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 1qz5_1_A DATA FIRST_RESID 5 DATA SEQUENCE TTALVCDNGS GLVKAGFAGD DAPRAVFPSI VGRPXXXXXX XXXXXXDSYV DATA SEQUENCE GDEAQSKRGI LTLKYPIEXG IITNWDDMEK IWHHTFYNEL RVAPEEHPTL DATA SEQUENCE LTEAPLNPKA NREKMTQIMF ETFNVPAMYV AIQAVLSLYA SGRTTGIVLD DATA SEQUENCE SGDGVTHNVP IYEGYALPHA IMRLDLAGRD LTDYLMKILT ERGYSFVTTA DATA SEQUENCE EREIVRDIKE KLCYVALDFE NEMATAASSS SLEKSYELPD GQVITIGNER DATA SEQUENCE FRCPETLFQP SFIGMESAGI HETTYNSIMK CDIDIRKDLY ANNVMSGGTT DATA SEQUENCE MYPGIADRMQ KEITALAPST MKIKIIAPPE RKYSVWIGGS ILASLSTFQQ DATA SEQUENCE MWITKQEYDE AGPSIVHRKC F 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.680 174.700 -0.034 0.000 1.109 5 T CA 0.000 61.955 62.100 -0.242 0.000 1.349 5 T CB 0.000 68.781 68.868 -0.145 0.000 0.612 6 T N 3.367 118.008 114.554 0.145 0.000 2.946 6 T HA 0.538 4.888 4.350 0.001 0.000 0.312 6 T C 0.832 175.753 174.700 0.367 0.000 1.066 6 T CA 0.508 62.755 62.100 0.245 0.000 1.138 6 T CB 0.602 69.618 68.868 0.246 0.000 1.014 6 T HN 0.802 nan 8.240 nan 0.000 0.544 7 A N 3.251 126.225 122.820 0.255 0.000 2.407 7 A HA 0.569 4.890 4.320 0.001 0.000 0.248 7 A C 0.105 177.821 177.584 0.219 0.000 1.082 7 A CA -0.545 51.617 52.037 0.209 0.000 0.785 7 A CB 0.063 19.250 19.000 0.310 0.000 1.020 7 A HN 0.807 nan 8.150 nan 0.000 0.489 8 L N 1.481 122.772 121.223 0.115 0.000 2.344 8 L HA 0.594 4.934 4.340 0.001 0.000 0.272 8 L C -0.737 176.167 176.870 0.056 0.000 1.035 8 L CA -0.848 53.995 54.840 0.004 0.000 0.807 8 L CB 1.704 43.722 42.059 -0.069 0.000 1.237 8 L HN 0.391 nan 8.230 nan 0.000 0.442 9 V N 1.317 121.244 119.914 0.023 0.000 2.483 9 V HA 0.272 4.392 4.120 0.001 0.000 0.297 9 V C -0.779 175.387 176.094 0.120 0.000 1.027 9 V CA -0.546 61.737 62.300 -0.028 0.000 0.855 9 V CB 1.834 33.420 31.823 -0.394 0.000 0.995 9 V HN 0.875 nan 8.190 nan 0.000 0.424 10 C N 4.386 123.730 119.300 0.075 0.000 2.316 10 C HA 0.626 5.087 4.460 0.001 0.000 0.324 10 C C -0.513 174.555 174.990 0.131 0.000 1.226 10 C CA -0.484 58.599 59.018 0.108 0.000 1.450 10 C CB 0.348 28.108 27.740 0.034 0.000 2.123 10 C HN 0.963 nan 8.230 nan 0.000 0.454 11 D N 4.609 125.111 120.400 0.169 0.000 2.412 11 D HA 0.254 4.894 4.640 0.001 0.000 0.224 11 D C -0.285 176.047 176.300 0.053 0.000 1.093 11 D CA 0.040 54.115 54.000 0.125 0.000 0.850 11 D CB 0.495 41.407 40.800 0.186 0.000 1.046 11 D HN 0.606 nan 8.370 nan 0.000 0.507 12 N N 3.245 121.981 118.700 0.060 0.000 2.439 12 N HA 0.346 5.087 4.740 0.001 0.000 0.243 12 N C 0.211 175.703 175.510 -0.030 0.000 1.088 12 N CA -0.260 52.790 53.050 0.000 0.000 0.940 12 N CB 1.562 40.087 38.487 0.063 0.000 1.180 12 N HN 0.421 nan 8.380 nan 0.000 0.505 13 G N 0.075 108.836 108.800 -0.065 0.000 2.509 13 G HA2 0.240 4.200 3.960 0.001 0.000 0.328 13 G HA3 0.240 4.200 3.960 0.001 0.000 0.328 13 G C 0.664 175.536 174.900 -0.047 0.000 1.194 13 G CA -0.498 44.578 45.100 -0.041 0.000 0.967 13 G HN 0.335 nan 8.290 nan 0.000 0.488 14 S N -0.057 115.632 115.700 -0.018 0.000 2.382 14 S HA -0.088 4.382 4.470 0.001 0.000 0.228 14 S C 2.203 176.842 174.600 0.065 0.000 1.027 14 S CA 1.601 59.803 58.200 0.004 0.000 0.991 14 S CB -0.067 63.125 63.200 -0.013 0.000 0.823 14 S HN 0.811 nan 8.310 nan 0.000 0.469 15 G N -0.197 108.625 108.800 0.037 0.000 2.727 15 G HA2 0.439 4.400 3.960 0.001 0.000 0.203 15 G HA3 0.439 4.400 3.960 0.001 0.000 0.203 15 G C 0.178 175.083 174.900 0.008 0.000 1.117 15 G CA -0.161 44.985 45.100 0.077 0.000 0.817 15 G HN 0.332 nan 8.290 nan 0.000 0.553 16 L N 1.153 122.340 121.223 -0.059 0.000 2.408 16 L HA 0.510 4.850 4.340 0.001 0.000 0.268 16 L C -0.902 175.819 176.870 -0.247 0.000 0.986 16 L CA -1.002 53.749 54.840 -0.148 0.000 0.820 16 L CB 3.006 45.015 42.059 -0.083 0.000 1.303 16 L HN -0.220 nan 8.230 nan 0.000 0.411 17 V N 2.520 122.125 119.914 -0.515 0.000 2.498 17 V HA 0.313 4.433 4.120 0.001 0.000 0.279 17 V C -0.221 175.591 176.094 -0.470 0.000 1.048 17 V CA -0.508 61.444 62.300 -0.579 0.000 0.967 17 V CB 1.391 32.583 31.823 -1.051 0.000 0.988 17 V HN 0.569 nan 8.190 nan 0.000 0.473 18 K N 3.901 124.150 120.400 -0.250 0.000 2.394 18 K HA 0.818 5.139 4.320 0.001 0.000 0.260 18 K C -0.481 176.018 176.600 -0.168 0.000 0.967 18 K CA 0.019 56.143 56.287 -0.273 0.000 0.855 18 K CB 1.919 34.284 32.500 -0.225 0.000 1.101 18 K HN 0.866 nan 8.250 nan 0.000 0.433 19 A N 1.491 124.145 122.820 -0.277 0.000 2.539 19 A HA 0.952 5.273 4.320 0.001 0.000 0.296 19 A C -0.365 177.101 177.584 -0.195 0.000 1.073 19 A CA -0.150 51.849 52.037 -0.064 0.000 0.700 19 A CB 1.769 20.732 19.000 -0.062 0.000 1.296 19 A HN 0.705 nan 8.150 nan 0.000 0.405 20 G N -0.614 108.215 108.800 0.048 0.000 2.393 20 G HA2 0.522 4.482 3.960 0.001 0.000 0.264 20 G HA3 0.522 4.482 3.960 0.001 0.000 0.264 20 G C -1.723 173.118 174.900 -0.098 0.000 1.221 20 G CA -0.591 44.445 45.100 -0.107 0.000 0.912 20 G HN 0.684 nan 8.290 nan 0.000 0.483 21 F N 1.521 121.681 119.950 0.351 0.000 2.469 21 F HA 0.697 5.225 4.527 0.001 0.000 0.332 21 F C 0.954 176.890 175.800 0.226 0.000 1.103 21 F CA -0.237 57.896 58.000 0.221 0.000 0.979 21 F CB 2.102 41.179 39.000 0.128 0.000 1.137 21 F HN 0.657 nan 8.300 nan 0.000 0.463 22 A N 1.892 124.869 122.820 0.261 0.000 2.546 22 A HA 0.409 4.730 4.320 0.001 0.000 0.243 22 A C 1.270 178.939 177.584 0.142 0.000 1.063 22 A CA 0.889 52.984 52.037 0.098 0.000 0.757 22 A CB -0.790 18.268 19.000 0.097 0.000 0.991 22 A HN 1.602 nan 8.150 nan 0.000 0.503 23 G N 2.134 110.978 108.800 0.074 0.000 2.258 23 G HA2 -0.201 3.760 3.960 0.001 0.000 0.233 23 G HA3 -0.201 3.760 3.960 0.001 0.000 0.233 23 G C 0.047 175.037 174.900 0.150 0.000 1.006 23 G CA 0.364 45.519 45.100 0.091 0.000 0.620 23 G HN 0.829 nan 8.290 nan 0.000 0.511 24 D N 0.788 121.349 120.400 0.267 0.000 2.357 24 D HA 0.463 5.103 4.640 0.001 0.000 0.242 24 D C 0.845 177.361 176.300 0.360 0.000 1.153 24 D CA -0.297 53.889 54.000 0.311 0.000 0.918 24 D CB 0.619 41.657 40.800 0.397 0.000 1.181 24 D HN 0.069 nan 8.370 nan 0.000 0.435 25 D N -0.535 120.013 120.400 0.248 0.000 2.350 25 D HA 0.288 4.928 4.640 0.001 0.000 0.213 25 D C -0.107 176.339 176.300 0.243 0.000 1.031 25 D CA 0.261 54.402 54.000 0.236 0.000 0.861 25 D CB 0.372 41.256 40.800 0.140 0.000 0.926 25 D HN 0.347 nan 8.370 nan 0.000 0.520 26 A N 0.561 123.433 122.820 0.087 0.000 2.612 26 A HA 0.551 4.872 4.320 0.001 0.000 0.293 26 A C -2.801 174.173 177.584 -1.017 0.000 1.075 26 A CA -1.256 50.604 52.037 -0.295 0.000 0.680 26 A CB 1.395 20.342 19.000 -0.088 0.000 1.279 26 A HN -0.228 nan 8.150 nan 0.000 0.411 27 P HA 0.223 nan 4.420 nan 0.000 0.271 27 P C 0.079 176.928 177.300 -0.751 0.000 1.216 27 P CA 0.031 62.115 63.100 -1.693 0.000 0.771 27 P CB 0.887 31.516 31.700 -1.785 0.000 0.864 28 R N 2.010 122.243 120.500 -0.445 0.000 2.193 28 R HA 0.136 4.476 4.340 0.001 0.000 0.213 28 R C 0.756 176.960 176.300 -0.160 0.000 1.055 28 R CA 0.743 56.726 56.100 -0.195 0.000 0.995 28 R CB 0.144 30.426 30.300 -0.030 0.000 0.893 28 R HN 0.536 nan 8.270 nan 0.000 0.459 29 A N 0.864 123.563 122.820 -0.201 0.000 2.304 29 A HA 0.548 4.868 4.320 0.001 0.000 0.314 29 A C -0.955 176.575 177.584 -0.089 0.000 1.187 29 A CA -0.501 51.504 52.037 -0.054 0.000 0.810 29 A CB 1.440 20.458 19.000 0.030 0.000 1.183 29 A HN -0.027 nan 8.150 nan 0.000 0.487 30 V N 3.727 123.646 119.914 0.009 0.000 2.524 30 V HA 0.698 4.818 4.120 0.001 0.000 0.297 30 V C -0.914 175.252 176.094 0.120 0.000 1.035 30 V CA -0.367 61.907 62.300 -0.043 0.000 0.867 30 V CB 0.556 32.358 31.823 -0.035 0.000 1.004 30 V HN 0.954 nan 8.190 nan 0.000 0.426 31 F N 4.030 123.968 119.950 -0.019 0.000 2.668 31 F HA 0.923 5.450 4.527 0.001 0.000 0.309 31 F C -3.161 172.632 175.800 -0.012 0.000 1.117 31 F CA -2.901 55.100 58.000 0.002 0.000 0.951 31 F CB 1.638 40.662 39.000 0.041 0.000 1.323 31 F HN 0.249 nan 8.300 nan 0.000 0.451 32 P HA 0.118 nan 4.420 nan 0.000 0.271 32 P C -0.368 176.931 177.300 -0.003 0.000 1.216 32 P CA -0.109 63.007 63.100 0.026 0.000 0.776 32 P CB 1.210 32.932 31.700 0.037 0.000 0.881 33 S N 2.796 118.430 115.700 -0.111 0.000 4.069 33 S HA 0.242 4.712 4.470 0.001 0.000 0.192 33 S C 0.622 175.074 174.600 -0.246 0.000 1.441 33 S CA -0.303 57.811 58.200 -0.143 0.000 0.994 33 S CB -1.575 61.553 63.200 -0.121 0.000 1.456 33 S HN 0.337 nan 8.310 nan 0.000 0.458 34 I N -1.907 118.515 120.570 -0.247 0.000 2.686 34 I HA 0.766 4.937 4.170 0.001 0.000 0.295 34 I C -1.042 174.940 176.117 -0.226 0.000 1.114 34 I CA -1.202 59.847 61.300 -0.417 0.000 1.038 34 I CB 2.152 39.847 38.000 -0.508 0.000 1.238 34 I HN -0.180 nan 8.210 nan 0.000 0.420 35 V N 3.869 123.657 119.914 -0.209 0.000 2.487 35 V HA 0.802 4.922 4.120 0.001 0.000 0.298 35 V C 0.445 176.492 176.094 -0.079 0.000 1.028 35 V CA -0.300 61.931 62.300 -0.116 0.000 0.860 35 V CB 1.580 33.349 31.823 -0.089 0.000 0.991 35 V HN 1.011 nan 8.190 nan 0.000 0.427 36 G N 4.016 112.807 108.800 -0.015 0.000 2.452 36 G HA2 0.790 4.750 3.960 0.001 0.000 0.324 36 G HA3 0.790 4.750 3.960 0.001 0.000 0.324 36 G C -0.905 174.058 174.900 0.104 0.000 1.214 36 G