 0.666 157 V HN 0.696 nan 8.190 nan 0.000 0.456 158 E N 0.187 120.341 120.200 -0.077 0.000 2.038 158 E HA -0.296 4.056 4.350 0.004 0.000 0.195 158 E C 2.109 178.614 176.600 -0.158 0.000 1.000 158 E CA 2.192 58.496 56.400 -0.160 0.000 0.803 158 E CB -0.212 29.317 29.700 -0.284 0.000 0.750 158 E HN 0.798 nan 8.360 nan 0.000 0.448 159 H N -0.577 118.491 119.070 -0.003 0.000 2.423 159 H HA 0.000 4.558 4.556 0.004 0.000 0.297 159 H C 2.313 177.643 175.328 0.003 0.000 1.075 159 H CA 1.420 57.466 56.048 -0.003 0.000 1.342 159 H CB 0.033 29.790 29.762 -0.008 0.000 1.395 159 H HN 0.066 nan 8.280 nan 0.000 0.530 160 R N 0.649 121.215 120.500 0.110 0.000 2.081 160 R HA -0.090 4.252 4.340 0.004 0.000 0.235 160 R C 1.799 178.127 176.300 0.047 0.000 1.131 160 R CA 1.091 57.234 56.100 0.072 0.000 0.960 160 R CB -0.095 30.244 30.300 0.065 0.000 0.856 160 R HN 0.304 nan 8.270 nan 0.000 0.436 161 L N -0.245 120.994 121.223 0.026 0.000 2.109 161 L HA -0.055 4.287 4.340 0.004 0.000 0.207 161 L C 2.552 179.437 176.870 0.025 0.000 1.086 161 L CA 1.006 55.856 54.840 0.017 0.000 0.760 161 L CB -0.343 41.713 42.059 -0.004 0.000 0.910 161 L HN 0.185 nan 8.230 nan 0.000 0.437 162 R N 0.205 120.719 120.500 0.024 0.000 2.127 162 R HA -0.133 4.210 4.340 0.004 0.000 0.238 162 R C 2.295 178.623 176.300 0.047 0.000 1.134 162 R CA 1.249 57.370 56.100 0.034 0.000 0.975 162 R CB -0.361 29.963 30.300 0.040 0.000 0.865 162 R HN 0.327 nan 8.270 nan 0.000 0.447 163 A N 1.564 124.416 122.820 0.053 0.000 2.121 163 A HA -0.139 4.183 4.320 0.004 0.000 0.218 163 A C 1.567 179.174 177.584 0.038 0.000 1.154 163 A CA 1.028 53.092 52.037 0.046 0.000 0.679 163 A CB -0.173 18.854 19.000 0.046 0.000 0.795 163 A HN 0.404 nan 8.150 nan 0.000 0.458 164 R N -1.096 119.428 120.500 0.039 0.000 2.629 164 R HA 0.301 4.643 4.340 0.004 0.000 0.408 164 R C 1.183 177.506 176.300 0.037 0.000 1.057 164 R CA 0.271 56.394 56.100 0.039 0.000 1.119 164 R CB -0.514 29.814 30.300 0.047 0.000 1.403 164 R HN 0.439 nan 8.270 nan 0.000 0.576 165 Q N 1.026 120.848 119.800 0.036 0.000 2.084 165 Q HA -0.145 4.198 4.340 0.004 0.000 0.202 165 Q C 1.270 177.288 176.000 0.030 0.000 0.978 165 Q CA 1.587 57.412 55.803 0.038 0.000 0.844 165 Q CB 0.235 29.002 28.738 0.047 0.000 0.898 165 Q HN 0.349 nan 8.270 nan 0.000 0.426 166 Q N 0.381 120.197 119.800 0.027 0.000 2.187 166 Q HA -0.112 4.230 4.340 0.004 0.000 0.199 166 Q C 1.741 177.745 176.000 0.008 0.000 0.957 166 Q CA 1.149 56.962 55.803 0.017 0.000 0.857 166 Q CB -0.156 28.592 28.738 0.017 0.000 0.929 166 Q HN 0.373 nan 8.270 nan 0.000 0.453 167 K N 0.712 121.120 120.400 0.013 0.000 2.057 167 K HA -0.234 4.089 4.320 0.004 0.000 0.207 167 K C 2.026 178.624 176.600 -0.003 0.000 1.049 167 K CA 1.459 57.751 56.287 0.009 0.000 0.931 167 K CB 0.165 32.679 32.500 0.024 0.000 0.714 167 K HN -0.047 nan 8.250 nan 0.000 0.440 168 Q N 0.541 120.348 119.800 0.010 0.000 2.119 168 Q HA -0.024 4.318 4.340 0.004 0.000 0.201 168 Q C 1.751 177.731 176.000 -0.032 0.000 0.972 168 Q CA 1.797 57.600 55.803 0.001 0.000 0.847 168 Q CB -0.334 28.422 28.738 0.031 0.000 0.903 168 Q HN 0.406 nan 8.270 nan 0.000 0.433 169 A N 0.642 123.450 122.820 -0.020 0.000 1.940 169 A HA -0.234 4.088 4.320 0.004 0.000 0.219 169 A C 1.953 179.513 177.584 -0.041 0.000 1.176 169 A CA 1.839 53.858 52.037 -0.029 0.000 0.631 169 A CB -0.442 18.547 19.000 -0.019 0.000 0.814 169 A HN 0.402 nan 8.150 nan 0.000 0.446 170 K N -0.622 119.753 120.400 -0.041 0.000 2.103 170 K HA 0.077 4.399 4.320 0.004 0.000 0.204 170 K C 1.866 178.418 176.600 -0.080 0.000 1.052 170 K CA 1.001 57.259 56.287 -0.048 0.000 0.945 170 K CB -0.310 32.168 32.500 -0.036 0.000 0.722 170 K HN 0.448 nan 8.250 nan 0.000 0.443 171 L N 0.746 121.900 121.223 -0.116 0.000 2.017 171 L HA -0.195 4.147 4.340 0.004 0.000 0.208 171 L C 2.439 179.186 176.870 -0.204 0.000 1.073 171 L CA 1.392 56.105 54.840 -0.212 0.000 0.745 171 L CB -0.746 41.108 42.059 -0.341 0.000 0.894 171 L HN 0.197 nan 8.230 nan 0.000 0.432 172 T N -1.082 113.377 114.554 -0.158 0.000 2.684 172 T HA -0.252 4.100 4.350 0.004 0.000 0.267 172 T C 1.767 176.414 174.700 -0.089 0.000 1.036 172 T CA 1.697 63.710 62.100 -0.146 0.000 1.148 172 T CB -0.196 68.601 68.868 -0.118 0.000 0.863 172 T HN 0.242 nan 8.240 nan 0.000 0.436 173 E N 1.373 121.539 120.200 -0.057 0.000 2.209 173 E HA -0.147 4.205 4.350 0.004 0.000 0.196 173 E C 1.754 178.327 176.600 -0.045 0.000 0.993 173 E CA 1.054 57.433 56.400 -0.034 0.000 0.819 173 E CB -0.335 29.347 29.700 -0.030 0.000 0.745 173 E HN 0.372 nan 8.360 nan 0.000 0.477 174 D N -1.339 119.019 120.400 -0.069 0.000 2.349 174 D HA 0.038 4.681 4.640 0.004 0.000 0.224 174 D C 0.521 176.783 176.300 -0.064 0.000 1.029 174 D CA 0.889 54.850 54.000 -0.064 0.000 0.879 174 D CB 0.289 41.039 40.800 -0.083 0.000 0.906 174 D HN 0.379 nan 8.370 nan 0.000 0.528 175 G N 0.970 109.719 108.800 -0.085 0.000 2.131 175 G HA2 -0.222 3.740 3.960 0.004 0.000 0.201 175 G HA3 -0.222 3.740 3.960 0.004 0.000 0.201 175 G C 0.226 175.061 174.900 -0.108 0.000 1.000 175 G CA -0.294 44.757 45.100 -0.083 0.000 0.680 175 G HN 0.308 nan 8.290 nan 0.000 0.514 176 L N 0.846 121.962 121.223 -0.177 0.000 2.495 176 L HA 0.339 4.681 4.340 0.004 0.000 0.248 176 L C -2.365 174.409 176.870 -0.161 0.000 1.229 176 L CA -1.970 52.764 54.840 -0.176 0.000 0.942 176 L CB 1.731 43.500 42.059 -0.482 0.000 1.242 176 L HN -0.094 nan 8.230 nan 0.000 0.484 177 P HA 0.188 nan 4.420 nan 0.000 0.274 177 P C -0.928 176.459 177.300 0.145 0.000 1.246 177 P CA -0.413 62.581 63.100 -0.178 0.000 0.795 177 P CB 1.028 32.390 31.700 -0.564 0.000 1.006 178 L N 1.197 122.434 121.223 0.025 0.000 2.341 178 L HA 0.765 5.107 4.340 0.004 0.000 0.278 178 L C -0.177 176.545 176.870 -0.246 0.000 1.005 178 L CA -0.185 54.665 54.840 0.016 0.000 0.818 178 L CB 1.146 43.215 42.059 0.016 0.000 1.259 178 L HN 0.462 nan 8.230 nan 0.000 0.418 179 G N 3.898 112.436 108.800 -0.436 0.000 2.420 179 G HA2 0.631 4.593 3.960 0.004 0.000 0.331 179 G HA3 0.631 4.593 3.960 0.004 0.000 0.331 179 G C -1.636 172.965 174.900 -0.499 0.000 1.168 179 G CA -0.528 43.904 45.100 -1.113 0.000 0.936 179 G HN 0.503 nan 8.290 nan 0.000 0.479 180 V N 2.415 122.094 119.914 -0.392 0.000 2.487 180 V HA 0.376 4.498 4.120 0.004 0.000 0.298 180 V C -0.519 175.522 176.094 -0.088 0.000 1.028 180 V CA -1.218 60.975 62.300 -0.178 0.000 0.860 180 V CB 1.688 33.440 31.823 -0.119 0.000 0.991 180 V HN 0.748 nan 8.190 nan 0.000 0.427 181 N N 5.145 123.812 118.700 -0.055 0.000 2.419 181 N HA 0.504 5.247 4.740 0.004 0.000 0.277 181 N C -1.207 174.288 175.510 -0.026 0.000 1.006 181 N CA -0.351 52.702 53.050 0.006 0.000 0.923 181 N CB 1.473 39.973 38.487 0.022 0.000 1.140 181 N HN 0.612 nan 8.380 nan 0.000 0.488 182 L N 2.189 123.431 121.223 0.031 0.000 2.317 182 L HA 0.631 4.973 4.340 0.004 0.000 0.281 182 L C 1.127 177.996 176.870 -0.002 0.000 1.024 182 L CA -0.798 54.047 54.840 0.009 0.000 0.810 182 L CB 1.785 43.921 42.059 0.128 0.000 1.240 182 L HN 0.519 nan 8.230 nan 0.000 0.427 183 G N 2.022 110.634 108.800 -0.314 0.000 3.175 183 G HA2 0.693 4.656 3.960 0.004 0.000 0.255 183 G HA3 0.693 4.656 3.960 0.004 0.000 0.255 183 G C -1.456 173.085 174.900 -0.598 0.000 1.352 183 G CA -0.553 44.212 45.100 -0.560 0.000 1.037 183 G HN 0.613 nan 8.290 nan 0.000 0.556 184 K N -0.867 119.290 120.400 -0.406 0.000 2.435 184 K HA 0.466 4.788 4.320 0.004 0.000 0.251 184 K C -0.862 175.713 176.600 -0.042 0.000 0.954 184 K CA -0.854 55.252 56.287 -0.302 0.000 0.820 184 K CB 2.002 34.323 32.500 -0.298 0.000 1.292 184 K HN 0.387 nan 8.250 nan 0.000 0.436 185 N N 1.342 120.011 118.700 -0.052 0.000 2.453 185 N HA -0.014 4.729 4.740 0.004 0.000 0.253 185 N C 0.582 176.133 175.510 0.069 0.000 1.252 185 N CA -0.226 52.838 53.050 0.024 0.000 0.917 185 N CB 1.073 39.556 38.487 -0.006 0.000 1.117 185 N HN 0.683 nan 8.380 nan 0.000 0.442 186 K N 0.263 120.717 120.400 0.090 0.000 2.063 186 K HA -0.154 4.168 4.320 0.004 0.000 0.208 186 K C 1.065 177.695 176.600 0.050 0.000 1.048 186 K CA 1.573 57.907 56.287 0.078 0.000 0.928 186 K CB -0.079 32.463 32.500 0.071 0.000 0.713 186 K HN 0.765 nan 8.250 nan 0.000 0.442 187 T N -1.593 112.983 114.554 0.037 0.000 3.163 187 T HA 0.121 4.473 4.350 0.004 0.000 0.252 187 T C 0.482 175.194 174.700 0.019 0.000 1.056 187 T CA -0.420 