CA -0.767 44.354 45.100 0.035 0.000 0.947 36 G HN 0.610 nan 8.290 nan 0.000 0.478 37 R N 2.094 122.644 120.500 0.083 0.000 2.673 37 R HA 0.409 4.749 4.340 0.001 0.000 0.281 37 R C -2.521 173.831 176.300 0.088 0.000 0.991 37 R CA -1.552 54.603 56.100 0.092 0.000 0.896 37 R CB 2.515 32.839 30.300 0.041 0.000 1.201 37 R HN 0.330 nan 8.270 nan 0.000 0.457 52 S N -0.706 114.770 115.700 -0.374 0.000 2.537 52 S HA 0.681 5.152 4.470 0.001 0.000 0.270 52 S C -1.985 172.303 174.600 -0.520 0.000 1.142 52 S CA -0.773 57.241 58.200 -0.309 0.000 0.870 52 S CB 1.884 65.000 63.200 -0.140 0.000 1.112 52 S HN 0.208 nan 8.310 nan 0.000 0.466 53 Y N 0.441 120.707 120.300 -0.057 0.000 2.446 53 Y HA 0.722 5.273 4.550 0.001 0.000 0.345 53 Y C -0.256 175.554 175.900 -0.149 0.000 0.984 53 Y CA -0.994 57.055 58.100 -0.085 0.000 1.058 53 Y CB 2.220 40.638 38.460 -0.070 0.000 1.220 53 Y HN 0.648 nan 8.280 nan 0.000 0.455 54 V N 2.279 122.118 119.914 -0.124 0.000 2.604 54 V HA 0.781 4.901 4.120 0.001 0.000 0.305 54 V C 0.506 176.289 176.094 -0.518 0.000 1.043 54 V CA -0.171 61.924 62.300 -0.342 0.000 0.888 54 V CB 0.973 32.513 31.823 -0.472 0.000 0.995 54 V HN 1.106 nan 8.190 nan 0.000 0.429 55 G N 4.080 112.724 108.800 -0.259 0.000 2.536 55 G HA2 -0.286 3.674 3.960 0.001 0.000 0.280 55 G HA3 -0.286 3.674 3.960 0.001 0.000 0.280 55 G C 0.551 175.431 174.900 -0.033 0.000 1.152 55 G CA 0.678 45.737 45.100 -0.067 0.000 0.970 55 G HN 0.633 nan 8.290 nan 0.000 0.549 56 D N 1.068 121.473 120.400 0.007 0.000 2.149 56 D HA -0.018 4.623 4.640 0.001 0.000 0.198 56 D C 2.386 178.680 176.300 -0.011 0.000 0.990 56 D CA 1.652 55.669 54.000 0.027 0.000 0.839 56 D CB -0.371 40.461 40.800 0.053 0.000 0.948 56 D HN 0.724 nan 8.370 nan 0.000 0.460 57 E N 0.444 120.629 120.200 -0.025 0.000 2.097 57 E HA -0.187 4.164 4.350 0.001 0.000 0.196 57 E C 1.964 178.521 176.600 -0.070 0.000 1.000 57 E CA 1.312 57.705 56.400 -0.011 0.000 0.804 57 E CB -0.081 29.679 29.700 0.099 0.000 0.740 57 E HN 0.241 nan 8.360 nan 0.000 0.454 58 A N 0.451 123.244 122.820 -0.045 0.000 2.072 58 A HA -0.122 4.198 4.320 0.001 0.000 0.216 58 A C 2.013 179.560 177.584 -0.062 0.000 1.156 58 A CA 0.983 52.989 52.037 -0.052 0.000 0.701 58 A CB -0.059 18.921 19.000 -0.034 0.000 0.816 58 A HN 0.100 nan 8.150 nan 0.000 0.458 59 Q N -0.752 119.022 119.800 -0.043 0.000 2.123 59 Q HA 0.069 4.410 4.340 0.001 0.000 0.196 59 Q C 1.826 177.811 176.000 -0.023 0.000 0.958 59 Q CA 1.552 57.343 55.803 -0.021 0.000 0.841 59 Q CB -0.109 28.632 28.738 0.004 0.000 0.915 59 Q HN 0.420 nan 8.270 nan 0.000 0.455 60 S N -0.497 115.183 115.700 -0.033 0.000 2.710 60 S HA 0.179 4.650 4.470 0.001 0.000 0.224 60 S C -0.350 174.210 174.600 -0.067 0.000 0.948 60 S CA -0.095 58.085 58.200 -0.035 0.000 0.949 60 S CB -0.059 63.128 63.200 -0.023 0.000 0.778 60 S HN 0.186 nan 8.310 nan 0.000 0.498 61 K N 2.550 122.891 120.400 -0.099 0.000 3.022 61 K HA 0.177 4.498 4.320 0.001 0.000 0.178 61 K C -0.079 176.466 176.600 -0.092 0.000 1.089 61 K CA -0.424 55.782 56.287 -0.134 0.000 0.916 61 K CB 0.708 33.048 32.500 -0.267 0.000 1.159 61 K HN 0.390 nan 8.250 nan 0.000 0.592 62 R N -0.553 119.918 120.500 -0.050 0.000 2.784 62 R HA 0.264 4.605 4.340 0.001 0.000 0.266 62 R C 0.804 177.094 176.300 -0.017 0.000 1.044 62 R CA 0.818 56.904 56.100 -0.022 0.000 1.151 62 R CB 0.132 30.430 30.300 -0.002 0.000 1.037 62 R HN 0.356 nan 8.270 nan 0.000 0.478 63 G N 2.403 111.202 108.800 -0.001 0.000 4.655 63 G HA2 -0.445 3.516 3.960 0.001 0.000 0.220 63 G HA3 -0.445 3.516 3.960 0.001 0.000 0.220 63 G C 0.910 175.811 174.900 0.002 0.000 1.403 63 G CA 0.622 45.725 45.100 0.006 0.000 0.931 63 G HN 0.878 nan 8.290 nan 0.000 0.654 64 I N 0.689 121.254 120.570 -0.009 0.000 2.916 64 I HA 0.390 4.560 4.170 0.001 0.000 0.267 64 I C 0.955 177.072 176.117 -0.000 0.000 1.263 64 I CA 0.698 61.994 61.300 -0.006 0.000 1.471 64 I CB -0.189 37.802 38.000 -0.016 0.000 1.089 64 I HN 0.251 nan 8.210 nan 0.000 0.468 65 L N 2.450 123.669 121.223 -0.006 0.000 2.295 65 L HA 0.399 4.740 4.340 0.001 0.000 0.285 65 L C 0.381 177.262 176.870 0.018 0.000 1.035 65 L CA -0.720 54.126 54.840 0.009 0.000 0.806 65 L CB 1.467 43.522 42.059 -0.007 0.000 1.214 65 L HN 0.233 nan 8.230 nan 0.000 0.426 66 T N 1.502 116.072 114.554 0.027 0.000 2.856 66 T HA 0.586 4.936 4.350 0.001 0.000 0.292 66 T C -0.240 174.475 174.700 0.026 0.000 0.980 66 T CA -0.697 61.422 62.100 0.032 0.000 1.091 66 T CB 0.919 69.807 68.868 0.033 0.000 0.936 66 T HN 0.321 nan 8.240 nan 0.000 0.503 67 L N 2.406 123.650 121.223 0.035 0.000 2.325 67 L HA 0.583 4.924 4.340 0.001 0.000 0.278 67 L C 0.454 177.340 176.870 0.028 0.000 1.023 67 L CA -1.038 53.800 54.840 -0.004 0.000 0.811 67 L CB 1.623 43.673 42.059 -0.015 0.000 1.249 67 L HN 0.635 nan 8.230 nan 0.000 0.431 68 K N 1.885 122.259 120.400 -0.044 0.000 2.259 68 K HA 0.492 4.813 4.320 0.001 0.000 0.249 68 K C -1.637 174.900 176.600 -0.105 0.000 0.942 68 K CA -0.683 55.605 56.287 0.003 0.000 0.816 68 K CB 2.119 34.613 32.500 -0.009 0.000 1.155 68 K HN 0.290 nan 8.250 nan 0.000 0.428 69 Y N 1.869 122.137 120.300 -0.052 0.000 2.575 69 Y HA 0.212 4.763 4.550 0.001 0.000 0.326 69 Y C -1.824 174.012 175.900 -0.107 0.000 0.979 69 Y CA -2.114 55.943 58.100 -0.072 0.000 1.286 69 Y CB 1.331 39.755 38.460 -0.060 0.000 1.093 69 Y HN 0.535 nan 8.280 nan 0.000 0.501 70 P HA -0.039 nan 4.420 nan 0.000 0.226 70 P C -0.263 176.919 177.300 -0.197 0.000 1.153 70 P CA 1.327 64.332 63.100 -0.157 0.000 0.777 70 P CB 0.492 32.049 31.700 -0.239 0.000 0.794 71 I N -0.167 120.330 120.570 -0.122 0.000 2.355 71 I HA 0.231 4.401 4.170 0.001 0.000 0.288 71 I C 0.552 176.639 176.117 -0.049 0.000 0.999 71 I CA -0.564 60.663 61.300 -0.122 0.000 1.163 71 I CB 1.741 39.668 38.000 -0.121 0.000 1.316 71 I HN -0.169 nan 8.210 nan 0.000 0.454 75 I N 2.482 123.052 120.570 0.001 0.000 2.377 75 I HA 0.450 4.621 4.170 0.001 0.000 0.293 75 I C 0.228 176.281 176.117 -0.106 0.000 0.987 75 I CA -1.229 60.065 61.300 -0.010 0.000 1.185 75 I CB 1.455 39.470 38.000 0.026 0.000 1.341 75 I HN -0.045 nan 8.210 nan 0.000 0.455 76 I N 5.900 126.354 120.570 -0.193 0.000 2.587 76 I HA -0.021 4.150 4.170 0.001 0.000 0.284 76 I C 1.323 177.112 176.117 -0.547 0.000 1.134 76 I CA 0.450 61.452 61.300 -0.497 0.000 1.410 76 I CB 0.499 37.977 38.000 -0.871 0.000 1.392 76 I HN 0.738 nan 8.210 nan 0.000 0.545 77 T N 0.455 114.734 114.554 -0.458 0.000 2.958 77 T HA 0.108 4.459 4.350 0.001 0.000 0.256 77 T C 0.515 175.059 174.700 -0.261 0.000 0.983 77 T CA -0.293 61.647 62.100 -0.267 0.000 0.924 77 T CB 0.089 68.900 68.868 -0.096 0.000 1.136 77 T HN 0.445 nan 8.240 nan 0.000 0.506 78 N N 0.002 118.485 118.700 -0.362 0.000 2.569 78 N HA 0.269 5.009 4.740 0.001 0.000 0.254 78 N C -0.527 174.831 175.510 -0.254 0.000 1.004 78 N CA -0.890 52.048 53.050 -0.186 0.000 0.904 78 N CB 0.684 39.107 38.487 -0.107 0.000 1.165 78 N HN 0.296 nan 8.380 nan 0.000 0.513 79 W N 1.716 123.024 121.300 0.013 0.000 2.453 79 W HA 0.078 4.738 4.660 0.001 0.000 0.289 79 W C 1.582 178.124 176.519 0.038 0.000 1.215 79 W CA 0.204 57.568 57.345 0.032 0.000 1.297 79 W CB 0.359 29.866 29.460 0.077 0.000 1.113 79 W HN 0.456 nan 8.180 nan 0.000 0.551 80 D N 0.171 120.706 120.400 0.225 0.000 2.144 80 D HA -0.154 4.487 4.640 0.001 0.000 0.200 80 D C 1.274 177.622 176.300 0.080 0.000 0.978 80 D CA 1.426 55.515 54.000 0.149 0.000 0.833 80 D CB -0.341 40.523 40.800 0.106 0.000 0.961 80 D HN 0.142 nan 8.370 nan 0.000 0.470 81 D N 0.130 120.538 120.400 0.014 0.000 2.183 81 D HA -0.081 4.560 4.640 0.001 0.000 0.203 81 D C 1.947 178.189 176.300 -0.097 0.000 0.969 81 D CA 0.301 54.279 54.000 -0.037 0.000 0.842 81 D CB -0.137 40.625 40.800 -0.063 0.000 0.957 81 D HN 0.079 nan 8.370 nan 0.000 0.484 82 M N 0.965 120.455 119.600 -0.184 0.000 2.117 82 M HA -0.121 4.359 4.480 0.001 0.000 0.262 82 M C 1.644 177.780 176.300 -0.273 0.000 1.065 82 M CA 1.475 56.525 55.300 -0.417 0.000 1.114 82 M CB -0.131 32.059 32.600 -0.683 0.000 1.361 82 M HN -0.078 nan 8.290 nan 0.000 0.408 83 E N -0.383 119.892 120.200 0.125 0.000 2.118 83 E HA -0.243 4.107 4.350 0.001 0.000 0.195 83 E C 1.950 178.814 176.600 0.440 0.000 0.992 83 E CA 1.435 58.127 56.400 0.486 0.000 0.804 83 E CB -0.178 29.770 29.700 0.415 0.000 0.741 83 E HN 0.581 nan 8.360 nan 0.000 0.458 84 K N 0.495 121.025 120.400 0.217 0.000 2.097 84 K HA -0.115 4.206 4.320 0.001 0.000 0.206 84 K C 2.181 178.919 176.600 0.231 0.000 1.049 84 K CA 0.997 57.407 56.287 0.207 0.000 0.933 84 K CB -0.109 32.436 32.500 0.075 0.000 0.717 84 K HN 0.148 nan 8.250 nan 0.000 0.442 85 I N -0.198 120.425 120.570 0.088 0.000 2.226 85 I HA -0.264 3.906 4.170 0.001 0.000 0.245 85 I C 2.097 178.315 176.117 0.167 0.000 1.100 85 I CA 1.102 62.452 61.300 0.083 0.000 1.374 85 I CB -0.291 37.630 38.000 -0.131 0.000 1.057 85 I HN 0.326 nan 8.210 nan 0.000 0.413 86 W N 0.590 121.942 121.300 0.086 0.000 2.388 86 W HA -0.177 4.483 4.660 0.001 0.000 0.294 86 W C 2.649 179.046 176.519 -0.203 0.000 1.212 86 W CA 1.186 58.388 57.345 -0.239 0.000 1.271 86 W CB -1.351 27.945 29.460 -0.275 0.000 1.126 86 W HN 0.343 nan 8.180 nan 0.000 0.535 87 H N -0.795 118.567 119.070 0.487 0.000 2.321 87 H HA -0.221 4.336 4.556 0.001 0.000 0.300 87 H C 2.130 177.725 175.328 0.445 0.000 1.087 87 H CA 2.388 58.839 56.048 0.671 0.000 1.319 87 H CB -0.379 29.760 29.762 0.629 0.000 1.379 87 H HN 0.147 nan 8.280 nan 0.000 0.501 88 H N 0.129 119.315 119.070 0.195 0.000 2.353 88 H HA -0.088 4.469 4.556 0.001 0.000 0.300 88 H C 2.077 177.309 175.328 -0.161 0.000 1.090 88 H CA 2.396 58.432 56.048 -0.020 0.000 1.327 88 H CB -0.117 29.576 29.762 -0.115 0.000 1.383 88 H HN 0.255 nan 8.280 nan 0.000 0.508 89 T N 0.111 114.596 114.554 -0.115 0.000 2.674 89 T HA -0.134 4.217 4.350 0.001 0.000 0.265 89 T C 1.616 176.120 174.700 -0.325 0.000 1.039 89 T CA 1.609 63.585 62.100 -0.206 0.000 1.150 89 T CB -0.440 68.298 68.868 -0.217 0.000 0.864 89 T HN 0.194 nan 8.240 nan 0.000 0.427 90 F N 0.021 119.810 119.950 -0.270 0.000 2.113 90 F HA 0.067 4.595 4.527 0.001 0.000 0.297 90 F C 2.109 177.614 175.800 -0.492 0.000 1.103 90 F CA 0.613 58.316 58.000 -0.496 0.000 1.248 90 F CB -0.925 37.593 39.000 -0.804 0.000 0.999 90 F HN 0.199 nan 8.300 nan 0.000 0.475 91 Y N -0.700 119.538 120.300 -0.104 0.000 2.301 91 Y HA 0.030 4.581 4.550 0.001 0.000 0.295 91 Y C 2.069 177.860 175.900 -0.181 0.000 1.126 91 Y CA 0.889 58.891 58.100 -0.163 0.000 1.154 91 Y CB -0.914 37.338 38.460 -0.347 0.000 1.075 91 Y HN -0.043 nan 8.280 nan 0.000 0.534 92 N N -0.447 118.159 118.700 -0.156 0.000 2.251 92 N HA -0.092 4.648 4.740 0.001 0.000 0.181 92 N C 1.585 176.912 175.510 -0.306 0.000 1.019 92 N CA 1.228 54.118 53.050 -0.266 0.000 0.862 92 N CB 0.048 38.243 38.487 -0.486 0.000 0.992 92 N HN 0.204 nan 8.380 nan 0.000 0.429 93 E N 0.415 120.375 120.200 -0.401 0.000 2.045 93 E HA 0.096 4.447 4.350 0.001 0.000 0.190 93 E C 1.808 178.326 176.600 -0.136 0.000 0.968 93 E CA 0.667 56.900 56.400 -0.279 0.000 0.813 93 E CB -0.016 29.507 29.700 -0.295 0.000 0.780 93 E HN 0.317 nan 8.360 nan 0.000 0.455 94 L N -0.162 120.982 121.223 -0.132 0.000 2.416 94 L HA 0.177 4.517 4.340 0.001 0.000 0.216 94 L C 0.297 177.181 176.870 0.022 0.000 1.098 94 L CA 0.038 54.840 54.840 -0.064 0.000 0.840 94 L CB 0.020 41.959 42.059 -0.200 0.000 0.981 94 L HN 0.035 nan 8.230 nan 0.000 0.462 95 R N 0.379 120.867 120.500 -0.020 0.000 3.267 95 R HA -0.121 4.219 4.340 0.001 0.000 0.254 95 R C -0.716 175.608 176.300 0.041 0.000 0.993 95 R CA 0.499 56.614 56.100 0.024 0.000 0.670 95 R CB -2.070 28.256 30.300 0.042 0.000 1.125 95 R HN 0.319 nan 8.270 nan 0.000 0.434 96 V N -3.507 116.386 119.914 -0.034 0.000 3.001 96 V HA 0.943 5.064 4.120 0.001 0.000 0.314 96 V C 0.102 176.116 176.094 -0.134 0.000 1.099 96 V CA -0.641 61.635 62.300 -0.040 0.000 0.989 96 V CB 2.344 34.058 31.823 -0.183 0.000 1.040 96 V HN 0.234 nan 8.190 nan 0.000 0.434 97 A N 3.121 125.940 122.820 -0.001 0.000 2.260 97 A HA 0.760 5.081 4.320 0.001 0.000 0.312 97 A C -1.494 176.027 177.584 -0.106 0.000 1.321 97 A CA -1.631 50.387 52.037 -0.031 0.000 0.928 97 A CB 0.596 19.639 19.000 0.072 0.000 1.158 97 A HN 0.783 nan 8.150 nan 0.000 0.542 98 P HA -0.218 nan 4.420 nan 0.000 0.219 98 P C 1.169 178.325 177.300 -0.241 0.000 1.146 98 P CA 1.433 64.182 63.100 -0.586 0.000 0.808 98 P CB 0.194 31.303 31.700 -0.985 0.000 0.779 99 E N 0.568 120.703 120.200 -0.109 0.000 2.418 99 E HA -0.160 4.191 4.350 0.001 0.000 0.197 99 E C 1.007 177.553 176.600 -0.090 0.000 1.026 99 E CA 0.944 57.305 56.400 -0.065 0.000 0.862 99 E CB -0.610 29.083 29.700 -0.012 0.000 0.799 99 E HN 0.414 nan 8.360 nan 0.000 0.518 100 E N 0.252 120.385 120.200 -0.111 0.000 2.474 100 E HA 0.084 4.434 4.350 0.001 0.000 0.195 100 E C -0.064 176.253 176.600 -0.471 0.000 1.039 100 E CA 0.113 56.352 56.400 -0.267 0.000 0.881 100 E CB 0.222 29.727 29.700 -0.324 0.000 0.970 100 E HN 0.345 nan 8.360 nan 0.000 0.486 101 H N 0.669 119.641 119.070 -0.162 0.000 2.689 101 H HA 0.264 4.820 4.556 0.001 0.000 0.346 101 H C -2.592 172.573 175.328 -0.272 0.000 1.037 101 H CA -2.384 53.562 56.048 -0.171 0.000 1.234 101 H CB 1.684 31.379 29.762 -0.111 0.000 1.572 101 H HN -0.100 nan 8.280 nan 0.000 0.524 102 P HA 0.003 nan 4.420 nan 0.000 0.265 102 P C -0.348 176.718 177.300 -0.391 0.000 1.193 102 P CA 0.335 63.046 63.100 -0.649 0.000 0.765 102 P CB 0.615 31.484 31.700 -1.385 0.000 0.823 103 T N 3.814 118.224 114.554 -0.240 0.000 2.840 103 T HA 0.422 4.772 4.350 0.001 0.000 0.287 103 T C -0.478 174.396 174.700 0.290 0.000 0.991 103 T CA -0.472 61.641 62.100 0.022 0.000 0.964 103 T CB 0.442 69.269 68.868 -0.069 0.000 0.954 103 T HN 0.226 nan 8.240 nan 0.000 0.438 104 L N 5.337 126.787 121.223 0.378 0.000 2.264 104 L HA 0.629 4.969 4.340 0.001 0.000 0.289 104 L C -1.097 175.858 176.870 0.143 0.000 1.044 104 L CA -0.592 54.452 54.840 0.340 0.000 0.807 104 L CB 0.312 42.499 42.059 0.213 0.000 1.192 104 L HN 0.555 nan 8.230 nan 0.000 0.425 105 L N 3.914 125.216 121.223 0.132 0.000 2.334 105 L HA 0.606 4.946 4.340 0.001 0.000 0.272 105 L C 0.326 177.264 176.870 0.113 0.000 1.020 105 L CA -0.712 54.185 54.840 0.094 0.000 0.812 105 L CB 2.029 44.124 42.059 0.061 0.000 1.264 105 L HN 0.629 nan 8.230 nan 0.000 0.439 106 T N -1.258 113.361 114.554 0.109 0.000 2.945 106 T HA 0.645 4.996 4.350 0.001 0.000 0.286 106 T C -0.597 174.163 174.700 0.100 0.000 1.025 106 T CA -0.724 61.427 62.100 0.084 0.000 1.039 106 T CB 1.997 70.896 68.868 0.051 0.000 1.068 106 T HN 0.763 nan 8.240 nan 0.000 0.497 107 E N 0.700 120.943 120.200 0.072 0.000 2.416 107 E HA 0.664 5.014 4.350 0.001 0.000 0.273 107 E C -0.777 175.836 176.600 0.022 0.000 0.935 107 E CA -1.645 54.798 56.400 0.071 0.000 0.784 107 E CB 1.666 31.420 29.700 0.091 0.000 1.301 107 E HN 0.851 nan 8.360 nan 0.000 0.454 108 A N 1.765 124.594 122.820 0.016 0.000 2.386 108 A HA 0.426 4.746 4.320 0.001 0.000 0.248 108 A C -2.233 175.271 177.584 -0.133 0.000 1.082 108 A CA -1.162 50.844 52.037 -0.051 0.000 0.789 108 A CB -0.484 18.530 19.000 0.024 0.000 1.025 108 A HN 0.482 nan 8.150 nan 0.000 0.490 109 P HA 0.188 nan 4.420 nan 0.000 0.266 109 P C 0.087 177.264 177.300 -0.205 0.000 1.195 109 P CA 0.305 63.203 63.100 -0.337 0.000 0.768 109 P CB 0.135 31.458 31.700 -0.629 0.000 0.838 110 L N -1.779 119.402 121.223 -0.069 0.000 4.001 110 L HA -0.287 4.053 4.340 0.001 0.000 0.413 110 L C 0.523 177.419 176.870 0.043 0.000 1.185 110 L CA -0.005 54.840 54.840 0.009 0.000 0.963 110 L CB -2.005 40.071 42.059 0.028 0.000 1.976 110 L HN 0.508 nan 8.230 nan 0.000 0.939 111 N N 1.658 120.386 118.700 0.046 0.000 2.454 111 N HA 0.236 4.976 4.740 0.001 0.000 0.260 111 N C -2.058 173.515 175.510 0.104 0.000 1.218 111 N CA -0.966 52.134 53.050 0.085 0.000 0.904 111 N CB 0.691 39.236 38.487 0.096 0.000 1.065 111 N HN -0.039 nan 8.380 nan 0.000 0.462 112 P HA -0.016 nan 4.420 nan 0.000 0.266 112 P C 0.490 177.871 177.300 0.135 0.000 1.195 112 P CA -0.041 63.128 63.100 0.115 0.000 0.768 112 P CB 0.561 32.334 31.700 0.122 0.000 0.838 113 K N 2.922 123.393 120.400 0.118 0.000 2.074 113 K HA -0.231 4.089 4.320 0.001 0.000 0.209 113 K C 1.696 178.420 176.600 0.206 0.000 1.048 113 K CA 1.856 58.241 56.287 0.163 0.000 0.926 113 K CB -0.544 31.986 32.500 0.050 0.000 0.713 113 K HN 0.476 nan 8.250 nan 0.000 0.444 114 A N 1.475 124.379 122.820 0.140 0.000 2.015 114 A HA -0.180 4.141 4.320 0.001 0.000 0.219 114 A C 1.963 179.616 177.584 0.115 0.000 1.163 114 A CA 1.528 53.635 52.037 0.116 0.000 0.646 114 A CB -0.651 18.394 19.000 0.075 0.000 0.806 114 A HN 0.473 nan 8.150 nan 0.000 0.448 115 N N 0.104 118.916 118.700 0.187 0.000 2.135 115 N HA -0.167 4.573 4.740 0.001 0.000 0.186 115 N C 1.986 177.669 175.510 0.289 0.000 1.027 115 N CA 1.491 54.726 53.050 0.308 0.000 0.849 115 N CB -0.323 38.381 38.487 0.361 0.000 1.002 115 N HN 0.575 nan 8.380 nan 0.000 0.425 116 R N 0.970 121.602 120.500 0.219 0.000 2.105 116 R HA -0.089 4.251 4.340 0.001 0.000 0.239 116 R C 1.891 178.255 176.300 0.107 0.000 1.135 116 R CA 1.578 57.777 56.100 0.166 0.000 0.967 116 R CB -0.024 30.348 30.300 0.120 0.000 0.861 116 R HN 0.350 nan 8.270 nan 0.000 0.442 117 E N -0.112 120.146 120.200 0.097 0.000 2.110 117 E HA -0.226 4.125 4.350 0.001 0.000 0.193 117 E C 1.856 178.476 176.600 0.033 0.000 0.988 117 E CA 1.226 57.660 56.400 0.056 0.000 0.804 117 E CB 0.039 29.799 29.700 0.100 0.000 0.745 117 E HN 0.098 nan 8.360 nan 0.000 0.458 118 K N 0.934 121.303 120.400 -0.052 0.000 2.097 118 K HA -0.075 4.245 4.320 0.001 0.000 0.205 118 K C 1.906 178.465 176.600 -0.068 0.000 1.050 118 K CA 1.210 57.350 56.287 -0.244 0.000 0.938 118 K CB -0.064 31.950 32.500 -0.810 0.000 0.718 118 K HN 0.038 nan 8.250 nan 0.000 0.442 119 M N -0.188 119.511 119.600 0.166 0.000 2.108 119 M HA -0.189 4.292 4.480 0.001 0.000 0.261 119 M C 1.924 178.260 176.300 0.060 0.000 1.066 119 M CA 2.158 57.651 55.300 0.321 0.000 1.107 119 M CB -0.567 32.247 32.600 0.357 0.000 1.356 119 M HN 0.137 nan 8.290 nan 0.000 0.406 120 T N -0.232 114.339 114.554 0.029 0.000 2.708 120 T HA -0.220 4.130 4.350 0.001 0.000 0.266 120 T C 1.742 