61.696 62.100 0.026 0.000 0.947 187 T CB 0.325 69.205 68.868 0.021 0.000 1.016 187 T HN 0.054 nan 8.240 nan 0.000 0.554 188 S N 0.299 116.010 115.700 0.018 0.000 2.549 188 S HA 0.239 4.712 4.470 0.004 0.000 0.283 188 S C 1.184 175.795 174.600 0.017 0.000 1.320 188 S CA -0.649 57.556 58.200 0.008 0.000 1.058 188 S CB 0.706 63.901 63.200 -0.008 0.000 0.882 188 S HN 0.240 nan 8.310 nan 0.000 0.498 189 V N 3.024 122.947 119.914 0.014 0.000 3.354 189 V HA 0.195 4.318 4.120 0.004 0.000 0.258 189 V C 0.495 176.604 176.094 0.025 0.000 1.159 189 V CA 0.722 63.033 62.300 0.020 0.000 1.125 189 V CB -0.085 31.747 31.823 0.015 0.000 0.774 189 V HN 0.837 nan 8.190 nan 0.000 0.464 190 D N -0.366 120.048 120.400 0.024 0.000 2.389 190 D HA 0.494 5.136 4.640 0.004 0.000 0.256 190 D C 0.812 177.138 176.300 0.044 0.000 1.239 190 D CA 0.345 54.365 54.000 0.034 0.000 0.925 190 D CB 1.698 42.514 40.800 0.028 0.000 1.145 190 D HN 0.052 nan 8.370 nan 0.000 0.542 191 A N 3.211 126.076 122.820 0.075 0.000 1.908 191 A HA -0.035 4.287 4.320 0.004 0.000 0.218 191 A C 2.100 179.804 177.584 0.200 0.000 1.181 191 A CA 1.918 54.026 52.037 0.118 0.000 0.627 191 A CB -0.467 18.650 19.000 0.195 0.000 0.818 191 A HN 0.590 nan 8.150 nan 0.000 0.445 192 A N -0.536 122.400 122.820 0.193 0.000 1.972 192 A HA -0.139 4.184 4.320 0.004 0.000 0.219 192 A C 1.960 179.639 177.584 0.157 0.000 1.169 192 A CA 2.143 54.307 52.037 0.212 0.000 0.635 192 A CB -0.409 18.662 19.000 0.117 0.000 0.810 192 A HN 0.538 nan 8.150 nan 0.000 0.446 193 E N 0.502 120.752 120.200 0.084 0.000 2.107 193 E HA -0.137 4.216 4.350 0.004 0.000 0.191 193 E C 1.305 177.910 176.600 0.009 0.000 0.982 193 E CA 1.412 57.838 56.400 0.044 0.000 0.809 193 E CB -0.301 29.413 29.700 0.023 0.000 0.756 193 E HN 0.515 nan 8.360 nan 0.000 0.459 194 D N -0.748 119.627 120.400 -0.042 0.000 2.104 194 D HA -0.179 4.463 4.640 0.004 0.000 0.194 194 D C 1.614 177.804 176.300 -0.183 0.000 0.994 194 D CA 1.274 55.179 54.000 -0.159 0.000 0.830 194 D CB -0.367 40.259 40.800 -0.289 0.000 0.959 194 D HN 0.351 nan 8.370 nan 0.000 0.452 195 Y N 0.744 121.044 120.300 0.000 0.000 2.242 195 Y HA -0.078 4.474 4.550 0.004 0.000 0.291 195 Y C 2.447 178.346 175.900 -0.002 0.000 1.137 195 Y CA 0.936 59.035 58.100 -0.002 0.000 1.181 195 Y CB -0.324 38.143 38.460 0.011 0.000 0.989 195 Y HN -0.071 nan 8.280 nan 0.000 0.527 196 A N 0.403 123.309 122.820 0.144 0.000 1.908 196 A HA -0.239 4.083 4.320 0.004 0.000 0.218 196 A C 1.998 179.606 177.584 0.040 0.000 1.181 196 A CA 1.959 54.045 52.037 0.081 0.000 0.627 196 A CB -0.614 18.423 19.000 0.062 0.000 0.818 196 A HN 0.529 nan 8.150 nan 0.000 0.445 197 E N -0.731 119.478 120.200 0.014 0.000 2.077 197 E HA -0.123 4.230 4.350 0.004 0.000 0.193 197 E C 2.154 178.744 176.600 -0.015 0.000 0.989 197 E CA 0.791 57.185 56.400 -0.010 0.000 0.800 197 E CB -0.398 29.284 29.700 -0.031 0.000 0.746 197 E HN 0.617 nan 8.360 nan 0.000 0.452 198 G N 0.988 109.779 108.800 -0.015 0.000 2.418 198 G HA2 -0.246 3.716 3.960 0.004 0.000 0.217 198 G HA3 -0.246 3.716 3.960 0.004 0.000 0.217 198 G C 1.753 176.658 174.900 0.010 0.000 1.158 198 G CA 0.805 45.896 45.100 -0.014 0.000 0.771 198 G HN 0.123 nan 8.290 nan 0.000 0.545 199 V N 0.643 120.580 119.914 0.038 0.000 2.343 199 V HA -0.188 3.934 4.120 0.004 0.000 0.247 199 V C 2.924 179.028 176.094 0.018 0.000 1.051 199 V CA 2.056 64.379 62.300 0.038 0.000 1.036 199 V CB -0.467 31.388 31.823 0.053 0.000 0.654 199 V HN 0.322 nan 8.190 nan 0.000 0.451 200 R N -0.623 119.882 120.500 0.008 0.000 2.092 200 R HA -0.072 4.271 4.340 0.004 0.000 0.231 200 R C 2.163 178.448 176.300 -0.025 0.000 1.119 200 R CA 1.299 57.395 56.100 -0.006 0.000 0.970 200 R CB -0.313 29.982 30.300 -0.008 0.000 0.864 200 R HN 0.429 nan 8.270 nan 0.000 0.440 201 V N 0.589 120.483 119.914 -0.032 0.000 2.500 201 V HA -0.072 4.050 4.120 0.004 0.000 0.243 201 V C 1.950 178.010 176.094 -0.056 0.000 1.039 201 V CA 1.301 63.568 62.300 -0.054 0.000 1.053 201 V CB -0.069 31.717 31.823 -0.062 0.000 0.695 201 V HN 0.244 nan 8.190 nan 0.000 0.463 202 L N -0.196 121.004 121.223 -0.039 0.000 2.609 202 L HA 0.285 4.627 4.340 0.004 0.000 0.230 202 L C 2.452 179.315 176.870 -0.012 0.000 1.087 202 L CA 0.784 55.602 54.840 -0.035 0.000 0.874 202 L CB -0.582 41.452 42.059 -0.043 0.000 1.114 202 L HN 0.420 nan 8.230 nan 0.000 0.488 203 G N 2.045 110.848 108.800 0.004 0.000 2.469 203 G HA2 -0.215 3.747 3.960 0.004 0.000 0.219 203 G HA3 -0.215 3.747 3.960 0.004 0.000 0.219 203 G C -0.829 174.102 174.900 0.053 0.000 1.150 203 G CA 0.801 45.918 45.100 0.029 0.000 0.763 203 G HN 0.294 nan 8.290 nan 0.000 0.561 204 P HA 0.050 nan 4.420 nan 0.000 0.228 204 P C 1.318 178.724 177.300 0.177 0.000 1.151 204 P CA 0.733 63.899 63.100 0.111 0.000 0.770 204 P CB -0.003 31.660 31.700 -0.061 0.000 0.786 205 L N -2.829 118.437 121.223 0.072 0.000 2.693 205 L HA 0.348 4.691 4.340 0.004 0.000 0.235 205 L C 0.834 177.713 176.870 0.015 0.000 1.127 205 L CA -0.372 54.499 54.840 0.052 0.000 0.914 205 L CB 0.148 42.213 42.059 0.009 0.000 1.193 205 L HN -0.171 nan 8.230 nan 0.000 0.502 206 A N -0.866 121.959 122.820 0.009 0.000 2.350 206 A HA 0.414 4.737 4.320 0.004 0.000 0.324 206 A C 0.029 177.600 177.584 -0.023 0.000 1.118 206 A CA -0.539 51.472 52.037 -0.044 0.000 0.783 206 A CB 0.957 19.915 19.000 -0.070 0.000 1.236 206 A HN 0.018 nan 8.150 nan 0.000 0.457 207 D N -0.258 120.090 120.400 -0.086 0.000 2.162 207 D HA 0.064 4.706 4.640 0.004 0.000 0.203 207 D C -0.048 176.333 176.300 0.135 0.000 0.967 207 D CA 2.087 56.041 54.000 -0.076 0.000 0.840 207 D CB 0.036 40.596 40.800 -0.399 0.000 0.972 207 D HN 0.666 nan 8.370 nan 0.000 0.482 208 Y N -1.299 119.021 120.300 0.033 0.000 2.562 208 Y HA 0.596 5.148 4.550 0.003 0.000 0.345 208 Y C -1.334 174.606 175.900 0.066 0.000 1.045 208 Y CA -1.306 56.838 58.100 0.073 0.000 1.028 208 Y CB 0.972 39.491 38.460 0.098 0.000 1.297 208 Y HN -0.343 nan 8.280 nan 0.000 0.463 209 L N 3.355 124.719 121.223 0.234 0.000 2.331 209 L HA 0.772 5.114 4.340 0.004 0.000 0.275 209 L C -0.960 176.060 176.870 0.249 0.000 1.022 209 L CA -1.491 53.437 54.840 0.146 0.000 0.812 209 L CB 2.071 44.190 42.059 0.100 0.000 1.257 209 L HN 0.609 nan 8.230 nan 0.000 0.435 210 V N 2.793 122.820 119.914 0.188 0.000 2.409 210 V HA 0.277 4.400 4.120 0.004 0.000 0.291 210 V C -0.079 176.086 176.094 0.118 0.000 1.020 210 V CA -0.720 61.688 62.300 0.181 0.000 0.848 210 V CB 1.925 33.876 31.823 0.213 0.000 0.990 210 V HN 0.385 nan 8.190 nan 0.000 0.430 211 V N 4.400 124.350 119.914 0.060 0.000 2.356 211 V HA 0.212 4.334 4.120 0.004 0.000 0.258 211 V C 0.478 176.570 176.094 -0.003 0.000 1.065 211 V CA -0.326 61.953 62.300 -0.035 0.000 0.935 211 V CB 0.790 32.495 31.823 -0.195 0.000 1.061 211 V HN 0.872 nan 8.190 nan 0.000 0.484 212 N N 4.577 123.355 118.700 0.130 0.000 2.439 212 N HA 0.109 4.851 4.740 0.004 0.000 0.243 212 N C -0.032 175.607 175.510 0.215 0.000 1.088 212 N CA 0.087 53.251 53.050 0.191 0.000 0.940 212 N CB 1.546 40.196 38.487 0.272 0.000 1.180 212 N HN 0.384 nan 8.380 nan 0.000 0.505 213 V N 2.805 122.783 119.914 0.107 0.000 3.121 213 V HA 0.206 4.329 4.120 0.004 0.000 0.344 213 V C 0.594 176.749 176.094 0.102 0.000 1.390 213 V CA 0.545 62.902 62.300 0.095 0.000 1.177 213 V CB -0.629 31.188 31.823 -0.011 0.000 1.163 213 V HN 0.750 nan 8.190 nan 0.000 0.484 214 S N -1.723 114.051 115.700 0.123 0.000 2.847 214 S HA 0.238 4.710 4.470 0.004 0.000 0.254 214 S C 0.653 175.297 174.600 0.074 0.000 1.039 214 S CA 0.267 58.518 58.200 0.085 0.000 1.113 214 S CB 0.290 63.534 63.200 0.073 0.000 1.092 214 S HN 0.433 nan 8.310 nan 0.000 0.620 215 S N 3.993 119.743 115.700 0.084 0.000 2.525 215 S HA 0.255 4.727 4.470 0.004 0.000 0.285 215 S C -1.332 173.231 174.600 -0.061 0.000 1.283 215 S CA -0.913 57.271 58.200 -0.026 0.000 1.072 215 S CB 0.761 63.808 63.200 -0.256 0.000 0.867 215 S HN 0.291 nan 8.310 nan 0.000 0.492 216 P HA 0.103 nan 4.420 nan 0.000 0.245 216 P C -0.037 177.222 177.300 -0.069 0.000 1.212 216 P CA 0.396 63.472 63.100 -0.040 0.000 0.774 216 P CB 0.067 31.756 31.700 -0.017 0.000 0.999 217 N N -0.724 117.894 118.700 -0.136 0.000 2.204 217 N HA 0.085 4.827 4.740 0.004 0.000 0.219 217 N C -0.262 175.136 175.510 -0.185 0.000 1.151 217 N CA 0.311 53.276 53.050 -0.141 0.000 0.867 217 N CB 0.757 