176.420 174.700 -0.037 0.000 1.037 120 T CA 1.500 63.578 62.100 -0.035 0.000 1.146 120 T CB -0.325 68.592 68.868 0.082 0.000 0.865 120 T HN 0.471 nan 8.240 nan 0.000 0.435 121 Q N 0.339 120.189 119.800 0.082 0.000 2.061 121 Q HA -0.120 4.220 4.340 0.001 0.000 0.204 121 Q C 2.324 178.358 176.000 0.056 0.000 0.984 121 Q CA 1.529 57.407 55.803 0.126 0.000 0.846 121 Q CB -0.320 28.500 28.738 0.136 0.000 0.902 121 Q HN 0.534 nan 8.270 nan 0.000 0.421 122 I N 0.191 120.807 120.570 0.076 0.000 2.226 122 I HA -0.296 3.875 4.170 0.001 0.000 0.245 122 I C 2.432 178.621 176.117 0.120 0.000 1.100 122 I CA 0.763 62.153 61.300 0.151 0.000 1.374 122 I CB -0.213 38.014 38.000 0.379 0.000 1.057 122 I HN 0.347 nan 8.210 nan 0.000 0.413 123 M N -0.352 119.219 119.600 -0.049 0.000 2.117 123 M HA -0.191 4.289 4.480 0.001 0.000 0.262 123 M C 2.322 178.495 176.300 -0.212 0.000 1.065 123 M CA 2.027 57.229 55.300 -0.164 0.000 1.114 123 M CB -0.975 31.329 32.600 -0.493 0.000 1.361 123 M HN 0.150 nan 8.290 nan 0.000 0.408 124 F N 0.503 120.334 119.950 -0.198 0.000 2.149 124 F HA -0.057 4.471 4.527 0.001 0.000 0.294 124 F C 2.430 178.148 175.800 -0.137 0.000 1.095 124 F CA 1.040 58.870 58.000 -0.285 0.000 1.276 124 F CB -0.625 37.916 39.000 -0.766 0.000 1.023 124 F HN 0.248 nan 8.300 nan 0.000 0.480 125 E N -1.086 119.164 120.200 0.084 0.000 2.190 125 E HA -0.054 4.297 4.350 0.001 0.000 0.191 125 E C 1.893 178.499 176.600 0.009 0.000 0.978 125 E CA 1.399 57.846 56.400 0.079 0.000 0.839 125 E CB -0.125 29.639 29.700 0.106 0.000 0.787 125 E HN 0.265 nan 8.360 nan 0.000 0.473 126 T N 0.046 114.567 114.554 -0.055 0.000 2.953 126 T HA 0.038 4.389 4.350 0.001 0.000 0.247 126 T C 1.092 175.580 174.700 -0.354 0.000 1.029 126 T CA 0.599 62.547 62.100 -0.254 0.000 1.144 126 T CB -0.015 68.598 68.868 -0.424 0.000 0.870 126 T HN 0.030 nan 8.240 nan 0.000 0.446 127 F N 1.286 121.272 119.950 0.060 0.000 2.721 127 F HA 0.400 4.927 4.527 0.001 0.000 0.301 127 F C 1.217 176.981 175.800 -0.060 0.000 1.096 127 F CA -0.554 57.451 58.000 0.009 0.000 1.308 127 F CB -0.491 38.468 39.000 -0.069 0.000 1.086 127 F HN 0.150 nan 8.300 nan 0.000 0.587 128 N N 1.537 120.294 118.700 0.096 0.000 2.727 128 N HA -0.184 4.556 4.740 0.001 0.000 0.249 128 N C -0.176 175.357 175.510 0.038 0.000 1.048 128 N CA 0.111 53.209 53.050 0.080 0.000 0.714 128 N CB -0.689 37.837 38.487 0.064 0.000 0.959 128 N HN 0.147 nan 8.380 nan 0.000 0.544 129 V N -1.609 118.286 119.914 -0.031 0.000 2.872 129 V HA 0.196 4.316 4.120 0.001 0.000 0.307 129 V C -0.748 175.362 176.094 0.027 0.000 1.072 129 V CA -0.502 61.729 62.300 -0.115 0.000 1.148 129 V CB 0.980 32.625 31.823 -0.297 0.000 0.954 129 V HN 0.084 nan 8.190 nan 0.000 0.490 130 P HA 0.228 nan 4.420 nan 0.000 0.225 130 P C 0.286 177.636 177.300 0.084 0.000 1.156 130 P CA 1.535 64.643 63.100 0.013 0.000 0.787 130 P CB 0.354 32.000 31.700 -0.091 0.000 0.802 131 A N -0.776 122.041 122.820 -0.005 0.000 2.599 131 A HA 0.726 5.047 4.320 0.001 0.000 0.294 131 A C -1.051 176.468 177.584 -0.108 0.000 1.055 131 A CA -0.565 51.489 52.037 0.028 0.000 0.683 131 A CB 0.951 19.823 19.000 -0.213 0.000 1.278 131 A HN 0.078 nan 8.150 nan 0.000 0.412 132 M N -0.018 119.671 119.600 0.148 0.000 2.813 132 M HA 0.910 5.391 4.480 0.001 0.000 0.270 132 M C -1.206 175.440 176.300 0.577 0.000 1.267 132 M CA -0.635 54.800 55.300 0.225 0.000 0.822 132 M CB 1.277 33.736 32.600 -0.235 0.000 1.671 132 M HN 1.254 nan 8.290 nan 0.000 0.468 133 Y N -0.535 119.980 120.300 0.358 0.000 2.592 133 Y HA 0.797 5.347 4.550 0.001 0.000 0.334 133 Y C -2.154 173.838 175.900 0.154 0.000 1.136 133 Y CA -0.925 57.321 58.100 0.244 0.000 1.042 133 Y CB 2.030 40.636 38.460 0.243 0.000 1.325 133 Y HN 0.762 nan 8.280 nan 0.000 0.457 134 V N 3.958 123.753 119.914 -0.198 0.000 2.483 134 V HA 0.894 5.014 4.120 0.001 0.000 0.297 134 V C -0.559 175.512 176.094 -0.038 0.000 1.027 134 V CA -0.386 61.892 62.300 -0.037 0.000 0.855 134 V CB 1.095 32.892 31.823 -0.044 0.000 0.995 134 V HN 0.891 nan 8.190 nan 0.000 0.424 135 A N 5.062 127.988 122.820 0.177 0.000 2.374 135 A HA 0.886 5.206 4.320 0.001 0.000 0.317 135 A C -0.570 177.066 177.584 0.086 0.000 1.094 135 A CA -0.750 51.418 52.037 0.217 0.000 0.765 135 A CB 0.974 20.122 19.000 0.247 0.000 1.268 135 A HN 0.792 nan 8.150 nan 0.000 0.438 136 I N 2.182 122.782 120.570 0.050 0.000 2.533 136 I HA -0.014 4.157 4.170 0.001 0.000 0.284 136 I C 1.426 177.495 176.117 -0.079 0.000 1.109 136 I CA 0.090 61.378 61.300 -0.021 0.000 1.412 136 I CB 0.968 38.940 38.000 -0.045 0.000 1.396 136 I HN 0.903 nan 8.210 nan 0.000 0.543 137 Q N 4.804 124.565 119.800 -0.064 0.000 2.045 137 Q HA -0.261 4.079 4.340 0.001 0.000 0.206 137 Q C 2.290 178.227 176.000 -0.105 0.000 0.991 137 Q CA 2.318 58.082 55.803 -0.065 0.000 0.851 137 Q CB -0.208 28.514 28.738 -0.026 0.000 0.911 137 Q HN 0.912 nan 8.270 nan 0.000 0.418 138 A N 0.160 122.910 122.820 -0.116 0.000 1.972 138 A HA -0.150 4.171 4.320 0.001 0.000 0.219 138 A C 2.335 179.796 177.584 -0.206 0.000 1.169 138 A CA 1.414 53.377 52.037 -0.124 0.000 0.635 138 A CB -0.683 18.253 19.000 -0.108 0.000 0.810 138 A HN 0.232 nan 8.150 nan 0.000 0.446 139 V N 0.184 119.929 119.914 -0.281 0.000 2.295 139 V HA -0.267 3.854 4.120 0.001 0.000 0.246 139 V C 2.544 178.163 176.094 -0.791 0.000 1.049 139 V CA 1.929 63.922 62.300 -0.513 0.000 1.024 139 V CB -0.799 30.731 31.823 -0.489 0.000 0.648 139 V HN 0.588 nan 8.190 nan 0.000 0.447 140 L N -0.171 120.743 121.223 -0.515 0.000 2.042 140 L HA -0.186 4.155 4.340 0.001 0.000 0.210 140 L C 2.640 179.381 176.870 -0.215 0.000 1.076 140 L CA 1.719 56.339 54.840 -0.368 0.000 0.749 140 L CB -0.713 41.234 42.059 -0.187 0.000 0.893 140 L HN 0.317 nan 8.230 nan 0.000 0.432 141 S N 0.089 115.692 115.700 -0.162 0.000 2.368 141 S HA -0.191 4.279 4.470 0.001 0.000 0.225 141 S C 1.868 176.427 174.600 -0.067 0.000 1.030 141 S CA 1.319 59.475 58.200 -0.073 0.000 0.999 141 S CB -0.338 62.835 63.200 -0.044 0.000 0.844 141 S HN 0.257 nan 8.310 nan 0.000 0.459 142 L N 0.824 121.965 121.223 -0.137 0.000 2.046 142 L HA -0.111 4.230 4.340 0.001 0.000 0.208 142 L C 1.970 178.866 176.870 0.043 0.000 1.077 142 L CA 1.779 56.576 54.840 -0.071 0.000 0.747 142 L CB -0.744 41.246 42.059 -0.115 0.000 0.896 142 L HN 0.243 nan 8.230 nan 0.000 0.432 143 Y N -0.064 120.187 120.300 -0.081 0.000 2.207 143 Y HA -0.130 4.420 4.550 0.001 0.000 0.287 143 Y C 2.608 178.464 175.900 -0.073 0.000 1.156 143 Y CA 0.594 58.637 58.100 -0.095 0.000 1.182 143 Y CB -1.624 36.754 38.460 -0.136 0.000 0.979 143 Y HN 0.314 nan 8.280 nan 0.000 0.521 144 A N -0.409 122.471 122.820 0.101 0.000 2.121 144 A HA -0.115 4.205 4.320 0.001 0.000 0.218 144 A C 2.284 179.897 177.584 0.049 0.000 1.154 144 A CA 1.567 53.637 52.037 0.056 0.000 0.679 144 A CB -0.833 18.197 19.000 0.050 0.000 0.795 144 A HN 0.435 nan 8.150 nan 0.000 0.458 145 S N -1.939 113.789 115.700 0.047 0.000 2.593 145 S HA 0.379 4.850 4.470 0.001 0.000 0.217 145 S C 1.311 175.931 174.600 0.033 0.000 0.966 145 S CA 1.002 59.225 58.200 0.038 0.000 0.914 145 S CB -0.313 62.907 63.200 0.032 0.000 0.776 145 S HN 1.870 nan 8.310 nan 0.000 0.523 146 G N 0.915 109.736 108.800 0.035 0.000 2.136 146 G HA2 -0.229 3.731 3.960 0.001 0.000 0.242 146 G HA3 -0.229 3.731 3.960 0.001 0.000 0.242 146 G C -0.020 174.888 174.900 0.013 0.000 0.989 146 G CA -0.072 45.036 45.100 0.014 0.000 0.682 146 G HN 0.616 nan 8.290 nan 0.000 0.522 147 R N -0.857 119.669 120.500 0.043 0.000 2.803 147 R HA 0.671 5.012 4.340 0.001 0.000 0.276 147 R C 1.265 177.616 176.300 0.085 0.000 0.978 147 R CA -0.054 56.070 56.100 0.041 0.000 0.939 147 R CB 1.243 31.567 30.300 0.039 0.000 1.179 147 R HN 0.257 nan 8.270 nan 0.000 0.472 148 T N -3.345 111.232 114.554 0.037 0.000 3.010 148 T HA 0.145 4.496 4.350 0.001 0.000 0.257 148 T C 0.425 175.134 174.700 0.014 0.000 1.020 148 T CA 0.016 62.148 62.100 0.052 0.000 0.938 148 T CB 0.543 69.384 68.868 -0.044 0.000 1.049 148 T HN 0.379 nan 8.240 nan 0.000 0.522 149 T N 1.239 115.796 114.554 0.005 0.000 2.848 149 T HA 0.732 5.082 4.350 0.001 0.000 0.285 149 T C -0.130 174.595 174.700 0.041 0.000 0.995 149 T CA -0.228 61.887 62.100 0.025 0.000 0.970 149 T CB 1.621 70.500 68.868 0.018 0.000 0.976 149 T HN 0.689 nan 8.240 nan 0.000 0.441 150 G N 1.571 110.396 108.800 0.042 0.000 2.324 150 G HA2 0.443 4.404 3.960 0.001 0.000 0.293 150 G HA3 0.443 4.404 3.960 0.001 0.000 0.293 150 G C -2.160 172.739 174.900 -0.002 0.000 1.297 150 G CA -0.815 44.300 45.100 0.023 0.000 0.853 150 G HN 0.836 nan 8.290 nan 0.000 0.535 151 I N 0.653 121.215 120.570 -0.014 0.000 2.418 151 I HA 0.647 4.817 4.170 0.001 0.000 0.287 151 I C -0.661 175.444 176.117 -0.020 0.000 1.008 151 I CA -1.035 60.245 61.300 -0.033 0.000 1.104 151 I CB 1.609 39.573 38.000 -0.060 0.000 1.264 151 I HN 0.344 nan 8.210 nan 0.000 0.438 152 V N 7.855 127.751 119.914 -0.030 0.000 2.439 152 V HA 0.283 4.404 4.120 0.001 0.000 0.282 152 V C -0.185 175.905 176.094 -0.005 0.000 1.039 152 V CA -0.625 61.663 62.300 -0.020 0.000 0.913 152 V CB 1.570 