39.164 38.487 -0.133 0.000 1.043 217 N HN 0.000 nan 8.380 nan 0.000 0.516 218 T N 0.522 114.959 114.554 -0.195 0.000 2.840 218 T HA 0.489 4.842 4.350 0.004 0.000 0.287 218 T C -0.150 174.528 174.700 -0.037 0.000 0.991 218 T CA -0.629 61.397 62.100 -0.123 0.000 0.964 218 T CB 2.123 70.899 68.868 -0.152 0.000 0.954 218 T HN 0.132 nan 8.240 nan 0.000 0.438 219 A N 1.984 124.799 122.820 -0.009 0.000 2.548 219 A HA 0.521 4.843 4.320 0.004 0.000 0.247 219 A C 1.596 179.195 177.584 0.025 0.000 1.067 219 A CA 0.655 52.696 52.037 0.006 0.000 0.757 219 A CB -0.824 18.183 19.000 0.010 0.000 0.996 219 A HN 1.692 nan 8.150 nan 0.000 0.504 220 G N 1.238 110.054 108.800 0.026 0.000 2.199 220 G HA2 -0.257 3.705 3.960 0.004 0.000 0.254 220 G HA3 -0.257 3.705 3.960 0.004 0.000 0.254 220 G C 0.838 175.772 174.900 0.057 0.000 0.982 220 G CA 0.714 45.838 45.100 0.039 0.000 0.632 220 G HN 1.351 nan 8.290 nan 0.000 0.529 221 L N 0.660 121.922 121.223 0.065 0.000 2.056 221 L HA 0.251 4.593 4.340 0.004 0.000 0.207 221 L C 2.721 179.645 176.870 0.090 0.000 1.078 221 L CA 2.675 57.580 54.840 0.107 0.000 0.749 221 L CB -0.412 41.721 42.059 0.123 0.000 0.901 221 L HN 0.365 nan 8.230 nan 0.000 0.433 222 R N -0.882 119.652 120.500 0.057 0.000 2.237 222 R HA -0.065 4.277 4.340 0.004 0.000 0.219 222 R C 2.281 178.604 176.300 0.038 0.000 1.080 222 R CA 1.062 57.189 56.100 0.046 0.000 0.995 222 R CB -0.361 29.957 30.300 0.030 0.000 0.875 222 R HN 0.614 nan 8.270 nan 0.000 0.462 223 S N 0.549 116.273 115.700 0.039 0.000 2.481 223 S HA -0.024 4.448 4.470 0.004 0.000 0.231 223 S C 1.788 176.408 174.600 0.034 0.000 0.996 223 S CA 0.578 58.797 58.200 0.032 0.000 0.942 223 S CB -0.207 63.011 63.200 0.031 0.000 0.768 223 S HN 0.257 nan 8.310 nan 0.000 0.520 224 L N 0.614 121.863 121.223 0.044 0.000 2.549 224 L HA 0.025 4.367 4.340 0.004 0.000 0.229 224 L C 2.538 179.414 176.870 0.011 0.000 1.158 224 L CA 0.682 55.543 54.840 0.035 0.000 0.842 224 L CB -0.566 41.526 42.059 0.053 0.000 0.952 224 L HN 0.421 nan 8.230 nan 0.000 0.452 225 Q N 0.135 119.944 119.800 0.016 0.000 2.435 225 Q HA 0.056 4.398 4.340 0.004 0.000 0.207 225 Q C 1.287 177.291 176.000 0.006 0.000 0.956 225 Q CA 0.179 55.986 55.803 0.008 0.000 0.917 225 Q CB 0.047 28.794 28.738 0.015 0.000 0.997 225 Q HN 0.503 nan 8.270 nan 0.000 0.497 226 G N 0.944 109.751 108.800 0.010 0.000 2.554 226 G HA2 -0.089 3.873 3.960 0.004 0.000 0.238 226 G HA3 -0.089 3.873 3.960 0.004 0.000 0.238 226 G C 0.353 175.256 174.900 0.005 0.000 1.259 226 G CA -0.306 44.799 45.100 0.009 0.000 0.843 226 G HN 0.126 nan 8.290 nan 0.000 0.582 227 K N 1.206 121.609 120.400 0.004 0.000 2.032 227 K HA -0.128 4.194 4.320 0.004 0.000 0.209 227 K C 2.674 179.275 176.600 0.002 0.000 1.048 227 K CA 1.819 58.107 56.287 0.001 0.000 0.927 227 K CB -0.221 32.280 32.500 0.002 0.000 0.712 227 K HN 0.499 nan 8.250 nan 0.000 0.441 228 A N 0.947 123.770 122.820 0.005 0.000 1.872 228 A HA -0.155 4.167 4.320 0.004 0.000 0.214 228 A C 1.923 179.512 177.584 0.007 0.000 1.187 228 A CA 1.608 53.649 52.037 0.006 0.000 0.614 228 A CB -0.531 18.474 19.000 0.008 0.000 0.826 228 A HN 0.454 nan 8.150 nan 0.000 0.442 229 E N -0.801 119.405 120.200 0.010 0.000 2.085 229 E HA -0.202 4.150 4.350 0.004 0.000 0.194 229 E C 1.938 178.540 176.600 0.004 0.000 0.994 229 E CA 1.290 57.698 56.400 0.014 0.000 0.801 229 E CB -0.220 29.492 29.700 0.020 0.000 0.743 229 E HN 0.476 nan 8.360 nan 0.000 0.453 230 L N 1.168 122.389 121.223 -0.004 0.000 2.056 230 L HA -0.160 4.182 4.340 0.004 0.000 0.207 230 L C 2.360 179.219 176.870 -0.018 0.000 1.078 230 L CA 1.684 56.513 54.840 -0.019 0.000 0.749 230 L CB -0.283 41.766 42.059 -0.018 0.000 0.901 230 L HN -0.060 nan 8.230 nan 0.000 0.433 231 R N -0.574 119.920 120.500 -0.009 0.000 2.081 231 R HA -0.204 4.138 4.340 0.004 0.000 0.235 231 R C 2.571 178.868 176.300 -0.003 0.000 1.131 231 R CA 1.712 57.808 56.100 -0.007 0.000 0.960 231 R CB -0.312 29.986 30.300 -0.003 0.000 0.856 231 R HN 0.380 nan 8.270 nan 0.000 0.436 232 R N 0.489 120.991 120.500 0.002 0.000 2.073 232 R HA -0.159 4.183 4.340 0.004 0.000 0.234 232 R C 2.376 178.681 176.300 0.009 0.000 1.134 232 R CA 1.619 57.724 56.100 0.008 0.000 0.952 232 R CB -0.435 29.873 30.300 0.015 0.000 0.850 232 R HN 0.291 nan 8.270 nan 0.000 0.433 233 L N 1.150 122.375 121.223 0.003 0.000 2.017 233 L HA -0.127 4.215 4.340 0.004 0.000 0.208 233 L C 2.041 178.898 176.870 -0.021 0.000 1.073 233 L CA 1.730 56.567 54.840 -0.005 0.000 0.745 233 L CB -0.361 41.674 42.059 -0.040 0.000 0.894 233 L HN 0.249 nan 8.230 nan 0.000 0.432 234 L N -1.301 119.902 121.223 -0.033 0.000 2.217 234 L HA -0.117 4.225 4.340 0.004 0.000 0.211 234 L C 2.298 179.163 176.870 -0.009 0.000 1.107 234 L CA 1.181 56.002 54.840 -0.032 0.000 0.783 234 L CB -0.950 41.089 42.059 -0.034 0.000 0.919 234 L HN 0.284 nan 8.230 nan 0.000 0.442 235 T N -0.282 114.271 114.554 -0.003 0.000 2.746 235 T HA -0.240 4.113 4.350 0.004 0.000 0.267 235 T C 1.933 176.640 174.700 0.012 0.000 1.039 235 T CA 1.544 63.647 62.100 0.005 0.000 1.142 235 T CB -0.047 68.824 68.868 0.006 0.000 0.866 235 T HN 0.254 nan 8.240 nan 0.000 0.444 236 K N 0.713 121.123 120.400 0.017 0.000 2.025 236 K HA -0.063 4.259 4.320 0.004 0.000 0.207 236 K C 2.225 178.844 176.600 0.031 0.000 1.049 236 K CA 0.983 57.286 56.287 0.027 0.000 0.933 236 K CB -0.333 32.189 32.500 0.037 0.000 0.714 236 K HN 0.103 nan 8.250 nan 0.000 0.438 237 V N 1.861 121.792 119.914 0.030 0.000 2.287 237 V HA -0.279 3.844 4.120 0.004 0.000 0.248 237 V C 2.333 178.445 176.094 0.030 0.000 1.053 237 V CA 1.788 64.109 62.300 0.035 0.000 1.027 237 V CB -0.387 31.445 31.823 0.014 0.000 0.646 237 V HN 0.346 nan 8.190 nan 0.000 0.447 238 L N -0.550 120.685 121.223 0.020 0.000 2.093 238 L HA -0.213 4.129 4.340 0.004 0.000 0.208 238 L C 2.625 179.508 176.870 0.022 0.000 1.085 238 L CA 1.702 56.554 54.840 0.021 0.000 0.755 238 L CB -0.560 41.507 42.059 0.013 0.000 0.904 238 L HN 0.425 nan 8.230 nan 0.000 0.435 239 Q N 0.019 119.831 119.800 0.020 0.000 2.084 239 Q HA -0.220 4.122 4.340 0.004 0.000 0.202 239 Q C 2.064 178.077 176.000 0.023 0.000 0.978 239 Q CA 1.344 57.159 55.803 0.020 0.000 0.844 239 Q CB 0.187 28.936 28.738 0.018 0.000 0.898 239 Q HN 0.377 nan 8.270 nan 0.000 0.426 240 E N 0.433 120.649 120.200 0.027 0.000 2.077 240 E HA -0.188 4.165 4.350 0.004 0.000 0.193 240 E C 1.951 178.569 176.600 0.030 0.000 0.989 240 E CA 0.709 57.126 56.400 0.028 0.000 0.800 240 E CB -0.316 29.404 29.700 0.034 0.000 0.746 240 E HN 0.255 nan 8.360 nan 0.000 0.452 241 R N 1.310 121.831 120.500 0.035 0.000 2.073 241 R HA -0.140 4.203 4.340 0.004 0.000 0.234 241 R C 1.227 177.550 176.300 0.038 0.000 1.134 241 R CA 1.444 57.569 56.100 0.041 0.000 0.952 241 R CB -0.353 29.974 30.300 0.046 0.000 0.850 241 R HN 0.061 nan 8.270 nan 0.000 0.433 242 D N -0.720 119.699 120.400 0.031 0.000 2.264 242 D HA -0.064 4.579 4.640 0.004 0.000 0.208 242 D C 1.447 177.763 176.300 0.026 0.000 0.966 242 D CA 1.275 55.291 54.000 0.027 0.000 0.864 242 D CB -0.343 40.469 40.800 0.021 0.000 0.933 242 D HN 0.488 nan 8.370 nan 0.000 0.499 243 G N -0.205 108.610 108.800 0.025 0.000 2.920 243 G HA2 0.097 4.060 3.960 0.004 0.000 0.208 243 G HA3 0.097 4.060 3.960 0.004 0.000 0.208 243 G C 0.649 175.563 174.900 0.024 0.000 1.159 243 G CA -0.155 44.958 45.100 0.021 0.000 0.784 243 G HN 0.175 nan 8.290 nan 0.000 0.535 244 L N 0.396 121.639 121.223 0.033 0.000 2.399 244 L HA 0.407 4.750 4.340 0.004 0.000 0.266 244 L C 0.703 177.608 176.870 0.058 0.000 1.114 244 L CA -1.004 53.862 54.840 0.043 0.000 0.804 244 L CB 1.050 43.145 42.059 0.059 0.000 1.146 244 L HN 0.019 nan 8.230 nan 0.000 0.451 245 R N 0.771 121.315 120.500 0.073 0.000 2.679 245 R HA 0.001 4.343 4.340 0.004 0.000 0.268 245 R C 1.153 177.517 176.300 0.106 0.000 1.044 245 R CA -0.016 56.139 56.100 0.091 0.000 1.105 245 R CB 0.435 30.807 30.300 0.119 0.000 0.989 245 R HN 0.473 nan 8.270 nan 0.000 0.447 246 R N 1.562 122.101 120.500 0.065 0.000 2.096 246 R HA -0.174 4.168 4.340 0.004 0.000 0.240 246 R C 1.844 178.155 176.300 0.018 0.000 1.139 246 R CA 2.135 58.257 56.100 0.037 0.000 0.952 246 R CB -0.257 30.054 30.300 0.018 0.000 0.854 246 R HN 0.656 nan 8.270 nan 0.000 0.436 247 V N -2.382 117.526 119.914 -0.010 0.000 3.141 247 V HA -0.067 4.055 4.120 0.004 0.000 0.265 247 V C 0.936 176.890 176.094 -0.233 0.000 1.126 247 V CA 1.447 63.672 62.300 -0.126 0.000 1.141 247 V CB -0.450 31.256 31.823 -0.195 0.000 0.743 247 V HN 0.348 nan 8.190 nan 0.000 0.492 248 H N 0.751 119.836 119.070 0.024 0.000 2.469 248 H HA 0.433 4.991 4.556 0.004 0.000 0.286 248 H C 0.302 175.649 175.328 0.032 0.000 1.106 248 H CA -0.231 55.833 56.048 0.026 0.000 1.055 248 H CB 0.432 30.203 29.762 0.015 0.000 1.618 248 H HN 0.425 nan 8.280 nan 0.000 0.559 249 R N 2.992 123.556 120.500 0.107 0.000 2.239 249 R HA 0.221 4.564 4.340 0.004 0.000 0.332 249 R C -2.611 173.746 176.300 0.095 0.000 0.988 249 R CA -1.518 54.636 56.100 0.091 0.000 0.859 249 R CB 0.983 31.322 30.300 0.066 0.000 1.148 249 R HN 0.075 nan 8.270 nan 0.000 0.482 250 P HA 0.179 nan 4.420 nan 0.000 0.281 250 P C -0.836 176.547 177.300 0.138 0.000 1.249 250 P CA -0.465 62.715 63.100 0.134 0.000 0.810 250 P CB 1.319 33.086 31.700 0.113 0.000 1.008 251 A N 2.013 124.944 122.820 0.185 0.000 2.466 251 A HA 0.338 4.660 4.320 0.004 0.000 0.238 251 A C -0.036 177.644 177.584 0.160 0.000 1.074 251 A CA -0.122 52.010 52.037 0.158 0.000 0.774 251 A CB -0.128 18.980 19.000 0.178 0.000 1.015 251 A HN 0.380 nan 8.150 nan 0.000 0.498 252 V N 3.056 123.034 119.914 0.106 0.000 2.448 252 V HA 0.455 4.577 4.120 0.004 0.000 0.295 252 V C -0.556 175.579 176.094 0.068 0.000 1.025 252 V CA -0.260 62.098 62.300 0.097 0.000 0.859 252 V CB 1.042 32.902 31.823 0.061 0.000 0.988 252 V HN 0.724 nan 8.190 nan 0.000 0.431 253 L N 5.028 126.302 121.223 0.086 0.000 2.319 253 L HA 0.722 5.065 4.340 0.004 0.000 0.267 253 L C -0.309 176.585 176.870 0.041 0.000 1.011 253 L CA -0.572 54.293 54.840 0.042 0.000 0.818 253 L CB 2.164 44.232 42.059 0.015 0.000 1.316 253 L HN 0.355 nan 8.230 nan 0.000 0.432 254 V N 1.141 121.065 119.914 0.016 0.000 2.459 254 V HA 0.456 4.578 4.120 0.004 0.000 0.295 254 V C -0.225 175.885 176.094 0.026 0.000 1.029 254 V CA -0.894 61.411 62.300 0.008 0.000 0.874 254 V CB 1.637 33.451 31.823 -0.015 0.000 0.985 254 V HN 0.642 nan 8.190 nan 0.000 0.438 255 K N 5.657 126.083 120.400 0.044 0.000 2.213 255 K HA 0.683 5.006 4.320 0.004 0.000 0.270 255 K C -0.597 176.036 176.600 0.055 0.000 1.002 255 K CA -0.506 55.819 56.287 0.062 0.000 0.868 255 K CB 1.055 33.613 32.500 0.097 0.000 1.093 255 K HN 0.785 nan 8.250 nan 0.000 0.454 256 I N 0.461 121.059 120.570 0.048 0.000 2.910 256 I HA 0.682 4.854 4.170 0.004 0.000 0.310 256 I C -0.257 175.888 176.117 0.045 0.000 1.043 256 I CA -1.232 60.092 61.300 0.041 0.000 1.053 256 I CB 1.955 39.972 38.000 0.029 0.000 1.242 256 I HN 0.594 nan 8.210 nan 0.000 0.452 257 A N 3.560 126.404 122.820 0.040 0.000 2.313 257 A HA 0.577 4.899 4.320 0.004 0.000 0.261 257 A C -1.803 175.800 177.584 0.032 0.000 1.090 257 A CA -1.419 50.641 52.037 0.037 0.000 0.807 257 A CB -0.343 18.675 19.000 0.031 0.000 1.055 257 A HN 0.757 nan 8.150 nan 0.000 0.492 258 P HA 0.046 nan 4.420 nan 0.000 0.249 258 P C -0.262 177.051 177.300 0.021 0.000 1.229 258 P CA 0.718 63.834 63.100 0.026 0.000 0.788 258 P CB 0.293 32.009 31.700 0.026 0.000 1.072 259 D N -0.144 120.268 120.400 0.020 0.000 2.463 259 D HA 0.180 4.823 4.640 0.004 0.000 0.224 259 D C 0.621 176.930 176.300 0.015 0.000 1.174 259 D CA -0.073 53.936 54.000 0.015 0.000 0.829 259 D CB 0.418 41.225 40.800 0.013 0.000 0.993 259 D HN 0.234 nan 8.370 nan 0.000 0.497 260 L N 1.292 122.525 121.223 0.017 0.000 2.417 260 L HA 0.166 4.508 4.340 0.004 0.000 0.268 260 L C 1.448 178.326 176.870 0.014 0.000 1.158 260 L CA -0.357 54.492 54.840 0.016 0.000 0.819 260 L CB 0.721 42.791 42.059 0.018 0.000 1.112 260 L HN -0.027 nan 8.230 nan 0.000 0.458 261 T N -1.294 113.267 114.554 0.012 0.000 2.813 261 T HA 0.060 4.412 4.350 0.004 0.000 0.297 261 T C 1.223 175.931 174.700 0.012 0.000 1.036 261 T CA -0.520 61.587 62.100 0.011 0.000 1.044 261 T CB 1.023 69.896 68.868 0.009 0.000 0.993 261 T HN 0.583 nan 8.240 nan 0.000 0.535 262 S N 0.423 116.130 115.700 0.012 0.000 2.383 262 S HA -0.178 4.294 4.470 0.004 0.000 0.229 262 S C 2.062 176.669 174.600 0.011 0.000 1.030 262 S CA 1.513 59.721 58.200 0.013 0.000 1.002 262 S CB -0.585 62.622 63.200 0.012 0.000 0.829 262 S HN 0.863 nan 8.310 nan 0.000 0.467 263 Q N 1.648 121.454 119.800 0.009 0.000 2.084 263 Q HA -0.142 4.200 4.340 0.004 0.000 0.202 263 Q C 1.354 177.359 176.000 0.008 0.000 0.978 263 Q CA 1.706 57.513 55.803 0.008 0.000 0.844 263 Q CB -0.409 28.333 28.738 0.007 0.000 0.898 263 Q HN 0.350 nan 8.270 nan 0.000 0.426 264 D N 0.072 120.478 120.400 0.009 0.000 2.104 264 D HA -0.158 4.485 4.640 0.004 0.000 0.194 264 D C 1.652 177.958 176.300 0.009 0.000 0.994 264 D CA 1.359 55.365 54.000 0.009 0.000 0.830 264 D CB -0.057 40.749 40.800 0.011 0.000 0.959 264 D HN 0.363 nan 8.370 nan 0.000 0.452 265 K N 0.602 121.009 120.400 0.011 0.000 2.057 265 K HA -0.099 4.223 4.320 0.004 0.000 0.206 265 K C 2.141 178.746 176.600 0.008 0.000 1.050 265 K CA 0.828 57.123 56.287 0.013 0.000 0.935 265 K CB -0.059 32.452 32.500 0.018 0.000 0.715 265 K HN 0.225 nan 8.250 nan 0.000 0.439 266 E N 0.939 121.143 120.200 0.007 0.000 2.085 266 E HA -0.202 4.151 4.350 0.004 0.000 0.194 266 E C 1.637 178.237 176.600 -0.000 0.000 0.994 266 E CA 1.349 57.751 56.400 0.004 0.000 0.801 266 E CB -0.028 29.675 29.700 0.004 0.000 0.743 266 E HN 0.260 nan 8.360 nan 0.000 0.453 267 D N 0.477 120.877 120.400 0.001 0.000 2.117 267 D HA -0.094 4.549 4.640 0.004 0.000 0.198 267 D C 1.986 178.284 176.300 -0.003 0.000 0.982 267 D CA 0.739 54.738 54.000 -0.001 0.000 0.828 267 D CB -0.141 40.660 40.800 0.001 0.000 0.967 267 D HN 0.171 nan 8.370 nan 0.000 0.464 268 I N 1.116 121.685 120.570 -0.002 0.000 2.226 268 I HA -0.252 3.920 4.170 0.004 0.000 0.245 268 I C 2.444 178.555 176.117 -0.009 0.000 1.100 268 I CA 0.981 62.279 61.300 -0.005 0.000 1.374 268 I CB -0.187 37.812 38.000 -0.001 0.000 1.057 268 I HN -0.076 nan 8.210 nan 0.000 0.413 269 A N -0.181 122.633 122.820 -0.009 0.000 1.908 269 A HA -0.268 4.055 4.320 0.004 0.000 0.218 269 A C 2.495 180.067 177.584 -0.020 0.000 1.181 269 A CA 2.330 54.356 52.037 -0.017 0.000 0.627 269 A CB -0.885 18.105 19.000 -0.017 0.000 0.818 269 A HN 0.418 nan 8.150 nan 0.000 0.445 270 S N -0.705 114.986 115.700 -0.015 0.000 2.356 270 S HA -0.131 4.341 4.470 0.004 0.000 0.223 270 S C 1.911 176.502 174.600 -0.015 0.000 1.032 270 S CA 1.747 59.938 58.200 -0.015 0.000 1.005 270 S CB -0.513 62.681 63.200 -0.010 0.000 0.867 270 S HN 0.303 nan 8.310 nan 0.000 0.449 271 V N 1.421 121.327 119.914 -0.013 0.000 2.358 271 V HA -0.090 4.032 4.120 0.004 0.000 0.246 271 V C 2.522 178.607 176.094 -0.016 0.000 1.047 271 V CA 1.627 63.919 62.300 -0.013 0.000 1.035 271 V CB -0.721 31.095 31.823 -0.012 0.000 0.658 271 V HN 0.420 nan 8.190 nan 0.000 0.452 272 V N -0.099 119.804 119.914 -0.018 0.000 2.332 272 V HA -0.301 3.821 4.120 0.004 0.000 0.248 272 V C 2.436 178.516 176.094 -0.024 0.000 1.055 272 V CA 2.150 64.437 62.300 -0.021 0.000 1.038 272 V CB -0.648 31.160 31.823 -0.024 0.000 0.651 272 V HN 0.555 nan 8.190 nan 0.000 0.450 273 K N -0.522 119.862 120.400 -0.027 0.000 2.167 273 K HA -0.137 4.185 4.320 0.004 0.000 0.203 273 K C 2.203 178.790 176.600 -0.022 0.000 1.052 273 K CA 1.089 57.358 56.287 -0.029 0.000 0.956 273 K CB -0.109 32.371 32.500 -0.035 0.000 0.735 273 K HN 0.539 nan 8.250 nan 0.000 0.451 274 E N 1.207 121.397 120.200 -0.018 0.000 2.077 274 E HA -0.168 4.184 4.350 0.004 0.000 0.193 274 E C 1.603 178.196 176.600 -0.011 0.000 0.989 274 E CA 0.972 57.364 56.400 -0.013 0.000 0.800 274 E CB 0.154 29.848 29.700 -0.011 0.000 0.746 274 E HN 0.236 nan 8.360 nan 0.000 0.452 275 L N -0.992 120.224 121.223 -0.012 0.000 2.554 275 L HA 0.257 4.599 4.340 0.004 0.000 0.225 275 L C 1.283 178.149 176.870 -0.008 0.000 1.104 275 L CA 0.346 55.181 54.840 -0.008 0.000 0.866 275 L CB 0.494 42.548 42.059 -0.008 0.000 1.047 275 L HN 0.375 nan 8.230 nan 0.000 0.468 276 G N 1.249 110.042 108.800 -0.012 0.000 2.182 276 G HA2 -0.234 3.728 3.960 0.004 0.000 0.248 276 G HA3 -0.234 3.728 3.960 0.004 0.000 0.248 276 G C 0.299 175.193 174.900 -0.009 0.000 1.042 276 G CA -0.437 44.656 45.100 -0.012 0.000 0.775 276 G HN 0.127 nan 8.290 nan 0.000 0.501 277 I N 0.885 121.448 120.570 -0.011 0.000 2.880 277 I HA -0.003 4.169 4.170 0.004 0.000 0.296 277 I C 1.296 177.407 