33.368 31.823 -0.041 0.000 0.983 152 V HN 0.553 nan 8.190 nan 0.000 0.460 153 L N 4.655 125.883 121.223 0.008 0.000 2.262 153 L HA 0.584 4.924 4.340 0.001 0.000 0.288 153 L C -0.571 176.310 176.870 0.017 0.000 1.035 153 L CA 0.249 55.097 54.840 0.013 0.000 0.820 153 L CB 0.981 43.050 42.059 0.016 0.000 1.204 153 L HN 0.636 nan 8.230 nan 0.000 0.424 154 D N 2.859 123.276 120.400 0.029 0.000 2.381 154 D HA 0.452 5.093 4.640 0.001 0.000 0.235 154 D C -1.322 174.998 176.300 0.033 0.000 1.068 154 D CA 0.125 54.147 54.000 0.036 0.000 0.832 154 D CB 1.560 42.390 40.800 0.049 0.000 1.101 154 D HN 0.418 nan 8.370 nan 0.000 0.515 155 S N 2.334 118.045 115.700 0.017 0.000 2.733 155 S HA 0.753 5.223 4.470 0.001 0.000 0.294 155 S C 0.055 174.659 174.600 0.006 0.000 1.149 155 S CA -0.410 57.790 58.200 -0.000 0.000 1.034 155 S CB 0.850 64.045 63.200 -0.009 0.000 1.015 155 S HN 0.505 nan 8.310 nan 0.000 0.486 156 G N 2.581 111.381 108.800 0.000 0.000 3.341 156 G HA2 0.275 4.235 3.960 0.001 0.000 0.177 156 G HA3 0.275 4.235 3.960 0.001 0.000 0.177 156 G C 0.102 174.996 174.900 -0.010 0.000 1.236 156 G CA -0.086 45.014 45.100 0.000 0.000 0.888 156 G HN 0.606 nan 8.290 nan 0.000 0.644 157 D N -1.392 119.000 120.400 -0.014 0.000 2.271 157 D HA 0.156 4.796 4.640 0.001 0.000 0.206 157 D C 2.077 178.349 176.300 -0.047 0.000 0.967 157 D CA 1.431 55.416 54.000 -0.025 0.000 0.867 157 D CB 0.144 40.935 40.800 -0.016 0.000 0.960 157 D HN 0.357 nan 8.370 nan 0.000 0.509 158 G N -0.758 108.014 108.800 -0.046 0.000 2.728 158 G HA2 0.322 4.283 3.960 0.001 0.000 0.203 158 G HA3 0.322 4.283 3.960 0.001 0.000 0.203 158 G C -0.108 174.747 174.900 -0.075 0.000 1.073 158 G CA 0.169 45.230 45.100 -0.065 0.000 0.778 158 G HN 0.189 nan 8.290 nan 0.000 0.553 159 V N -0.035 119.835 119.914 -0.073 0.000 3.178 159 V HA 0.720 4.840 4.120 0.001 0.000 0.302 159 V C -1.501 174.504 176.094 -0.148 0.000 1.262 159 V CA -0.418 61.799 62.300 -0.137 0.000 1.030 159 V CB 2.367 34.104 31.823 -0.143 0.000 1.074 159 V HN 0.042 nan 8.190 nan 0.000 0.438 160 T N 3.383 117.785 114.554 -0.253 0.000 2.848 160 T HA 0.712 5.062 4.350 0.001 0.000 0.285 160 T C -1.348 173.151 174.700 -0.334 0.000 0.995 160 T CA -0.229 61.751 62.100 -0.200 0.000 0.970 160 T CB 1.005 69.781 68.868 -0.154 0.000 0.976 160 T HN 0.805 nan 8.240 nan 0.000 0.441 161 H N 1.292 120.334 119.070 -0.047 0.000 2.747 161 H HA 0.519 5.076 4.556 0.001 0.000 0.371 161 H C -0.575 174.722 175.328 -0.052 0.000 1.161 161 H CA -0.883 55.136 56.048 -0.048 0.000 1.167 161 H CB 1.308 31.045 29.762 -0.041 0.000 1.732 161 H HN 0.491 nan 8.280 nan 0.000 0.544 162 N N 0.935 119.687 118.700 0.086 0.000 2.417 162 N HA 0.463 5.204 4.740 0.001 0.000 0.274 162 N C -1.510 173.997 175.510 -0.004 0.000 0.987 162 N CA -0.572 52.488 53.050 0.017 0.000 0.912 162 N CB 2.151 40.626 38.487 -0.019 0.000 1.177 162 N HN 0.141 nan 8.380 nan 0.000 0.490 163 V N 3.077 122.972 119.914 -0.031 0.000 2.398 163 V HA 0.445 4.565 4.120 0.001 0.000 0.282 163 V C -2.328 173.722 176.094 -0.074 0.000 1.014 163 V CA -1.635 60.625 62.300 -0.066 0.000 0.838 163 V CB 1.403 33.175 31.823 -0.085 0.000 1.018 163 V HN 0.591 nan 8.190 nan 0.000 0.432 164 P HA 0.554 nan 4.420 nan 0.000 0.280 164 P C -0.800 176.474 177.300 -0.045 0.000 1.244 164 P CA -0.174 62.881 63.100 -0.074 0.000 0.784 164 P CB 1.431 33.064 31.700 -0.111 0.000 0.913 165 I N 3.031 123.600 120.570 -0.002 0.000 2.569 165 I HA 0.338 4.508 4.170 0.001 0.000 0.290 165 I C -1.097 175.099 176.117 0.133 0.000 1.088 165 I CA -0.890 60.427 61.300 0.029 0.000 1.047 165 I CB 2.211 40.187 38.000 -0.040 0.000 1.237 165 I HN 0.266 nan 8.210 nan 0.000 0.421 166 Y N 5.153 125.468 120.300 0.024 0.000 2.338 166 Y HA 0.317 4.868 4.550 0.001 0.000 0.333 166 Y C 0.346 176.310 175.900 0.108 0.000 0.968 166 Y CA -0.801 57.329 58.100 0.051 0.000 1.123 166 Y CB 1.147 39.633 38.460 0.044 0.000 1.165 166 Y HN 0.717 nan 8.280 nan 0.000 0.452 167 E N 4.077 124.055 120.200 -0.369 0.000 2.440 167 E HA -0.284 4.066 4.350 0.001 0.000 0.246 167 E C 0.973 177.576 176.600 0.004 0.000 1.165 167 E CA 0.996 57.239 56.400 -0.263 0.000 0.726 167 E CB -1.360 28.101 29.700 -0.399 0.000 1.271 167 E HN 1.243 nan 8.360 nan 0.000 0.397 168 G N -1.289 107.498 108.800 -0.023 0.000 2.195 168 G HA2 -0.306 3.655 3.960 0.001 0.000 0.224 168 G HA3 -0.306 3.655 3.960 0.001 0.000 0.224 168 G C -0.316 174.339 174.900 -0.407 0.000 0.990 168 G CA 0.139 45.160 45.100 -0.132 0.000 0.639 168 G HN 0.244 nan 8.290 nan 0.000 0.514 169 Y N 1.040 121.306 120.300 -0.057 0.000 2.376 169 Y HA 0.723 5.273 4.550 0.001 0.000 0.340 169 Y C 0.670 176.490 175.900 -0.134 0.000 0.965 169 Y CA -0.552 57.435 58.100 -0.188 0.000 1.078 169 Y CB 1.801 40.126 38.460 -0.226 0.000 1.193 169 Y HN 0.464 nan 8.280 nan 0.000 0.452 170 A N 3.600 126.373 122.820 -0.078 0.000 2.466 170 A HA 0.404 4.724 4.320 0.001 0.000 0.238 170 A C -0.466 177.117 177.584 -0.001 0.000 1.074 170 A CA -0.219 51.785 52.037 -0.055 0.000 0.774 170 A CB 0.047 18.993 19.000 -0.090 0.000 1.015 170 A HN 0.831 nan 8.150 nan 0.000 0.498 171 L N 3.645 124.858 121.223 -0.017 0.000 2.360 171 L HA 0.265 4.606 4.340 0.001 0.000 0.265 171 L C -1.535 175.292 176.870 -0.071 0.000 1.066 171 L CA -1.573 53.263 54.840 -0.007 0.000 0.929 171 L CB 1.329 43.355 42.059 -0.055 0.000 1.306 171 L HN 0.562 nan 8.230 nan 0.000 0.434 172 P HA -0.190 nan 4.420 nan 0.000 0.218 172 P C 1.241 178.535 177.300 -0.010 0.000 1.148 172 P CA 1.449 64.555 63.100 0.011 0.000 0.822 172 P CB -0.047 31.697 31.700 0.073 0.000 0.784 173 H N -0.897 118.172 119.070 -0.001 0.000 2.518 173 H HA 0.193 4.749 4.556 0.001 0.000 0.289 173 H C 1.433 176.749 175.328 -0.020 0.000 1.051 173 H CA 1.294 57.337 56.048 -0.009 0.000 1.280 173 H CB -0.772 28.982 29.762 -0.014 0.000 1.380 173 H HN 0.091 nan 8.280 nan 0.000 0.566 174 A N 0.906 123.333 122.820 -0.655 0.000 2.348 174 A HA 0.288 4.609 4.320 0.001 0.000 0.224 174 A C 0.571 178.022 177.584 -0.222 0.000 1.227 174 A CA -0.514 51.241 52.037 -0.470 0.000 0.885 174 A CB -0.153 18.483 19.000 -0.607 0.000 0.933 174 A HN 0.325 nan 8.150 nan 0.000 0.506 175 I N 1.875 122.355 120.570 -0.151 0.000 2.648 175 I HA 0.095 4.266 4.170 0.001 0.000 0.284 175 I C -0.032 176.071 176.117 -0.024 0.000 1.153 175 I CA 0.394 61.653 61.300 -0.069 0.000 1.426 175 I CB 0.732 38.704 38.000 -0.046 0.000 1.381 175 I HN 0.223 nan 8.210 nan 0.000 0.571 176 M N 6.587 126.191 119.600 0.007 0.000 2.528 176 M HA 0.502 4.982 4.480 0.001 0.000 0.321 176 M C -0.513 175.822 176.300 0.059 0.000 1.153 176 M CA -0.557 54.749 55.300 0.010 0.000 0.951 176 M CB 1.903 34.484 32.600 -0.032 0.000 1.705 176 M HN 0.519 nan 8.290 nan 0.000 0.451 177 R N 1.957 122.456 120.500 -0.001 0.000 2.621 177 R HA 0.758 5.098 4.340 0.001 0.000 0.292 177 R C -2.091 174.109 176.300 -0.166 0.000 0.969 177 R CA -0.713 55.306 56.100 -0.136 0.000 0.887 177 R CB 1.880 32.136 30.300 -0.073 0.000 1.180 177 R HN 0.634 nan 8.270 nan 0.000 0.450 178 L N 3.616 124.697 121.223 -0.236 0.000 2.376 178 L HA 0.423 4.764 4.340 0.001 0.000 0.275 178 L C -1.199 175.555 176.870 -0.193 0.000 0.987 178 L CA -0.258 54.475 54.840 -0.179 0.000 0.828 178 L CB 1.950 43.911 42.059 -0.163 0.000 1.249 178 L HN 0.625 nan 8.230 nan 0.000 0.409 179 D N 6.185 126.497 120.400 -0.147 0.000 2.845 179 D HA 0.273 4.913 4.640 0.001 0.000 0.235 179 D C -0.790 175.441 176.300 -0.115 0.000 1.158 179 D CA 0.702 54.626 54.000 -0.128 0.000 0.990 179 D CB -0.043 40.700 40.800 -0.095 0.000 1.094 179 D HN 0.414 nan 8.370 nan 0.000 0.486 180 L N 0.498 121.645 121.223 -0.127 0.000 2.528 180 L HA 0.641 4.982 4.340 0.001 0.000 0.267 180 L C -1.067 175.739 176.870 -0.108 0.000 0.961 180 L CA -0.262 54.508 54.840 -0.116 0.000 0.866 180 L CB 1.294 43.274 42.059 -0.132 0.000 1.248 180 L HN 0.187 nan 8.230 nan 0.000 0.404 181 A N 2.814 125.586 122.820 -0.080 0.000 3.865 181 A HA 0.645 4.966 4.320 0.001 0.000 0.284 181 A C 0.783 178.355 177.584 -0.018 0.000 1.105 181 A CA 0.233 52.239 52.037 -0.051 0.000 0.605 181 A CB -0.124 18.842 19.000 -0.057 0.000 1.594 181 A HN 0.697 nan 8.150 nan 0.000 0.741 182 G N -0.400 108.399 108.800 -0.002 0.000 2.422 182 G HA2 -0.153 3.807 3.960 0.001 0.000 0.218 182 G HA3 -0.153 3.807 3.960 0.001 0.000 0.218 182 G C 1.434 176.335 174.900 0.002 0.000 1.146 182 G CA 1.411 46.525 45.100 0.023 0.000 0.769 182 G HN 0.735 nan 8.290 nan 0.000 0.547 183 R N 0.454 120.934 120.500 -0.034 0.000 2.092 183 R HA -0.061 4.279 4.340 0.001 0.000 0.231 183 R C 1.913 178.190 176.300 -0.038 0.000 1.119 183 R CA 1.564 57.631 56.100 -0.055 0.000 0.970 183 R CB -0.208 30.024 30.300 -0.113 0.000 0.864 183 R HN 0.268 nan 8.270 nan 0.000 0.440 184 D N 0.518 120.896 120.400 -0.036 0.000 2.178 184 D HA -0.151 4.489 4.640 0.001 0.000 0.202 184 D C 1.946 178.262 176.300 0.027 0.000 0.974 184 D CA 1.026 55.012 54.000 -0.024 0.000 0.841 184 D CB 0.039 40.806 40.800 -0.054 0.000 0.953 184 D HN 0.332 nan 8.370 nan 0.000 0.478 185 L N 0.734 121.982 121.223 0.042 0.000 2.072 185 L HA -0.105 4.235 4.340 0.001 0.000 0.205 185 L C 2.603 179.528 176.870 0.092 0.000 1.079 185 L CA 0.978 55.879 54.840 0.101 0.000 0.752 185 L CB -0.742 41.386 42.059 0.114 0.000 0.906 185 L HN -0.032 nan 8.230 nan 0.000 0.436 186 T N -0.724 113.854 114.554 0.040 0.000 2.746 186 T HA -0.180 4.171 4.350 0.001 0.000 0.267 186 T C 1.444 176.139 174.700 -0.007 0.000 1.039 186 T CA 1.561 63.656 62.100 -0.008 0.000 1.142 186 T CB -0.236 68.615 68.868 -0.028 0.000 0.866 186 T HN 0.293 nan 8.240 nan 0.000 0.444 187 D N -0.051 120.361 120.400 0.020 0.000 2.117 187 D HA -0.069 4.572 4.640 0.001 0.000 0.197 187 D C 1.713 178.070 176.300 0.095 0.000 0.987 187 D CA 0.839 54.860 54.000 0.034 0.000 0.829 187 D CB -0.390 40.425 40.800 0.026 0.000 0.961 187 D HN 0.354 nan 8.370 nan 0.000 0.460 188 Y N 1.177 121.458 120.300 -0.030 0.000 2.145 188 Y HA -0.133 4.418 4.550 0.001 0.000 0.286 188 Y C 2.107 177.988 175.900 -0.031 0.000 1.145 188 Y CA 0.766 58.853 58.100 -0.021 0.000 1.148 188 Y CB -0.670 37.783 38.460 -0.010 0.000 0.981 188 Y HN -0.072 nan 8.280 nan 0.000 0.507 189 L N -0.043 121.121 121.223 -0.097 0.000 2.083 189 L HA -0.215 4.126 4.340 0.001 0.000 0.209 189 L C 2.458 179.224 176.870 -0.174 0.000 1.083 189 L CA 1.835 56.545 54.840 -0.215 0.000 0.752 189 L CB -0.751 41.205 42.059 -0.172 0.000 0.899 189 L HN 0.337 nan 8.230 nan 0.000 0.433 190 M N -0.932 118.601 119.600 -0.111 0.000 2.117 190 M HA -0.261 4.219 4.480 0.001 0.000 0.262 190 M C 2.355 178.666 176.300 0.019 0.000 1.065 190 M CA 1.895 57.158 55.300 -0.062 0.000 1.114 190 M CB -0.173 32.417 32.600 -0.017 0.000 1.361 190 M HN 0.273 nan 8.290 nan 0.000 0.408 191 K N 0.698 121.103 120.400 0.009 0.000 2.026 191 K HA -0.173 4.147 4.320 0.001 0.000 0.208 191 K C 1.669 178.261 176.600 -0.013 0.000 1.048 191 K CA 1.570 57.874 56.287 0.028 0.000 0.929 191 K CB -0.250 32.295 32.500 0.075 0.000 0.713 191 K HN 0.330 nan 8.250 nan 0.000 0.439 192 I N 1.302 121.800 120.570 -0.120 0.000 2.163 192 I HA -0.320 3.851 4.170 0.001 0.000 0.243 192 I C 2.241 178.344 176.117 -0.023 0.000 1.085 192 I CA 1.265 62.477 61.300 -0.146 0.000 1.347 192 I CB -0.177 37.632 38.000 -0.318 0.000 1.044 192 I HN 0.216 nan 8.210 nan 0.000 0.408 193 L N -0.428 120.813 121.223 0.029 0.000 2.156 193 L HA -0.135 4.206 4.340 0.001 0.000 0.208 193 L C 2.548 179.597 176.870 0.300 0.000 1.095 193 L CA 1.154 56.114 54.840 0.201 0.000 0.770 193 L CB -0.814 41.362 42.059 0.196 0.000 0.914 193 L HN 0.221 nan 8.230 nan 0.000 0.439 194 T N -0.547 114.139 114.554 0.220 0.000 2.788 194 T HA -0.172 4.178 4.350 0.001 0.000 0.268 194 T C 1.710 176.457 174.700 0.078 0.000 1.044 194 T CA 1.265 63.462 62.100 0.162 0.000 1.139 194 T CB -0.103 68.841 68.868 0.126 0.000 0.867 194 T HN 0.390 nan 8.240 nan 0.000 0.454 195 E N 0.598 120.831 120.200 0.054 0.000 2.150 195 E HA -0.003 4.347 4.350 0.001 0.000 0.193 195 E C 2.299 178.902 176.600 0.005 0.000 0.985 195 E CA 0.540 56.951 56.400 0.017 0.000 0.814 195 E CB -0.026 29.676 29.700 0.004 0.000 0.752 195 E HN 0.303 nan 8.360 nan 0.000 0.466 196 R N -0.552 119.969 120.500 0.036 0.000 2.323 196 R HA -0.001 4.340 4.340 0.001 0.000 0.198 196 R C 0.812 177.043 176.300 -0.114 0.000 0.988 196 R CA 0.631 56.737 56.100 0.010 0.000 1.041 196 R CB 0.434 30.794 30.300 0.101 0.000 0.926 196 R HN 0.270 nan 8.270 nan 0.000 0.476 197 G N -0.757 107.971 108.800 -0.121 0.000 2.159 197 G HA2 -0.232 3.729 3.960 0.001 0.000 0.170 197 G HA3 -0.232 3.729 3.960 0.001 0.000 0.170 197 G C -0.355 174.335 174.900 -0.350 0.000 1.007 197 G CA -0.665 44.291 45.100 -0.239 0.000 0.672 197 G HN 0.226 nan 8.290 nan 0.000 0.507 198 Y N 1.241 121.512 120.300 -0.049 0.000 2.376 198 Y HA 0.572 5.122 4.550 0.001 0.000 0.325 198 Y C 1.029 176.766 175.900 -0.272 0.000 1.199 198 Y CA -0.097 57.898 58.100 -0.176 0.000 1.206 198 Y CB 1.787 40.175 38.460 -0.120 0.000 1.229 198 Y HN 0.303 nan 8.280 nan 0.000 0.480 199 S N 2.481 117.999 115.700 -0.303 0.000 2.423 199 S HA 0.576 5.046 4.470 0.001 0.000 0.317 199 S C -1.201 173.108 174.600 -0.484 0.000 1.065 199 S CA -0.487 57.549 58.200 -0.273 0.000 1.111 199 S CB -0.824 62.272 63.200 -0.174 0.000 0.968 199 S HN 0.529 nan 8.310 nan 0.000 0.474 200 F N 3.222 123.205 119.950 0.056 0.000 2.771 200 F HA 0.412 4.940 4.527 0.001 0.000 0.365 200 F C 0.448 176.261 175.800 0.023 0.000 1.169 200 F CA -0.822 57.198 58.000 0.032 0.000 1.093 200 F CB 1.753 40.763 39.000 0.018 0.000 1.363 200 F HN 0.459 nan 8.300 nan 0.000 0.496 201 V N -1.295 118.726 119.914 0.177 0.000 3.177 201 V HA 0.026 4.146 4.120 0.001 0.000 0.219 201 V C 1.076 177.223 176.094 0.089 0.000 1.344 201 V CA 0.456 62.820 62.300 0.106 0.000 1.324 201 V CB 0.200 32.062 31.823 0.064 0.000 1.165 201 V HN 0.611 nan 8.190 nan 0.000 0.510 202 T N 0.261 114.866 114.554 0.085 0.000 2.680 202 T HA 0.059 4.409 4.350 0.001 0.000 0.314 202 T C 1.423 176.168 174.700 0.075 0.000 1.045 202 T CA 0.794 62.935 62.100 0.069 0.000 1.025 202 T CB 0.719 69.622 68.868 0.058 0.000 1.000 202 T HN 0.567 nan 8.240 nan 0.000 0.535 203 T N -1.875 112.717 114.554 0.063 0.000 2.951 203 T HA 0.082 4.433 4.350 0.001 0.000 0.268 203 T C 2.257 176.994 174.700 0.062 0.000 1.073 203 T CA 0.619 62.758 62.100 0.065 0.000 1.134 203 T CB -0.760 68.147 68.868 0.065 0.000 0.884 203 T HN 0.801 nan 8.240 nan 0.000 0.479 204 A N 1.930 124.786 122.820 0.061 0.000 1.930 204 A HA -0.011 4.310 4.320 0.001 0.000 0.217 204 A C 2.261 179.901 177.584 0.093 0.000 1.175 204 A CA 1.429 53.505 52.037 0.065 0.000 0.627 204 A CB -0.626 18.408 19.000 0.058 0.000 0.815 204 A HN 0.581 nan 8.150 nan 0.000 0.443 205 E N -0.735 119.542 120.200 0.128 0.000 2.150 205 E HA -0.160 4.191 4.350 0.001 0.000 0.193 205 E C 2.202 178.872 176.600 0.118 0.000 0.985 205 E CA 1.034 57.569 56.400 0.225 0.000 0.814 205 E CB -0.127 29.763 29.700 0.317 0.000 0.752 205 E HN 0.638 nan 8.360 nan 0.000 0.466 206 R N 1.099 121.639 120.500 0.067 0.000 2.081 206 R HA -0.166 4.174 4.340 0.001 0.000 0.235 206 R C 1.720 178.003 176.300 -0.028 0.000 1.131 206 R CA 1.339 57.441 56.100 0.003 0.000 0.960 206 R CB 0.035 30.351 30.300 0.027 0.000 0.856 206 R HN 0.073 nan 8.270 nan 0.000 0.436 207 E N 0.669 120.875 120.200 0.009 0.000 2.110 207 E HA -0.182 4.169 4.350 0.001 0.000 0.193 207 E C 2.086 178.675 176.600 -0.018 0.000 0.988 207 E CA 1.272 57.675 56.400 0.006 0.000 0.804 207 E CB -0.133 29.586 29.700 0.033 0.000 0.745 207 E HN 0.502 nan 8.360 nan 0.000 0.458 208 I N 0.551 121.112 120.570 -0.016 0.000 2.202 208 I HA -0.227 3.943 4.170 0.001 0.000 0.242 208 I C 2.461 178.420 176.117 -0.262 0.000 1.091 208 I CA 0.732 62.006 61.300 -0.042 0.000 1.368 208 I CB -0.291 37.756 38.000 0.077 0.000 1.058 208 I HN -0.086 nan 8.210 nan 0.000 0.410 209 V N 0.825 120.503 119.914 -0.393 0.000 2.407 209 V HA -0.277 3.844 4.120 0.001 0.000 0.248 209 V C 2.624 178.540 176.094 -0.297 0.000 1.055 209 V CA 1.847 63.845 62.300 -0.503 0.000 1.049 209 V CB -0.825 30.670 31.823 -0.546 0.000 0.662 209 V HN 0.407 nan 8.190 nan 0.000 0.455 210 R N 0.148 120.540 120.500 -0.179 0.000 2.091 210 R HA -0.258 4.082 4.340 0.001 0.000 0.238 210 R C 2.099 178.331 176.300 -0.114 0.000 1.136 210 R CA 2.383 58.417 56.100 -0.110 0.000 0.959 210 R CB -0.411 29.855 30.300 -0.058 0.000 0.856 210 R HN 0.586 nan 8.270 nan 0.000 0.437 211 D N -0.093 120.237 120.400 -0.118 0.000 2.117 211 D HA -0.111 4.530 4.640 0.001 0.000 0.198 211 D C 1.886 178.080 176.300 -0.175 0.000 0.982 211 D CA 1.240 55.196 54.000 -0.074 0.000 0.828 211 D CB 0.016 40.842 40.800 0.044 0.000 0.967 211 D HN 0.290 nan 8.370 nan 0.000 0.464 212 I N 0.330 120.627 120.570 -0.455 0.000 2.163 212 I HA -0.267 3.903 4.170 0.001 0.000 0.243 212 I C 2.491 178.466 176.117 -0.235 0.000 1.085 212 I CA 1.092 62.034 61.300 -0.597 0.000 1.347 212 I CB -0.328 37.212 38.000 -0.765 0.000 1.044 212 I HN 0.056 nan 8.210 nan 0.000 0.408 213 K N 1.274 121.572 120.400 -0.170 0.000 2.020 213 K HA -0.246 4.074 4.320 0.001 0.000 0.212 213 K C 1.942 178.558 176.600 0.025 0.000 1.050 213 K CA 1.937 58.208 56.287 -0.027 0.000 0.929 213 K CB -0.084 32.413 32.500 -0.006 0.000 0.714 213 K HN 0.366 nan 8.250 nan 0.000 0.443 214 E N -0.209 119.965 120.200 -0.043 0.000 2.150 214 E HA -0.125 4.225 4.350 0.001 0.000 0.193 214 E C 1.922 178.511 176.600 -0.019 0.000 0.985 214 E CA 0.775 57.133 56.400 -0.071 0.000 0.814 214 E CB 0.214 29.868 29.700 -0.076 0.000 0.752 214 E HN 0.186 nan 8.360 nan 0.000 0.466 215 K N -0.003 120.407 120.400 0.017 0.000 2.242 215 K HA 0.107 4.428 4.320 0.001 0.000 0.200 215 K C 1.856 178.513 176.600 0.094 0.000 1.050 215 K CA 0.520 56.846 56.287 0.065 0.000 0.981 215 K CB 0.481 33.060 32.500 0.131 0.000 0.795 215 K HN 0.167 nan 8.250 nan 0.000 0.477 216 L N -0.317 120.963 121.223 0.096 0.000 2.749 216 L HA 0.175 4.516 4.340 0.001 0.000 0.242 216 L C 0.500 177.507 176.870 0.228 0.000 1.103 216 L CA -0.225 54.700 54.840 0.141 0.000 0.906 216 L CB 0.637 42.752 42.059 0.093 0.000 1.228 216 L HN -0.082 nan 8.230 nan 0.000 0.517 217 C N 0.737 120.176 119.300 0.232 0.000 2.604 217 C HA 0.408 4.868 4.460 0.001 0.000 0.396 217 C C -0.009 175.268 