176.117 -0.011 0.000 1.220 277 I CA 0.447 61.742 61.300 -0.008 0.000 1.435 277 I CB 0.432 38.424 38.000 -0.013 0.000 1.339 277 I HN 0.165 nan 8.210 nan 0.000 0.583 278 D N 4.162 124.561 120.400 -0.002 0.000 2.234 278 D HA 0.099 4.741 4.640 0.004 0.000 0.205 278 D C 0.936 177.220 176.300 -0.026 0.000 0.962 278 D CA 0.732 54.729 54.000 -0.005 0.000 0.855 278 D CB 0.721 41.532 40.800 0.018 0.000 0.951 278 D HN 0.761 nan 8.370 nan 0.000 0.500 279 G N -0.515 108.267 108.800 -0.030 0.000 2.495 279 G HA2 0.516 4.479 3.960 0.004 0.000 0.294 279 G HA3 0.516 4.479 3.960 0.004 0.000 0.294 279 G C -1.939 172.938 174.900 -0.038 0.000 1.397 279 G CA -0.770 44.299 45.100 -0.051 0.000 0.790 279 G HN 0.020 nan 8.290 nan 0.000 0.486 280 L N 0.067 121.267 121.223 -0.039 0.000 2.370 280 L HA 0.636 4.978 4.340 0.004 0.000 0.266 280 L C -0.485 176.377 176.870 -0.014 0.000 1.002 280 L CA -0.919 53.911 54.840 -0.016 0.000 0.818 280 L CB 2.429 44.486 42.059 -0.004 0.000 1.325 280 L HN 0.352 nan 8.230 nan 0.000 0.418 281 I N 2.891 123.469 120.570 0.013 0.000 2.378 281 I HA 0.446 4.619 4.170 0.004 0.000 0.291 281 I C -0.884 175.259 176.117 0.043 0.000 0.992 281 I CA -0.757 60.563 61.300 0.033 0.000 1.154 281 I CB 1.968 40.008 38.000 0.068 0.000 1.315 281 I HN 0.186 nan 8.210 nan 0.000 0.448 282 V N 5.013 124.953 119.914 0.043 0.000 2.445 282 V HA 0.437 4.559 4.120 0.004 0.000 0.283 282 V C -0.080 176.042 176.094 0.046 0.000 1.014 282 V CA -0.385 61.940 62.300 0.043 0.000 0.852 282 V CB 1.558 33.404 31.823 0.038 0.000 1.021 282 V HN 0.930 nan 8.190 nan 0.000 0.435 283 T N 0.281 114.865 114.554 0.051 0.000 2.812 283 T HA 0.525 4.877 4.350 0.004 0.000 0.294 283 T C -0.290 174.448 174.700 0.064 0.000 1.159 283 T CA -0.729 61.403 62.100 0.053 0.000 1.008 283 T CB 2.281 71.176 68.868 0.044 0.000 1.289 283 T HN 0.326 nan 8.240 nan 0.000 0.514 284 N N 0.475 119.214 118.700 0.066 0.000 2.332 284 N HA 0.286 5.028 4.740 0.004 0.000 0.282 284 N C 0.365 175.910 175.510 0.058 0.000 1.288 284 N CA 0.302 53.396 53.050 0.074 0.000 0.949 284 N CB 0.835 39.369 38.487 0.078 0.000 1.108 284 N HN 0.971 nan 8.380 nan 0.000 0.542 285 T N -2.430 112.157 114.554 0.056 0.000 2.813 285 T HA 0.168 4.520 4.350 0.004 0.000 0.297 285 T C 0.458 175.175 174.700 0.029 0.000 1.036 285 T CA -0.468 61.656 62.100 0.039 0.000 1.044 285 T CB 0.745 69.635 68.868 0.036 0.000 0.993 285 T HN 0.370 nan 8.240 nan 0.000 0.535 286 T N 0.211 114.777 114.554 0.021 0.000 2.867 286 T HA 0.390 4.742 4.350 0.004 0.000 0.282 286 T C 1.210 175.915 174.700 0.008 0.000 1.000 286 T CA -0.414 61.695 62.100 0.015 0.000 1.042 286 T CB 0.800 69.675 68.868 0.012 0.000 0.973 286 T HN 0.799 nan 8.240 nan 0.000 0.465 287 V N 2.504 122.421 119.914 0.005 0.000 3.541 287 V HA 0.250 4.373 4.120 0.004 0.000 0.267 287 V C 1.153 177.244 176.094 -0.005 0.000 1.213 287 V CA 0.446 62.744 62.300 -0.002 0.000 1.149 287 V CB -1.203 30.618 31.823 -0.003 0.000 0.822 287 V HN 0.824 nan 8.190 nan 0.000 0.462 288 S N 1.509 117.207 115.700 -0.002 0.000 2.614 288 S HA 0.498 4.970 4.470 0.004 0.000 0.265 288 S C 0.135 174.730 174.600 -0.008 0.000 1.303 288 S CA -0.640 57.557 58.200 -0.005 0.000 1.000 288 S CB 0.959 64.158 63.200 -0.001 0.000 0.935 288 S HN 0.504 nan 8.310 nan 0.000 0.551 289 R N 1.915 122.408 120.500 -0.012 0.000 2.415 289 R HA 0.402 4.744 4.340 0.004 0.000 0.292 289 R C -2.925 173.367 176.300 -0.013 0.000 1.295 289 R CA -1.771 54.320 56.100 -0.015 0.000 1.137 289 R CB 0.424 30.711 30.300 -0.022 0.000 1.135 289 R HN 0.576 nan 8.270 nan 0.000 0.560 290 P HA 0.007 nan 4.420 nan 0.000 0.265 290 P C -0.212 177.081 177.300 -0.012 0.000 1.187 290 P CA -0.015 63.079 63.100 -0.010 0.000 0.766 290 P CB 0.584 32.279 31.700 -0.008 0.000 0.820 291 A N 2.593 125.407 122.820 -0.011 0.000 2.561 291 A HA 0.397 4.719 4.320 0.004 0.000 0.234 291 A C 1.521 179.097 177.584 -0.014 0.000 1.055 291 A CA 0.837 52.867 52.037 -0.013 0.000 0.756 291 A CB -1.044 17.950 19.000 -0.011 0.000 0.986 291 A HN 0.937 nan 8.150 nan 0.000 0.505 292 G N 0.858 109.648 108.800 -0.015 0.000 2.218 292 G HA2 -0.170 3.793 3.960 0.004 0.000 0.216 292 G HA3 -0.170 3.793 3.960 0.004 0.000 0.216 292 G C 0.178 175.066 174.900 -0.019 0.000 0.994 292 G CA -0.031 45.059 45.100 -0.016 0.000 0.637 292 G HN 0.842 nan 8.290 nan 0.000 0.505 293 L N 0.927 122.138 121.223 -0.021 0.000 2.540 293 L HA 0.179 4.521 4.340 0.004 0.000 0.276 293 L C 1.617 178.473 176.870 -0.024 0.000 1.212 293 L CA 0.167 54.993 54.840 -0.023 0.000 0.893 293 L CB 0.717 42.762 42.059 -0.023 0.000 1.138 293 L HN 0.139 nan 8.230 nan 0.000 0.491 294 Q N 2.280 122.065 119.800 -0.025 0.000 2.378 294 Q HA 0.151 4.493 4.340 0.004 0.000 0.229 294 Q C 0.896 176.883 176.000 -0.022 0.000 0.882 294 Q CA 0.208 55.997 55.803 -0.023 0.000 0.936 294 Q CB 0.583 29.307 28.738 -0.024 0.000 1.092 294 Q HN 0.817 nan 8.270 nan 0.000 0.535 295 G N 0.636 109.424 108.800 -0.021 0.000 2.414 295 G HA2 0.190 4.152 3.960 0.004 0.000 0.236 295 G HA3 0.190 4.152 3.960 0.004 0.000 0.236 295 G C 0.968 175.855 174.900 -0.021 0.000 1.293 295 G CA 0.476 45.568 45.100 -0.014 0.000 0.869 295 G HN 0.236 nan 8.290 nan 0.000 0.556 296 A N 2.098 124.908 122.820 -0.017 0.000 2.019 296 A HA -0.004 4.318 4.320 0.004 0.000 0.219 296 A C 1.997 179.551 177.584 -0.049 0.000 1.164 296 A CA 0.858 52.879 52.037 -0.026 0.000 0.644 296 A CB -0.145 18.846 19.000 -0.016 0.000 0.805 296 A HN 0.601 nan 8.150 nan 0.000 0.449 297 L N -0.093 121.100 121.223 -0.051 0.000 2.685 297 L HA 0.087 4.429 4.340 0.004 0.000 0.233 297 L C 2.133 178.925 176.870 -0.130 0.000 1.173 297 L CA 0.125 54.896 54.840 -0.114 0.000 0.961 297 L CB -0.262 41.745 42.059 -0.086 0.000 1.217 297 L HN 0.533 nan 8.230 nan 0.000 0.478 298 R N -1.063 119.388 120.500 -0.082 0.000 2.193 298 R HA -0.053 4.289 4.340 0.004 0.000 0.229 298 R C 1.308 177.555 176.300 -0.088 0.000 1.110 298 R CA 1.236 57.295 56.100 -0.068 0.000 0.988 298 R CB -0.399 29.873 30.300 -0.046 0.000 0.871 298 R HN 0.095 nan 8.270 nan 0.000 0.458 299 S N 0.554 116.187 115.700 -0.112 0.000 2.577 299 S HA 0.100 4.572 4.470 0.004 0.000 0.219 299 S C -0.328 174.178 174.600 -0.157 0.000 0.962 299 S CA -0.326 57.808 58.200 -0.110 0.000 0.921 299 S CB 0.161 63.308 63.200 -0.089 0.000 0.789 299 S HN 0.267 nan 8.310 nan 0.000 0.497 300 E N 2.588 122.640 120.200 -0.246 0.000 2.413 300 E HA 0.055 4.407 4.350 0.004 0.000 0.263 300 E C 0.094 176.579 176.600 -0.191 0.000 1.015 300 E CA 0.382 56.572 56.400 -0.350 0.000 0.916 300 E CB 0.395 29.642 29.700 -0.755 0.000 0.947 300 E HN 0.073 nan 8.360 nan 0.000 0.440 301 T N 1.582 116.052 114.554 -0.140 0.000 2.916 301 T HA 0.465 4.817 4.350 0.004 0.000 0.303 301 T C 0.412 175.099 174.700 -0.021 0.000 1.025 301 T CA 0.576 62.638 62.100 -0.063 0.000 1.142 301 T CB 0.701 69.545 68.868 -0.040 0.000 0.947 301 T HN 0.656 nan 8.240 nan 0.000 0.544 302 G N 1.195 109.989 108.800 -0.010 0.000 2.362 302 G HA2 0.424 4.386 3.960 0.004 0.000 0.288 302 G HA3 0.424 4.386 3.960 0.004 0.000 0.288 302 G C -0.480 174.425 174.900 0.007 0.000 1.305 302 G CA -0.524 44.583 45.100 0.012 0.000 0.910 302 G HN 0.864 nan 8.290 nan 0.000 0.518 303 G N -0.899 107.910 108.800 0.015 0.000 2.338 303 G HA2 0.670 4.632 3.960 0.004 0.000 0.298 303 G HA3 0.670 4.632 3.960 0.004 0.000 0.298 303 G C -0.514 174.397 174.900 0.017 0.000 1.140 303 G CA -0.246 44.863 45.100 0.015 0.000 0.860 303 G HN 1.248 nan 8.290 nan 0.000 0.470 304 L N 2.979 124.209 121.223 0.012 0.000 2.292 304 L HA 0.691 5.033 4.340 0.004 0.000 0.284 304 L C 0.523 177.399 176.870 0.011 0.000 1.065 304 L CA -0.214 54.633 54.840 0.011 0.000 0.806 304 L CB 1.408 43.470 42.059 0.005 0.000 1.175 304 L HN 0.611 nan 8.230 nan 0.000 0.431 305 S N 2.955 118.659 115.700 0.006 0.000 2.709 305 S HA 1.038 5.510 4.470 0.004 0.000 0.302 305 S C 0.057 174.668 174.600 0.017 0.000 1.127 305 S CA -0.180 58.022 58.200 0.004 0.000 0.905 305 S CB 1.342 64.523 63.200 -0.032 0.000 1.151 305 S HN 1.757 nan 8.310 nan 0.000 0.510 306 G N 1.226 110.043 108.800 0.027 0.000 2.545 306 G HA2 -0.160 3.803 3.960 0.004 0.000 0.216 306 G HA3 -0.160 3.803 3.960 0.004 0.000 0.216 306 G C 0.351 175.268 174.900 0.028 0.000 1.314 306 G CA 0.090 45.217 45.100 0.046 0.000 0.906 306 G HN 0.723 nan 8.290 nan 0.000 0.563 307 K N 0.863 121.269 120.400 0.010 0.000 2.074 307 K HA -0.107 4.215 4.320 0.004 0.000 0.209 307 K C -0.063 176.538 176.600 0.001 0.000 1.048 307 K CA 2.349 58.639 56.287 0.006 0.000 0.926 307 K CB -1.066 31.423 32.500 -0.018 0.000 0.713 307 K HN 0.281 nan 8.250 nan 0.000 0.444 308 P HA -0.112 nan 4.420 nan 0.000 0.225 308 P C 1.089 178.391 177.300 0.003 0.000 1.148 308 P CA 0.687 63.784 63.100 -0.005 0.000 0.779 308 P CB 0.091 31.785 31.700 -0.010 0.000 0.780 309 L N -0.978 120.251 121.223 0.010 0.000 2.477 309 L HA 0.189 4.531 4.340 0.004 0.000 0.220 309 L C 2.320 179.201 176.870 0.018 0.000 1.106 309 L CA 1.029 55.879 54.840 0.016 0.000 0.851 309 L CB -0.680 41.392 42.059 0.021 0.000 0.994 309 L HN -0.270 nan 8.230 nan 0.000 0.462 310 R N -0.188 120.323 120.500 0.019 0.000 2.097 310 R HA -0.201 4.141 4.340 0.004 0.000 0.236 310 R C 1.477 177.786 176.300 0.016 0.000 1.135 310 R CA 2.355 58.468 56.100 0.021 0.000 0.934 310 R CB -0.250 30.063 30.300 0.021 0.000 0.846 310 R HN 0.355 nan 8.270 nan 0.000 0.431 311 D N 0.190 120.596 120.400 0.010 0.000 2.234 311 D HA -0.094 4.548 4.640 0.004 0.000 0.205 311 D C 1.719 178.025 176.300 0.009 0.000 0.962 311 D CA 0.394 54.398 54.000 0.007 0.000 0.855 311 D CB -0.106 40.696 40.800 0.002 0.000 0.951 311 D HN 0.148 nan 8.370 nan 0.000 0.500 312 L N 0.530 121.760 121.223 0.011 0.000 2.042 312 L HA -0.159 4.184 4.340 0.004 0.000 0.210 312 L C 2.204 179.085 176.870 0.019 0.000 1.076 312 L CA 1.600 56.448 54.840 0.013 0.000 0.749 312 L CB -0.841 41.226 42.059 0.013 0.000 0.893 312 L HN -0.045 nan 8.230 nan 0.000 0.432 313 S N -1.832 113.881 115.700 0.021 0.000 2.355 313 S HA -0.201 4.271 4.470 0.004 0.000 0.222 313 S C 1.945 176.560 174.600 0.025 0.000 1.031 313 S CA 1.866 60.082 58.200 0.027 0.000 0.993 313 S CB -0.536 62.683 63.200 0.031 0.000 0.859 313 S HN 0.638 nan 8.310 nan 0.000 0.453 314 T N 2.309 116.874 114.554 0.018 0.000 2.720 314 T HA -0.083 4.269 4.350 0.004 0.000 0.268 314 T C 1.971 176.681 174.700 0.018 0.000 1.037 314 T CA 1.378 63.486 62.100 0.013 0.000 1.144 314 T CB -0.340 68.530 68.868 0.003 0.000 0.864 314 T HN 0.420 nan 8.240 nan 0.000 0.444 315 Q N 0.506 120.316 119.800 0.017 0.000 2.224 315 Q HA -0.029 4.314 4.340 0.004 0.000 0.203 315 Q C 2.521 178.544 176.000 0.038 0.000 0.970 315 Q CA 1.170 56.986 55.803 0.022 0.000 0.865 315 Q CB -0.659 28.088 28.738 0.015 0.000 0.922 315 Q HN 0.511 nan 8.270 nan 0.000 0.445 316 T N 1.431 116.007 114.554 0.036 0.000 2.857 316 T HA -0.013 4.340 4.350 0.004 0.000 0.266 316 T C 2.043 176.778 174.700 0.058 0.000 1.048 316 T CA 0.601 62.727 62.100 0.043 0.000 1.139 316 T CB -0.102 68.787 68.868 0.036 0.000 0.874 316 T HN 0.176 nan 8.240 nan 0.000 0.455 317 I N 0.754 121.357 120.570 0.055 0.000 2.163 317 I HA -0.197 3.975 4.170 0.004 0.000 0.243 317 I C 2.848 179.037 176.117 0.119 0.000 1.085 317 I CA 1.315 62.657 61.300 0.069 0.000 1.347 317 I CB -0.332 37.691 38.000 0.039 0.000 1.044 317 I HN 0.115 nan 8.210 nan 0.000 0.408 318 R N 0.791 121.363 120.500 0.119 0.000 2.083 318 R HA -0.253 4.089 4.340 0.004 0.000 0.237 318 R C 2.290 178.745 176.300 0.259 0.000 1.137 318 R CA 2.105 58.331 56.100 0.209 0.000 0.951 318 R CB -0.187 30.164 30.300 0.085 0.000 0.851 318 R HN 0.372 nan 8.270 nan 0.000 0.434 319 E N -0.411 119.879 120.200 0.149 0.000 2.051 319 E HA -0.194 4.158 4.350 0.004 0.000 0.192 319 E C 1.880 178.546 176.600 0.110 0.000 0.991 319 E CA 1.322 57.795 56.400 0.122 0.000 0.799 319 E CB 0.106 29.849 29.700 0.073 0.000 0.748 319 E HN 0.208 nan 8.360 nan 0.000 0.449 320 M N -0.315 119.344 119.600 0.098 0.000 2.229 320 M HA -0.119 4.363 4.480 0.004 0.000 0.264 320 M C 2.088 178.424 176.300 0.059 0.000 1.063 320 M CA 1.219 56.556 55.300 0.063 0.000 1.114 320 M CB -1.070 31.562 32.600 0.052 0.000 1.387 320 M HN 0.252 nan 8.290 nan 0.000 0.420 321 Y N 1.229 121.504 120.300 -0.042 0.000 2.181 321 Y HA -0.170 4.383 4.550 0.005 0.000 0.288 321 Y C 2.393 178.188 175.900 -0.174 0.000 1.146 321 Y CA 2.061 60.078 58.100 -0.137 0.000 1.164 321 Y CB -0.229 38.097 38.460 -0.223 0.000 0.982 321 Y HN 0.202 nan 8.280 nan 0.000 0.515 322 A N 0.090 122.936 122.820 0.043 0.000 1.873 322 A HA -0.139 4.183 4.320 0.004 0.000 0.215 322 A C 2.226 179.782 177.584 -0.047 0.000 1.186 322 A CA 1.715 53.761 52.037 0.014 0.000 0.616 322 A CB -1.131 17.979 19.000 0.182 0.000 0.823 322 A HN 0.530 nan 8.150 nan 0.000 0.442 323 L N 0.053 121.266 121.223 -0.018 0.000 2.191 323 L HA -0.118 4.225 4.340 0.004 0.000 0.212 323 L C 2.316 179.144 176.870 -0.070 0.000 1.103 323 L CA 1.619 56.441 54.840 -0.029 0.000 0.769 323 L CB -0.470 41.585 42.059 -0.007 0.000 0.908 323 L HN 0.641 nan 8.230 nan 0.000 0.438 324 T N -5.188 109.294 114.554 -0.120 0.000 3.145 324 T HA 0.154 4.506 4.350 0.004 0.000 0.255 324 T C 0.666 175.230 174.700 -0.227 0.000 1.039 324 T CA -0.314 61.696 62.100 -0.150 0.000 0.928 324 T CB 0.409 69.192 68.868 -0.142 0.000 1.029 324 T HN 0.157 nan 8.240 nan 0.000 0.554 325 Q N 0.341 119.985 119.800 -0.259 0.000 2.480 325 Q HA -0.144 4.199 4.340 0.004 0.000 0.265 325 Q C 1.257 176.984 176.000 -0.456 0.000 1.072 325 Q CA 1.142 56.776 55.803 -0.280 0.000 1.018 325 Q CB -2.290 26.350 28.738 -0.163 0.000 1.433 325 Q HN 1.132 nan 8.270 nan 0.000 0.513 326 G N -0.956 107.331 108.800 -0.855 0.000 2.166 326 G HA2 -0.415 3.547 3.960 0.004 0.000 0.260 326 G HA3 -0.415 3.547 3.960 0.004 0.000 0.260 326 G C 0.682 175.294 174.900 -0.481 0.000 0.986 326 G CA 0.658 45.032 45.100 -1.210 0.000 0.683 326 G HN 0.462 nan 8.290 nan 0.000 0.527 327 R N -1.072 119.235 120.500 -0.322 0.000 2.312 327 R HA 0.307 4.649 4.340 0.004 0.000 0.205 327 R C 0.296 176.520 176.300 -0.127 0.000 0.904 327 R CA 0.425 56.422 56.100 -0.172 0.000 1.052 327 R CB 0.881 31.102 30.300 -0.132 0.000 1.014 327 R HN 0.320 nan 8.270 nan 0.000 0.503 328 V N 3.177 123.005 119.914 -0.143 0.000 2.378 328 V HA 0.265 4.388 4.120 0.004 0.000 0.288 328 V C -2.327 173.731 176.094 -0.060 0.000 1.016 328 V CA -2.378 59.870 62.300 -0.087 0.000 0.840 328 V CB 1.710 33.486 31.823 -0.079 0.000 0.994 328 V HN -0.049 nan 8.190 nan 0.000 0.431 329 P HA 0.235 nan 4.420 nan 0.000 0.265 329 P C -0.629 176.638 177.300 -0.055 0.000 1.193 329 P CA 0.357 63.424 63.100 -0.055 0.000 0.765 329 P CB 0.463 32.109 31.700 -0.089 0.000 0.823 330 I N 3.844 124.394 120.570 -0.035 0.000 2.433 330 I HA 0.355 4.528 4.170 0.004 0.000 0.292 330 I C 0.128 176.205 176.117 -0.068 0.000 1.001 330 I CA -0.753 60.530 61.300 -0.028 0.000 1.119 330 I CB 1.531 39.552 38.000 0.035 0.000 1.289 330 I HN 0.120 nan 8.210 nan 0.000 0.438 331 I N 5.259 125.789 120.570 -0.067 0.000 2.304 331 I HA 0.338 4.510 4.170 0.004 0.000 0.291 331 I C 0.708 176.837 176.117 0.019 0.000 1.018 331 I CA -0.272 61.006 61.300 -0.037 0.000 1.260 331 I CB 1.259 39.244 38.000 -0.024 0.000 1.390 331 I HN 0.616 nan 8.210 nan 0.000 0.475 332 G N 5.952 114.768 108.800 0.027 0.000 2.338 332 G HA2 0.595 4.557 3.960 0.004 0.000 0.298 332 G HA3 0.595 4.557 3.960 0.004 0.000 0.298 332 G C -0.728 174.204 174.900 0.054 0.000 1.140 332 G CA -0.222 44.898 45.100 0.033 0.000 0.860 332 G HN 0.387 nan 8.290 nan 0.000 0.470 333 V N 0.624 120.571 119.914 0.055 0.000 2.932 333 V HA 0.939 5.061 4.120 0.004 0.000 0.307 333 V C 0.244 176.372 176.094 0.057 0.000 1.147 333 V CA -0.065 62.273 62.300 0.064 0.000 0.951 333 V CB 1.596 33.464 31.823 0.076 0.000 1.031 333 V HN 1.735 nan 8.190 nan 0.000 0.426 334 G N 1.711 110.547 108.800 0.059 0.000 2.897 334 G HA2 0.533 4.496 3.960 0.004 0.000 0.392 334 G HA3 0.533 4.496 3.960 0.004 0.000 0.392 334 G C 0.484 175.413 174.900 0.049 0.000 1.263 334 G CA -0.047 45.084 45.100 0.052 0.000 1.185 334 G HN 2.183 nan 8.290 nan 0.000 0.573 335 G N -0.575 108.259 108.800 0.056 0.000 2.160 335 G HA2 0.003 3.966 3.960 0.004 0.000 0.251 335 G HA3 0.003 3.966 3.960 0.004 0.000 0.251 335 G C 0.554 175.496 174.900 0.069 0.000 1.008 335 G CA 0.599 45.735 45.100 0.059 0.000 0.724 335 G HN 1.803 nan 8.290 nan 0.000 0.514 336 V N 1.375 121.334 119.914 0.076 0.000 2.427 336 V HA 0.519 4.641 4.120 0.004 0.000 0.268 336 V C 1.192 177.351 176.094 0.109 0.000 1.046 336 V CA 0.942 63.288 62.300 0.075 0.000 0.970 336 V CB 1.341 33.204 31.823 0.067 0.000 1.001 336 V HN 0.975 nan 8.190 nan 0.000 0.476 337 S N 1.634 117.398 115.700 0.107 0.000 2.893 337 S HA 0.310 4.782 4.470 0.004 0.000 0.258 337 S C 0.225 