174.990 0.479 0.000 1.282 217 C CA -0.409 58.788 59.018 0.297 0.000 2.292 217 C CB -0.262 27.657 27.740 0.299 0.000 2.633 217 C HN 0.387 nan 8.230 nan 0.000 0.620 218 Y N -1.302 119.151 120.300 0.254 0.000 2.638 218 Y HA 0.697 5.247 4.550 0.001 0.000 0.335 218 Y C -1.218 174.781 175.900 0.165 0.000 1.155 218 Y CA -1.348 56.896 58.100 0.240 0.000 1.046 218 Y CB 0.416 38.981 38.460 0.176 0.000 1.303 218 Y HN 0.284 nan 8.280 nan 0.000 0.460 219 V N 2.838 122.894 119.914 0.237 0.000 2.407 219 V HA 0.710 4.831 4.120 0.001 0.000 0.278 219 V C 0.497 176.671 176.094 0.133 0.000 1.037 219 V CA -0.314 62.041 62.300 0.092 0.000 0.900 219 V CB 0.701 32.594 31.823 0.117 0.000 0.983 219 V HN 1.029 nan 8.190 nan 0.000 0.459 220 A N 4.096 126.924 122.820 0.012 0.000 2.407 220 A HA 0.419 4.739 4.320 0.001 0.000 0.248 220 A C 0.900 178.441 177.584 -0.071 0.000 1.082 220 A CA -0.251 51.767 52.037 -0.032 0.000 0.785 220 A CB 0.317 19.200 19.000 -0.195 0.000 1.020 220 A HN 0.834 nan 8.150 nan 0.000 0.489 221 L N 0.678 121.861 121.223 -0.066 0.000 2.072 221 L HA 0.065 4.405 4.340 0.001 0.000 0.205 221 L C 0.450 177.249 176.870 -0.119 0.000 1.079 221 L CA 1.956 56.737 54.840 -0.098 0.000 0.752 221 L CB -0.113 41.906 42.059 -0.067 0.000 0.906 221 L HN 0.763 nan 8.230 nan 0.000 0.436 222 D N -1.724 118.616 120.400 -0.099 0.000 2.473 222 D HA 0.016 4.656 4.640 0.001 0.000 0.253 222 D C 0.528 176.794 176.300 -0.057 0.000 1.233 222 D CA -0.429 53.527 54.000 -0.073 0.000 0.908 222 D CB 1.048 41.806 40.800 -0.071 0.000 1.170 222 D HN 0.062 nan 8.370 nan 0.000 0.558 223 F N 3.845 123.721 119.950 -0.123 0.000 2.146 223 F HA -0.053 4.475 4.527 0.001 0.000 0.298 223 F C 2.001 177.809 175.800 0.014 0.000 1.096 223 F CA 1.518 59.489 58.000 -0.049 0.000 1.275 223 F CB 0.253 39.264 39.000 0.018 0.000 1.008 223 F HN 0.471 nan 8.300 nan 0.000 0.480 224 E N 0.010 120.192 120.200 -0.029 0.000 2.058 224 E HA -0.251 4.100 4.350 0.001 0.000 0.194 224 E C 1.955 178.466 176.600 -0.148 0.000 0.997 224 E CA 1.501 57.846 56.400 -0.091 0.000 0.801 224 E CB -0.145 29.566 29.700 0.019 0.000 0.746 224 E HN 0.361 nan 8.360 nan 0.000 0.450 225 N N 0.561 119.186 118.700 -0.125 0.000 2.120 225 N HA -0.184 4.557 4.740 0.001 0.000 0.188 225 N C 1.665 177.065 175.510 -0.184 0.000 1.024 225 N CA 1.154 54.129 53.050 -0.125 0.000 0.852 225 N CB -0.267 38.159 38.487 -0.103 0.000 1.003 225 N HN 0.158 nan 8.380 nan 0.000 0.424 226 E N 0.046 120.060 120.200 -0.310 0.000 2.106 226 E HA 0.012 4.363 4.350 0.001 0.000 0.192 226 E C 1.797 178.221 176.600 -0.293 0.000 0.984 226 E CA 0.761 56.869 56.400 -0.487 0.000 0.806 226 E CB -0.019 29.059 29.700 -1.037 0.000 0.750 226 E HN 0.154 nan 8.360 nan 0.000 0.458 227 M N -0.121 119.342 119.600 -0.229 0.000 2.159 227 M HA -0.102 4.379 4.480 0.001 0.000 0.263 227 M C 2.278 178.562 176.300 -0.028 0.000 1.063 227 M CA 1.597 56.870 55.300 -0.045 0.000 1.110 227 M CB -1.092 31.363 32.600 -0.242 0.000 1.374 227 M HN 0.244 nan 8.290 nan 0.000 0.411 228 A N -0.309 122.469 122.820 -0.070 0.000 1.898 228 A HA -0.117 4.204 4.320 0.001 0.000 0.216 228 A C 2.304 179.875 177.584 -0.021 0.000 1.181 228 A CA 2.103 54.116 52.037 -0.040 0.000 0.620 228 A CB -1.051 17.921 19.000 -0.047 0.000 0.819 228 A HN 0.463 nan 8.150 nan 0.000 0.442 229 T N 0.442 114.976 114.554 -0.033 0.000 2.684 229 T HA -0.080 4.270 4.350 0.001 0.000 0.267 229 T C 2.187 176.905 174.700 0.031 0.000 1.036 229 T CA 1.741 63.833 62.100 -0.012 0.000 1.148 229 T CB -0.447 68.398 68.868 -0.038 0.000 0.863 229 T HN 0.592 nan 8.240 nan 0.000 0.436 230 A N 1.091 123.960 122.820 0.082 0.000 2.015 230 A HA 0.267 4.587 4.320 0.001 0.000 0.219 230 A C 2.505 180.126 177.584 0.063 0.000 1.163 230 A CA 1.561 53.671 52.037 0.123 0.000 0.646 230 A CB -0.777 18.367 19.000 0.241 0.000 0.806 230 A HN 0.505 nan 8.150 nan 0.000 0.448 231 A N -0.121 122.722 122.820 0.038 0.000 2.119 231 A HA 0.094 4.415 4.320 0.001 0.000 0.216 231 A C 2.127 179.719 177.584 0.012 0.000 1.152 231 A CA 1.746 53.793 52.037 0.016 0.000 0.708 231 A CB -0.396 18.607 19.000 0.004 0.000 0.805 231 A HN 0.930 nan 8.150 nan 0.000 0.460 232 S N -1.450 114.258 115.700 0.013 0.000 2.603 232 S HA 0.351 4.821 4.470 0.001 0.000 0.232 232 S C 0.424 175.030 174.600 0.011 0.000 1.016 232 S CA 0.486 58.690 58.200 0.008 0.000 0.976 232 S CB -0.280 62.921 63.200 0.001 0.000 0.921 232 S HN 0.935 nan 8.310 nan 0.000 0.516 233 S N 0.691 116.402 115.700 0.019 0.000 2.615 233 S HA 0.576 5.047 4.470 0.001 0.000 0.269 233 S C 0.037 174.656 174.600 0.032 0.000 1.161 233 S CA -0.042 58.170 58.200 0.021 0.000 0.817 233 S CB 1.078 64.288 63.200 0.016 0.000 1.131 233 S HN 0.447 nan 8.310 nan 0.000 0.467 234 S N -0.221 115.497 115.700 0.030 0.000 2.572 234 S HA 0.126 4.597 4.470 0.001 0.000 0.228 234 S C 1.479 176.105 174.600 0.043 0.000 0.963 234 S CA 0.353 58.576 58.200 0.038 0.000 0.939 234 S CB -0.587 62.631 63.200 0.031 0.000 0.804 234 S HN 1.133 nan 8.310 nan 0.000 0.480 235 S N 1.838 117.561 115.700 0.038 0.000 2.447 235 S HA 0.111 4.581 4.470 0.001 0.000 0.233 235 S C 1.381 176.011 174.600 0.049 0.000 1.006 235 S CA 0.435 58.654 58.200 0.032 0.000 0.957 235 S CB -0.714 62.496 63.200 0.016 0.000 0.773 235 S HN 0.603 nan 8.310 nan 0.000 0.507 236 L N 0.727 122.003 121.223 0.088 0.000 2.640 236 L HA 0.302 4.642 4.340 0.001 0.000 0.230 236 L C 0.197 177.160 176.870 0.155 0.000 1.123 236 L CA -0.113 54.816 54.840 0.148 0.000 0.900 236 L CB -0.125 42.086 42.059 0.254 0.000 1.146 236 L HN 0.178 nan 8.230 nan 0.000 0.484 237 E N 2.046 122.309 120.200 0.105 0.000 2.373 237 E HA 0.269 4.620 4.350 0.001 0.000 0.267 237 E C -0.248 176.403 176.600 0.086 0.000 1.032 237 E CA 0.255 56.710 56.400 0.092 0.000 0.889 237 E CB 1.451 31.191 29.700 0.068 0.000 0.984 237 E HN -0.004 nan 8.360 nan 0.000 0.425 238 K N 1.004 121.460 120.400 0.092 0.000 2.469 238 K HA 0.426 4.747 4.320 0.001 0.000 0.254 238 K C -0.711 175.943 176.600 0.090 0.000 0.939 238 K CA -0.666 55.675 56.287 0.089 0.000 0.812 238 K CB 2.363 34.927 32.500 0.107 0.000 1.301 238 K HN 0.310 nan 8.250 nan 0.000 0.433 239 S N 0.785 116.538 115.700 0.089 0.000 2.621 239 S HA 0.552 5.023 4.470 0.001 0.000 0.302 239 S C -1.503 173.186 174.600 0.149 0.000 1.093 239 S CA -0.590 57.669 58.200 0.099 0.000 1.017 239 S CB 0.989 64.228 63.200 0.065 0.000 1.077 239 S HN 0.518 nan 8.310 nan 0.000 0.517 240 Y N 1.229 121.527 120.300 -0.003 0.000 2.396 240 Y HA 0.350 4.901 4.550 0.001 0.000 0.332 240 Y C -0.679 175.217 175.900 -0.007 0.000 1.034 240 Y CA -0.564 57.530 58.100 -0.010 0.000 1.057 240 Y CB 1.160 39.604 38.460 -0.028 0.000 1.220 240 Y HN 0.692 nan 8.280 nan 0.000 0.440 241 E N 6.827 126.755 120.200 -0.452 0.000 2.129 241 E HA 0.312 4.662 4.350 0.001 0.000 0.283 241 E C -0.879 175.494 176.600 -0.379 0.000 1.080 241 E CA -0.322 55.891 56.400 -0.312 0.000 0.867 241 E CB 0.554 30.097 29.700 -0.263 0.000 1.056 241 E HN 0.750 nan 8.360 nan 0.000 0.404 242 L N 5.665 126.864 121.223 -0.041 0.000 2.474 242 L HA 0.118 4.459 4.340 0.001 0.000 0.259 242 L C -1.385 175.501 176.870 0.027 0.000 1.232 242 L CA -1.472 53.428 54.840 0.101 0.000 0.821 242 L CB 0.096 42.250 42.059 0.159 0.000 1.108 242 L HN 0.573 nan 8.230 nan 0.000 0.495 243 P HA -0.134 nan 4.420 nan 0.000 0.222 243 P C 0.321 177.634 177.300 0.022 0.000 1.147 243 P CA 0.931 64.055 63.100 0.039 0.000 0.790 243 P CB -0.009 31.731 31.700 0.066 0.000 0.780 244 D N -2.178 118.239 120.400 0.029 0.000 2.340 244 D HA 0.128 4.768 4.640 0.001 0.000 0.217 244 D C 1.415 177.721 176.300 0.010 0.000 1.081 244 D CA 0.348 54.359 54.000 0.018 0.000 0.842 244 D CB -0.562 40.252 40.800 0.023 0.000 0.934 244 D HN 0.199 nan 8.370 nan 0.000 0.511 245 G N 0.076 108.876 108.800 0.001 0.000 2.241 245 G HA2 -0.298 3.663 3.960 0.001 0.000 0.244 245 G HA3 -0.298 3.663 3.960 0.001 0.000 0.244 245 G C 0.231 175.133 174.900 0.004 0.000 0.998 245 G CA 0.037 45.132 45.100 -0.008 0.000 0.621 245 G HN 0.461 nan 8.290 nan 0.000 0.519 246 Q N 0.049 119.864 119.800 0.025 0.000 2.421 246 Q HA 0.497 4.838 4.340 0.001 0.000 0.255 246 Q C 0.026 176.058 176.000 0.053 0.000 1.013 246 Q CA 0.121 55.951 55.803 0.046 0.000 0.895 246 Q CB 1.730 30.509 28.738 0.068 0.000 1.271 246 Q HN 0.231 nan 8.270 nan 0.000 0.460 247 V N 3.020 122.974 119.914 0.067 0.000 2.513 247 V HA 0.494 4.614 4.120 0.001 0.000 0.299 247 V C -0.380 175.772 176.094 0.097 0.000 1.035 247 V CA -0.674 61.666 62.300 0.068 0.000 0.889 247 V CB 1.680 33.533 31.823 0.050 0.000 0.988 247 V HN 0.633 nan 8.190 nan 0.000 0.440 248 I N 2.968 123.590 120.570 0.086 0.000 2.474 248 I HA 0.626 4.797 4.170 0.001 0.000 0.294 248 I C -0.347 175.811 176.117 0.069 0.000 1.005 248 I CA 0.167 61.485 61.300 0.030 0.000 1.113 248 I CB 2.186 40.073 38.000 -0.188 0.000 1.289 248 I HN 0.650 nan 8.210 nan 0.000 0.436 249 T N 7.973 122.576 114.554 0.081 0.000 2.824 249 T HA 0.601 4.952 4.350 0.001 0.000 0.282 249 T C -0.491 174.244 174.700 0.059 0.000 0.993 249 T CA -0.372 61.773 62.100 0.075 0.000 0.967 249 T CB 1.166 70.082 68.868 0.079 0.000 0.960 249 T HN 0.497 