174.851 174.600 0.044 0.000 1.034 337 S CA 0.178 58.469 58.200 0.153 0.000 1.167 337 S CB 0.432 63.813 63.200 0.301 0.000 1.137 337 S HN 0.898 nan 8.310 nan 0.000 0.650 338 S N -0.851 114.854 115.700 0.007 0.000 2.625 338 S HA 0.731 5.203 4.470 0.004 0.000 0.271 338 S C 1.043 175.623 174.600 -0.035 0.000 1.161 338 S CA -0.226 57.949 58.200 -0.041 0.000 0.820 338 S CB 0.672 63.839 63.200 -0.055 0.000 1.137 338 S HN 0.319 nan 8.310 nan 0.000 0.470 339 G N 0.257 109.026 108.800 -0.051 0.000 2.422 339 G HA2 -0.198 3.765 3.960 0.004 0.000 0.218 339 G HA3 -0.198 3.765 3.960 0.004 0.000 0.218 339 G C 1.132 176.019 174.900 -0.022 0.000 1.146 339 G CA 1.159 46.235 45.100 -0.040 0.000 0.769 339 G HN 0.841 nan 8.290 nan 0.000 0.547 340 Q N 0.173 119.960 119.800 -0.021 0.000 2.084 340 Q HA -0.138 4.205 4.340 0.004 0.000 0.202 340 Q C 1.932 177.927 176.000 -0.009 0.000 0.978 340 Q CA 1.655 57.451 55.803 -0.012 0.000 0.844 340 Q CB -0.117 28.613 28.738 -0.013 0.000 0.898 340 Q HN 0.351 nan 8.270 nan 0.000 0.426 341 D N 0.381 120.777 120.400 -0.007 0.000 2.123 341 D HA -0.159 4.483 4.640 0.004 0.000 0.196 341 D C 1.736 178.036 176.300 0.000 0.000 0.992 341 D CA 1.452 55.453 54.000 0.002 0.000 0.833 341 D CB -0.325 40.486 40.800 0.017 0.000 0.954 341 D HN 0.421 nan 8.370 nan 0.000 0.455 342 A N 0.773 123.592 122.820 -0.002 0.000 1.877 342 A HA -0.131 4.191 4.320 0.004 0.000 0.216 342 A C 2.161 179.730 177.584 -0.025 0.000 1.186 342 A CA 1.028 53.062 52.037 -0.005 0.000 0.620 342 A CB -0.777 18.221 19.000 -0.003 0.000 0.822 342 A HN 0.236 nan 8.150 nan 0.000 0.443 343 L N 0.163 121.368 121.223 -0.030 0.000 2.131 343 L HA -0.118 4.224 4.340 0.004 0.000 0.210 343 L C 2.111 178.948 176.870 -0.055 0.000 1.092 343 L CA 2.134 56.943 54.840 -0.052 0.000 0.759 343 L CB -0.603 41.439 42.059 -0.028 0.000 0.903 343 L HN 0.515 nan 8.230 nan 0.000 0.435 344 E N -0.648 119.532 120.200 -0.032 0.000 2.110 344 E HA -0.235 4.117 4.350 0.004 0.000 0.193 344 E C 2.091 178.665 176.600 -0.043 0.000 0.988 344 E CA 1.230 57.611 56.400 -0.031 0.000 0.804 344 E CB -0.026 29.664 29.700 -0.017 0.000 0.745 344 E HN 0.516 nan 8.360 nan 0.000 0.458 345 K N 0.374 120.751 120.400 -0.037 0.000 2.103 345 K HA -0.058 4.264 4.320 0.004 0.000 0.204 345 K C 2.143 178.698 176.600 -0.075 0.000 1.052 345 K CA 0.727 56.990 56.287 -0.039 0.000 0.945 345 K CB -0.008 32.483 32.500 -0.015 0.000 0.722 345 K HN 0.087 nan 8.250 nan 0.000 0.443 346 I N 0.941 121.457 120.570 -0.091 0.000 2.179 346 I HA -0.294 3.878 4.170 0.004 0.000 0.242 346 I C 2.300 178.306 176.117 -0.185 0.000 1.088 346 I CA 1.362 62.579 61.300 -0.139 0.000 1.357 346 I CB -0.181 37.729 38.000 -0.151 0.000 1.051 346 I HN 0.108 nan 8.210 nan 0.000 0.409 347 R N 0.604 121.004 120.500 -0.165 0.000 2.152 347 R HA -0.082 4.260 4.340 0.004 0.000 0.232 347 R C 2.243 178.466 176.300 -0.130 0.000 1.117 347 R CA 1.250 57.260 56.100 -0.151 0.000 0.981 347 R CB -0.365 29.883 30.300 -0.087 0.000 0.870 347 R HN 0.364 nan 8.270 nan 0.000 0.451 348 A N -0.189 122.562 122.820 -0.116 0.000 2.119 348 A HA 0.127 4.449 4.320 0.004 0.000 0.216 348 A C 1.475 178.968 177.584 -0.150 0.000 1.152 348 A CA 1.272 53.268 52.037 -0.069 0.000 0.708 348 A CB 0.136 19.115 19.000 -0.035 0.000 0.805 348 A HN 0.472 nan 8.150 nan 0.000 0.460 349 G N -2.936 105.642 108.800 -0.369 0.000 2.370 349 G HA2 0.283 4.245 3.960 0.004 0.000 0.174 349 G HA3 0.283 4.245 3.960 0.004 0.000 0.174 349 G C 0.234 174.980 174.900 -0.257 0.000 1.002 349 G CA -0.008 44.628 45.100 -0.773 0.000 0.730 349 G HN 1.259 nan 8.290 nan 0.000 0.497 350 A N 0.619 123.350 122.820 -0.149 0.000 2.366 350 A HA 0.755 5.077 4.320 0.004 0.000 0.272 350 A C 1.352 178.876 177.584 -0.100 0.000 1.135 350 A CA 0.967 52.956 52.037 -0.080 0.000 0.804 350 A CB 0.818 19.786 19.000 -0.054 0.000 1.064 350 A HN 0.664 nan 8.150 nan 0.000 0.499 351 S N 1.147 116.787 115.700 -0.101 0.000 2.458 351 S HA 0.232 4.705 4.470 0.004 0.000 0.223 351 S C 0.425 174.913 174.600 -0.187 0.000 1.019 351 S CA 0.596 58.713 58.200 -0.139 0.000 0.937 351 S CB -0.322 62.784 63.200 -0.158 0.000 0.788 351 S HN 0.595 nan 8.310 nan 0.000 0.511 352 L N 0.643 121.759 121.223 -0.179 0.000 2.415 352 L HA 0.689 5.032 4.340 0.004 0.000 0.256 352 L C -0.926 175.962 176.870 0.029 0.000 1.010 352 L CA -1.089 53.673 54.840 -0.130 0.000 0.826 352 L CB 2.144 43.970 42.059 -0.389 0.000 1.405 352 L HN -0.048 nan 8.230 nan 0.000 0.410 353 V N -1.273 118.732 119.914 0.152 0.000 3.074 353 V HA 0.710 4.832 4.120 0.004 0.000 0.314 353 V C -1.040 175.165 176.094 0.185 0.000 1.117 353 V CA -0.545 61.839 62.300 0.140 0.000 1.014 353 V CB 1.996 33.866 31.823 0.078 0.000 1.057 353 V HN 0.876 nan 8.190 nan 0.000 0.438 354 Q N 1.559 121.421 119.800 0.103 0.000 2.484 354 Q HA 0.871 5.214 4.340 0.004 0.000 0.285 354 Q C -1.469 174.558 176.000 0.045 0.000 1.097 354 Q CA -0.889 54.920 55.803 0.011 0.000 0.802 354 Q CB 2.753 31.476 28.738 -0.025 0.000 1.444 354 Q HN 0.901 nan 8.270 nan 0.000 0.429 355 L N -2.621 118.624 121.223 0.037 0.000 2.415 355 L HA 0.561 4.904 4.340 0.004 0.000 0.256 355 L C -0.966 175.969 176.870 0.108 0.000 1.010 355 L CA -0.500 54.399 54.840 0.098 0.000 0.826 355 L CB 1.332 43.475 42.059 0.141 0.000 1.405 355 L HN 0.865 nan 8.230 nan 0.000 0.410 356 Y N -0.324 119.960 120.300 -0.027 0.000 3.260 356 Y HA 0.008 4.560 4.550 0.003 0.000 0.202 356 Y C 1.598 177.466 175.900 -0.053 0.000 0.962 356 Y CA 0.490 58.546 58.100 -0.073 0.000 1.582 356 Y CB 0.908 39.333 38.460 -0.058 0.000 1.478 356 Y HN 0.684 nan 8.280 nan 0.000 0.384 357 T N 1.855 116.409 114.554 -0.001 0.000 2.759 357 T HA -0.208 4.144 4.350 0.004 0.000 0.269 357 T C 1.795 176.496 174.700 0.002 0.000 1.042 357 T CA 1.465 63.483 62.100 -0.137 0.000 1.140 357 T CB -0.570 68.260 68.868 -0.063 0.000 0.864 357 T HN 0.499 nan 8.240 nan 0.000 0.455 358 A N 1.100 123.987 122.820 0.110 0.000 1.978 358 A HA -0.055 4.268 4.320 0.004 0.000 0.220 358 A C 2.179 179.810 177.584 0.079 0.000 1.170 358 A CA 1.143 53.279 52.037 0.165 0.000 0.636 358 A CB -0.755 18.420 19.000 0.293 0.000 0.810 358 A HN 0.394 nan 8.150 nan 0.000 0.448 359 L N 0.463 121.728 121.223 0.071 0.000 2.083 359 L HA -0.133 4.209 4.340 0.004 0.000 0.209 359 L C 2.827 179.651 176.870 -0.076 0.000 1.083 359 L CA 2.655 57.513 54.840 0.031 0.000 0.752 359 L CB -0.864 41.205 42.059 0.017 0.000 0.899 359 L HN 0.630 nan 8.230 nan 0.000 0.433 360 T N -4.628 109.796 114.554 -0.218 0.000 2.995 360 T HA -0.105 4.248 4.350 0.004 0.000 0.269 360 T C 1.629 175.940 174.700 -0.648 0.000 1.091 360 T CA 1.092 62.936 62.100 -0.428 0.000 1.128 360 T CB -0.556 67.937 68.868 -0.625 0.000 0.891 360 T HN 0.270 nan 8.240 nan 0.000 0.492 361 F N -1.051 118.629 119.950 -0.451 0.000 2.500 361 F HA 0.396 4.925 4.527 0.003 0.000 0.285 361 F C 1.693 177.097 175.800 -0.660 0.000 1.088 361 F CA -0.451 57.071 58.000 -0.797 0.000 1.432 361 F CB 0.167 38.310 39.000 -1.428 0.000 1.131 361 F HN 0.154 nan 8.300 nan 0.000 0.582 362 W N 0.124 121.525 121.300 0.169 0.000 2.993 362 W HA 0.478 5.143 4.660 0.008 0.000 0.290 362 W C 1.168 177.739 176.519 0.087 0.000 1.203 362 W CA 0.242 57.653 57.345 0.109 0.000 1.582 362 W CB 0.037 29.538 29.460 0.069 0.000 1.033 362 W HN 0.095 nan 8.180 nan 0.000 0.594 363 G N 1.247 110.174 108.800 0.210 0.000 2.782 363 G HA2 -0.280 3.682 3.960 0.004 0.000 0.228 363 G HA3 -0.280 3.682 3.960 0.004 0.000 0.228 363 G C -1.755 173.143 174.900 -0.002 0.000 1.372 363 G CA -0.450 44.739 45.100 0.149 0.000 0.862 363 G HN -0.093 nan 8.290 nan 0.000 0.547 364 P HA -0.033 nan 4.420 nan 0.000 0.217 364 P C -1.149 176.000 177.300 -0.251 0.000 1.148 364 P CA 2.333 65.321 63.100 -0.187 0.000 0.834 364 P CB -0.496 31.102 31.700 -0.171 0.000 0.783 365 P HA -0.109 nan 4.420 nan 0.000 0.221 365 P C 1.659 178.868 177.300 -0.151 0.000 1.145 365 P CA 0.772 63.725 63.100 -0.246 0.000 0.795 365 P CB -0.399 31.152 31.700 -0.249 0.000 0.775 366 V N -0.599 119.264 119.914 -0.085 0.000 2.626 366 V HA -0.175 3.947 4.120 0.004 0.000 0.252 366 V C 2.044 178.060 176.094 -0.129 0.000 1.067 366 V CA 1.537 63.813 62.300 -0.040 0.000 1.081 366 V CB -0.704 31.195 31.823 0.127 0.000 0.686 366 V HN -0.068 nan 8.190 nan 0.000 0.468 367 V N 0.745 120.524 119.914 -0.226 0.000 2.261 367 V HA -0.126 3.996 4.120 0.004 0.000 0.246 367 V C 2.720 178.609 176.094 -0.341 0.000 1.047 367 V CA 2.193 64.277 62.300 -0.360 0.000 1.015 367 V CB -1.503 29.924 31.823 -0.660 0.000 0.642 367 V HN 0.602 nan 8.190 nan 0.000 0.446 368 G N -0.678 107.935 108.800 -0.313 0.000 2.422 368 G HA2 -0.258 3.704 3.960 0.004 0.000 0.218 368 G HA3 -0.258 3.704 3.960 0.004 0.000 0.218 368 G C 1.640 176.290 174.900 -0.416 0.000 1.140 368 G CA 0.908 45.774 45.100 -0.391 0.000 0.775 368 G HN 0.475 nan 8.290 nan 0.000 0.545 369 K N 0.236 120.483 120.400 -0.255 0.000 2.026 369 K HA -0.060 4.262 4.320 0.004 0.000 0.208 369 K C 2.541 179.013 176.600 -0.212 0.000 1.048 369 K CA 1.375 57.541 56.287 -0.200 0.000 0.929 369 K CB -0.302 32.107 32.500 -0.151 0.000 0.713 369 K HN 0.178 nan 8.250 nan 0.000 0.439 370 V N 1.918 121.713 119.914 -0.198 0.000 2.332 370 V HA -0.256 3.866 4.120 0.004 0.000 0.248 370 V C 2.240 178.214 176.094 -0.200 0.000 1.055 370 V CA 1.889 64.097 62.300 -0.154 0.000 1.038 370 V CB -0.380 31.382 31.823 -0.101 0.000 0.651 370 V HN 0.366 nan 8.190 nan 0.000 0.450 371 K N -0.331 119.861 120.400 -0.347 0.000 2.057 371 K HA -0.170 4.152 4.320 0.004 0.000 0.206 371 K C 2.402 178.744 176.600 -0.430 0.000 1.050 371 K CA 1.385 57.414 56.287 -0.430 0.000 0.935 371 K CB -0.239 31.826 32.500 -0.725 0.000 0.715 371 K HN 0.315 nan 8.250 nan 0.000 0.439 372 R N 1.745 121.903 120.500 -0.570 0.000 2.073 372 R HA -0.155 4.187 4.340 0.004 0.000 0.234 372 R C 1.792 178.065 176.300 -0.045 0.000 1.134 372 R CA 1.665 57.663 56.100 -0.171 0.000 0.952 372 R CB 0.032 30.275 30.300 -0.095 0.000 0.850 372 R HN 0.221 nan 8.270 nan 0.000 0.433 373 E N 0.343 120.490 120.200 -0.088 0.000 2.106 373 E HA -0.203 4.149 4.350 0.004 0.000 0.192 373 E C 1.942 178.530 176.600 -0.020 0.000 0.984 373 E CA 1.046 57.419 56.400 -0.045 0.000 0.806 373 E CB -0.101 29.561 29.700 -0.063 0.000 0.750 373 E HN 0.210 nan 8.360 nan 0.000 0.458 374 L N 1.585 122.788 121.223 -0.034 0.000 2.046 374 L HA -0.182 4.160 4.340 0.004 0.000 0.208 374 L C 2.230 179.120 176.870 0.034 0.000 1.077 374 L CA 1.921 56.757 54.840 -0.006 0.000 0.747 374 L CB -0.352 41.696 42.059 -0.019 0.000 0.896 374 L HN 0.054 nan 8.230 nan 0.000 0.432 375 E N -0.555 119.679 120.200 0.058 0.000 2.077 375 E HA -0.243 4.109 4.350 0.004 0.000 0.193 375 E C 2.080 178.732 176.600 0.086 0.000 0.989 375 E CA 1.213 57.672 56.400 0.099 0.000 0.800 375 E CB -0.193 29.608 29.700 0.168 0.000 0.746 375 E HN 0.620 nan 8.360 nan 0.000 0.452 376 A N 0.954 123.816 122.820 0.070 0.000 1.902 376 A HA -0.152 4.170 4.320 0.004 0.000 0.217 376 A C 2.203 179.821 177.584 0.057 0.000 1.181 376 A CA 1.184 53.255 52.037 0.057 0.000 0.623 376 A CB -0.633 18.391 19.000 0.040 0.000 0.818 376 A HN 0.316 nan 8.150 nan 0.000 0.443 377 L N -0.772 120.485 121.223 0.057 0.000 2.093 377 L HA -0.143 4.199 4.340 0.004 0.000 0.208 377 L C 2.551 179.499 176.870 0.130 0.000 1.085 377 L CA 0.838 55.721 54.840 0.072 0.000 0.755 377 L CB -0.490 41.602 42.059 0.056 0.000 0.904 377 L HN 0.370 nan 8.230 nan 0.000 0.435 378 L N -0.271 121.040 121.223 0.147 0.000 2.042 378 L HA -0.256 4.086 4.340 0.004 0.000 0.210 378 L C 2.650 179.646 176.870 0.211 0.000 1.076 378 L CA 1.532 56.524 54.840 0.254 0.000 0.749 378 L CB -0.460 41.702 42.059 0.171 0.000 0.893 378 L HN 0.216 nan 8.230 nan 0.000 0.432 379 K N -0.061 120.411 120.400 0.119 0.000 2.026 379 K HA -0.190 4.133 4.320 0.004 0.000 0.208 379 K C 1.985 178.606 176.600 0.035 0.000 1.048 379 K CA 1.491 57.820 56.287 0.070 0.000 0.929 379 K CB -0.166 32.367 32.500 0.055 0.000 0.713 379 K HN 0.349 nan 8.250 nan 0.000 0.439 380 E N 0.794 121.018 120.200 0.040 0.000 2.153 380 E HA -0.194 4.158 4.350 0.004 0.000 0.194 380 E C 1.487 178.076 176.600 -0.019 0.000 0.988 380 E CA 1.012 57.420 56.400 0.013 0.000 0.811 380 E CB 0.099 29.813 29.700 0.022 0.000 0.746 380 E HN 0.358 nan 8.360 nan 0.000 0.466 381 Q N -0.924 118.866 119.800 -0.016 0.000 2.247 381 Q HA 0.155 4.497 4.340 0.004 0.000 0.204 381 Q C 0.602 176.349 176.000 -0.421 0.000 0.872 381 Q CA 0.308 56.029 55.803 -0.138 0.000 0.951 381 Q CB 1.358 30.102 28.738 0.011 0.000 1.099 381 Q HN 0.351 nan 8.270 nan 0.000 0.501 382 G N 0.897 109.539 108.800 -0.262 0.000 2.132 382 G HA2 -0.266 3.696 3.960 0.004 0.000 0.234 382 G HA3 -0.266 3.696 3.960 0.004 0.000 0.234 382 G C -0.223 174.492 174.900 -0.308 0.000 0.989 382 G CA -0.374 44.560 45.100 -0.276 0.000 0.676 382 G HN 0.302 nan 8.290 nan 0.000 0.522 383 F N 0.479 120.434 119.950 0.009 0.000 2.396 383 F HA 0.516 5.045 4.527 0.002 0.000 0.343 383 F C 1.774 177.582 175.800 0.014 0.000 1.104 383 F CA 0.170 58.177 58.000 0.011 0.000 1.161 383 F CB 1.551 40.557 39.000 0.010 0.000 1.146 383 F HN -0.009 nan 8.300 nan 0.000 0.522 384 G N 1.745 110.663 108.800 0.197 0.000 2.448 384 G HA2 0.359 4.321 3.960 0.004 0.000 0.218 384 G HA3 0.359 4.321 3.960 0.004 0.000 0.218 384 G C 0.492 175.461 174.900 0.115 0.000 1.135 384 G CA 0.680 45.851 45.100 0.119 0.000 0.784 384 G HN 0.982 nan 8.290 nan 0.000 0.543 385 G N -2.041 106.839 108.800 0.133 0.000 2.495 385 G HA2 0.332 4.295 3.960 0.004 0.000 0.294 385 G HA3 0.332 4.295 3.960 0.004 0.000 0.294 385 G C 0.431 175.350 174.900 0.033 0.000 1.397 385 G CA 0.163 45.313 45.100 0.083 0.000 0.790 385 G HN 0.081 nan 8.290 nan 0.000 0.486 386 V N 0.335 120.250 119.914 0.000 0.000 2.324 386 V HA -0.178 3.944 4.120 0.004 0.000 0.250 386 V C 3.118 179.154 176.094 -0.096 0.000 1.060 386 V CA 2.938 65.198 62.300 -0.066 0.000 1.042 386 V CB -0.915 30.889 31.823 -0.032 0.000 0.650 386 V HN 0.852 nan 8.190 nan 0.000 0.450 387 T N -0.532 113.999 114.554 -0.037 0.000 2.759 387 T HA -0.207 4.145 4.350 0.004 0.000 0.269 387 T C 1.599 176.279 174.700 -0.034 0.000 1.042 387 T CA 1.646 63.728 62.100 -0.030 0.000 1.140 387 T CB -0.387 68.484 68.868 0.005 0.000 0.864 387 T HN 0.541 nan 8.240 nan 0.000 0.455 388 D N 1.215 121.612 120.400 -0.005 0.000 2.219 388 D HA 0.027 4.669 4.640 0.004 0.000 0.205 388 D C 2.136 178.402 176.300 -0.056 0.000 0.970 388 D CA 0.919 54.958 54.000 0.065 0.000 0.851 388 D CB -0.092 40.840 40.800 0.220 0.000 0.943 388 D HN 0.458 nan 8.370 nan 0.000 0.488 389 A N 0.542 123.118 122.820 -0.407 0.000 2.132 389 A HA 0.092 4.414 4.320 0.004 0.000 0.213 389 A C 1.266 178.606 177.584 -0.407 0.000 1.154 389 A CA -0.229 51.277 52.037 -0.886 0.000 0.753 389 A CB -0.151 18.094 19.000 -1.259 0.000 0.826 389 A HN 0.102 nan 8.150 nan 0.000 0.469 390 I N 0.796 121.225 120.570 -0.236 0.000 2.752 390 I HA 0.186 4.358 4.170 0.004 0.000 0.286 390 I C 1.548 177.559 176.117 -0.176 0.000 1.180 390 I CA 1.220 62.411 61.300 -0.182 0.000 1.404 390 I CB -0.061 37.880 38.000 -0.099 0.000 1.389 390 I HN 0.449 nan 8.210 nan 0.000 0.549 391 G N 4.550 113.154 108.800 -0.328 0.000 2.155 391 G HA2 -0.351 3.612 3.960 0.004 0.000 0.257 391 G HA3 -0.351 3.612 3.960 0.004 0.000 0.257 391 G C 1.110 175.987 174.900 -0.038 0.000 0.983 391 G CA 0.464 45.305 45.100 -0.430 0.000 0.676 391 G HN 0.870 nan 8.290 nan 0.000 0.528 392 A N 0.057 122.859 122.820 -0.031 0.000 1.978 392 A HA 0.020 4.342 4.320 0.004 0.000 0.220 392 A C 2.006 179.645 177.584 0.092 0.000 1.170 392 A CA 2.255 54.342 52.037 0.083 0.000 0.636 392 A CB -0.314 18.779 19.000 0.155 0.000 0.810 392 A HN 0.410 nan 8.150 nan 0.000 0.448 393 D N -0.757 119.660 120.400 0.029 0.000 2.218 393 D HA -0.115 4.527 4.640 0.004 0.000 0.204 393 D C 1.466 177.721 176.300 -0.076 0.000 0.976 393 D CA 1.016 54.987 54.000 -0.049 0.000 0.853 393 D CB -0.433 40.273 40.800 -0.157 0.000 0.939 393 D HN 0.661 nan 8.370 nan 0.000 0.481 394 H N -0.319 118.757 119.070 0.011 0.000 2.551 394 H HA 0.179 4.737 4.556 0.003 0.000 0.266 394 H C 1.269 176.639 175.328 0.071 0.000 0.977 394 H CA 0.435 56.521 56.048 0.064 0.000 1.163 394 H CB 0.603 30.458 29.762 0.154 0.000 1.381 394 H HN 0.121 nan 8.280 nan 0.000 0.581 395 R N 0.577 121.173 120.500 0.161 0.000 2.397 395 R HA 0.161 4.503 4.340 0.004 0.000 0.241 395 R C 0.691 177.035 176.300 0.074 0.000 0.914 395 R CA -0.158 56.012 56.100 0.117 0.000 1.071 395 R CB 0.896 31.267 30.300 0.118 0.000 1.116 395 R HN 0.137 nan 8.270 nan 0.000 0.524 396 R N 0.000 120.533 120.500 0.055 0.000 2.786 396 R HA 0.000 4.342 4.340 0.004 0.000 0.208 396 R CA 0.000 56.119 56.100 0.032 0.000 0.921 396 R CB 0.000 30.311 30.300 0.019 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535