nan 8.240 nan 0.000 0.441 250 I N -0.704 119.891 120.570 0.042 0.000 2.785 250 I HA 0.966 5.137 4.170 0.001 0.000 0.302 250 I C 0.393 176.534 176.117 0.038 0.000 1.069 250 I CA -0.972 60.339 61.300 0.018 0.000 1.045 250 I CB 2.142 40.126 38.000 -0.026 0.000 1.236 250 I HN 0.691 nan 8.210 nan 0.000 0.429 251 G N 2.645 111.452 108.800 0.013 0.000 2.477 251 G HA2 0.026 3.987 3.960 0.001 0.000 0.197 251 G HA3 0.026 3.987 3.960 0.001 0.000 0.197 251 G C 0.665 175.547 174.900 -0.030 0.000 1.860 251 G CA 0.464 45.595 45.100 0.052 0.000 0.714 251 G HN 0.721 nan 8.290 nan 0.000 0.782 252 N N 1.424 120.028 118.700 -0.160 0.000 2.453 252 N HA -0.011 4.730 4.740 0.001 0.000 0.183 252 N C 1.441 176.501 175.510 -0.750 0.000 1.041 252 N CA 1.579 54.262 53.050 -0.613 0.000 0.900 252 N CB -0.290 37.932 38.487 -0.442 0.000 0.961 252 N HN 0.415 nan 8.380 nan 0.000 0.443 253 E N 0.646 120.623 120.200 -0.371 0.000 2.209 253 E HA -0.073 4.277 4.350 0.001 0.000 0.196 253 E C 1.895 178.328 176.600 -0.279 0.000 0.993 253 E CA 0.906 57.124 56.400 -0.303 0.000 0.819 253 E CB -0.140 29.438 29.700 -0.203 0.000 0.745 253 E HN 0.460 nan 8.360 nan 0.000 0.477 254 R N -0.266 120.099 120.500 -0.226 0.000 2.091 254 R HA -0.148 4.192 4.340 0.001 0.000 0.238 254 R C 1.962 178.136 176.300 -0.211 0.000 1.136 254 R CA 1.827 57.871 56.100 -0.093 0.000 0.959 254 R CB -0.369 30.018 30.300 0.146 0.000 0.856 254 R HN 0.407 nan 8.270 nan 0.000 0.437 255 F N -1.581 118.167 119.950 -0.337 0.000 2.717 255 F HA 0.357 4.885 4.527 0.001 0.000 0.297 255 F C 1.765 177.566 175.800 0.001 0.000 1.113 255 F CA -0.527 57.242 58.000 -0.384 0.000 1.319 255 F CB -0.128 38.474 39.000 -0.663 0.000 1.097 255 F HN -0.327 nan 8.300 nan 0.000 0.595 256 R N 0.285 120.651 120.500 -0.225 0.000 2.120 256 R HA -0.121 4.219 4.340 0.001 0.000 0.234 256 R C 2.373 178.819 176.300 0.243 0.000 1.123 256 R CA 1.425 57.629 56.100 0.174 0.000 0.975 256 R CB -1.015 29.293 30.300 0.012 0.000 0.866 256 R HN 0.585 nan 8.270 nan 0.000 0.446 257 C N 1.651 120.979 119.300 0.047 0.000 2.455 257 C HA 0.001 4.461 4.460 0.001 0.000 0.281 257 C C -0.515 174.507 174.990 0.052 0.000 1.237 257 C CA 0.764 59.851 59.018 0.117 0.000 1.726 257 C CB -0.972 26.753 27.740 -0.025 0.000 2.068 257 C HN 0.299 nan 8.230 nan 0.000 0.466 258 P HA -0.038 nan 4.420 nan 0.000 0.233 258 P C 1.080 178.288 177.300 -0.153 0.000 1.167 258 P CA 1.427 64.307 63.100 -0.367 0.000 0.770 258 P CB -0.302 30.825 31.700 -0.956 0.000 0.837 259 E N 0.663 120.822 120.200 -0.069 0.000 2.209 259 E HA -0.138 4.212 4.350 0.001 0.000 0.196 259 E C 1.645 178.010 176.600 -0.393 0.000 0.993 259 E CA 1.585 57.877 56.400 -0.180 0.000 0.819 259 E CB -1.319 28.159 29.700 -0.369 0.000 0.745 259 E HN 0.107 nan 8.360 nan 0.000 0.477 260 T N 0.864 115.217 114.554 -0.336 0.000 2.760 260 T HA -0.198 4.153 4.350 0.001 0.000 0.269 260 T C 1.712 176.215 174.700 -0.329 0.000 1.047 260 T CA 1.431 63.295 62.100 -0.394 0.000 1.139 260 T CB -0.284 68.451 68.868 -0.221 0.000 0.855 260 T HN 0.190 nan 8.240 nan 0.000 0.471 261 L N -0.586 120.467 121.223 -0.283 0.000 2.083 261 L HA -0.049 4.292 4.340 0.001 0.000 0.209 261 L C 2.087 178.654 176.870 -0.505 0.000 1.083 261 L CA 1.389 55.995 54.840 -0.391 0.000 0.752 261 L CB -0.514 41.255 42.059 -0.482 0.000 0.899 261 L HN 0.263 nan 8.230 nan 0.000 0.433 262 F N -1.001 118.812 119.950 -0.229 0.000 2.569 262 F HA 0.042 4.570 4.527 0.001 0.000 0.295 262 F C 1.128 176.803 175.800 -0.209 0.000 1.115 262 F CA 0.362 58.255 58.000 -0.179 0.000 1.450 262 F CB 0.165 38.967 39.000 -0.330 0.000 1.107 262 F HN 0.019 nan 8.300 nan 0.000 0.563 263 Q N 0.190 119.808 119.800 -0.304 0.000 3.244 263 Q HA 0.190 4.531 4.340 0.001 0.000 0.249 263 Q C -2.162 173.579 176.000 -0.432 0.000 0.951 263 Q CA -1.484 54.055 55.803 -0.440 0.000 0.740 263 Q CB 1.219 29.438 28.738 -0.865 0.000 1.334 263 Q HN 0.031 nan 8.270 nan 0.000 0.448 264 P HA -0.193 nan 4.420 nan 0.000 0.223 264 P C 1.390 178.620 177.300 -0.117 0.000 1.144 264 P CA 1.221 64.208 63.100 -0.187 0.000 0.783 264 P CB 0.215 31.829 31.700 -0.143 0.000 0.771 265 S N -1.782 113.881 115.700 -0.061 0.000 2.440 265 S HA -0.185 4.285 4.470 0.001 0.000 0.238 265 S C 1.698 176.371 174.600 0.122 0.000 1.010 265 S CA 0.872 59.091 58.200 0.031 0.000 0.972 265 S CB -1.556 61.687 63.200 0.071 0.000 0.774 265 S HN -0.048 nan 8.310 nan 0.000 0.501 266 F N 2.590 122.425 119.950 -0.191 0.000 2.202 266 F HA 0.113 4.641 4.527 0.001 0.000 0.301 266 F C 1.893 177.453 175.800 -0.400 0.000 1.082 266 F CA 0.189 58.032 58.000 -0.262 0.000 1.313 266 F CB -0.607 38.190 39.000 -0.339 0.000 1.024 266 F HN 0.428 nan 8.300 nan 0.000 0.495 267 I N -3.542 116.902 120.570 -0.209 0.000 3.877 267 I HA 0.544 4.715 4.170 0.001 0.000 0.332 267 I C 1.211 177.264 176.117 -0.106 0.000 1.525 267 I CA 0.444 61.603 61.300 -0.234 0.000 1.146 267 I CB -0.088 37.727 38.000 -0.308 0.000 1.137 267 I HN 0.120 nan 8.210 nan 0.000 0.424 268 G N 1.780 110.543 108.800 -0.063 0.000 2.136 268 G HA2 -0.254 3.707 3.960 0.001 0.000 0.242 268 G HA3 -0.254 3.707 3.960 0.001 0.000 0.242 268 G C -0.001 174.874 174.900 -0.042 0.000 0.989 268 G CA 0.155 45.233 45.100 -0.037 0.000 0.682 268 G HN 0.458 nan 8.290 nan 0.000 0.522 269 M N -0.135 119.430 119.600 -0.057 0.000 2.233 269 M HA 0.357 4.837 4.480 0.001 0.000 0.355 269 M C 1.208 177.480 176.300 -0.048 0.000 1.191 269 M CA -0.295 54.971 55.300 -0.058 0.000 1.101 269 M CB 1.438 33.990 32.600 -0.080 0.000 1.592 269 M HN 0.235 nan 8.290 nan 0.000 0.461 270 E N 1.064 121.240 120.200 -0.040 0.000 2.502 270 E HA 0.023 4.374 4.350 0.001 0.000 0.194 270 E C -0.361 176.215 176.600 -0.040 0.000 1.062 270 E CA -0.019 56.362 56.400 -0.031 0.000 0.867 270 E CB 0.525 30.210 29.700 -0.024 0.000 0.888 270 E HN 0.670 nan 8.360 nan 0.000 0.510 271 S N 0.808 116.475 115.700 -0.055 0.000 2.585 271 S HA 0.340 4.811 4.470 0.001 0.000 0.273 271 S C 0.126 174.685 174.600 -0.069 0.000 1.339 271 S CA -0.235 57.927 58.200 -0.063 0.000 1.028 271 S CB 1.378 64.531 63.200 -0.079 0.000 0.906 271 S HN 0.377 nan 8.310 nan 0.000 0.528 272 A N 1.817 124.593 122.820 -0.073 0.000 2.520 272 A HA 0.492 4.812 4.320 0.001 0.000 0.235 272 A C 0.977 178.492 177.584 -0.116 0.000 1.065 272 A CA 0.079 52.060 52.037 -0.093 0.000 0.764 272 A CB -0.499 18.440 19.000 -0.100 0.000 1.002 272 A HN 0.929 nan 8.150 nan 0.000 0.502 273 G N 0.028 108.760 108.800 -0.115 0.000 2.616 273 G HA2 0.392 4.353 3.960 0.001 0.000 0.268 273 G HA3 0.392 4.353 3.960 0.001 0.000 0.268 273 G C 1.011 175.836 174.900 -0.126 0.000 1.213 273 G CA -0.055 44.998 45.100 -0.078 0.000 0.926 273 G HN 1.192 nan 8.290 nan 0.000 0.523 274 I N -1.985 118.487 120.570 -0.163 0.000 2.493 274 I HA -0.097 4.074 4.170 0.001 0.000 0.254 274 I C 2.128 178.230 176.117 -0.025 0.000 1.160 274 I CA 1.722 62.916 61.300 -0.176 0.000 1.445 274 I CB -0.704 37.100 38.000 -0.326 0.000 1.086 274 I HN 0.751 nan 8.210 nan 0.000 0.433 275 H N 0.830 119.882 119.070 -0.031 0.000 2.357 275 H HA 0.027 4.584 4.556 0.001 0.000 0.301 275 H C 1.844 177.239 175.328 0.112 0.000 1.082 275 H CA 1.179 57.299 56.048 0.120 0.000 1.342 275 H CB -0.437 29.473 29.762 0.246 0.000 1.389 275 H HN 0.393 nan 8.280 nan 0.000 0.511 276 E N 0.572 120.423 120.200 -0.581 0.000 2.072 276 E HA -0.134 4.216 4.350 0.001 0.000 0.190 276 E C 2.437 178.988 176.600 -0.081 0.000 0.982 276 E CA 1.695 57.900 56.400 -0.324 0.000 0.803 276 E CB 0.013 29.459 29.700 -0.424 0.000 0.755 276 E HN 0.742 nan 8.360 nan 0.000 0.453 277 T N -1.223 113.268 114.554 -0.105 0.000 2.788 277 T HA -0.131 4.219 4.350 0.001 0.000 0.268 277 T C 2.066 176.747 174.700 -0.030 0.000 1.044 277 T CA 1.595 63.657 62.100 -0.063 0.000 1.139 277 T CB -0.590 68.230 68.868 -0.079 0.000 0.867 277 T HN -0.035 nan 8.240 nan 0.000 0.454 278 T N 0.866 115.423 114.554 0.005 0.000 2.674 278 T HA -0.064 4.286 4.350 0.001 0.000 0.265 278 T C 1.489 176.217 174.700 0.047 0.000 1.039 278 T CA 1.529 63.647 62.100 0.029 0.000 1.150 278 T CB -0.662 68.255 68.868 0.082 0.000 0.864 278 T HN 0.537 nan 8.240 nan 0.000 0.427 279 Y N 2.803 123.098 120.300 -0.008 0.000 2.145 279 Y HA -0.170 4.380 4.550 0.001 0.000 0.286 279 Y C 2.193 178.079 175.900 -0.024 0.000 1.145 279 Y CA 1.263 59.373 58.100 0.016 0.000 1.148 279 Y CB -0.578 37.917 38.460 0.057 0.000 0.981 279 Y HN 0.105 nan 8.280 nan 0.000 0.507 280 N N -0.397 118.243 118.700 -0.101 0.000 2.166 280 N HA -0.193 4.547 4.740 0.001 0.000 0.186 280 N C 2.176 177.567 175.510 -0.200 0.000 1.019 280 N CA 1.407 54.345 53.050 -0.186 0.000 0.856 280 N CB -0.746 37.699 38.487 -0.071 0.000 0.993 280 N HN 0.396 nan 8.380 nan 0.000 0.426 281 S N 0.632 116.239 115.700 -0.154 0.000 2.356 281 S HA 0.024 4.494 4.470 0.001 0.000 0.223 281 S C 1.978 176.452 174.600 -0.209 0.000 1.032 281 S CA 0.621 58.725 58.200 -0.161 0.000 1.005 281 S CB -0.215 62.912 63.200 -0.122 0.000 0.867 281 S HN 0.228 nan 8.310 nan 0.000 0.449 282 I N 1.347 121.766 120.570 -0.253 0.000 2.286 282 I HA -0.168 4.002 4.170 0.001 0.000 0.248 282 I C 2.234 178.175 176.117 -0.294 0.000 1.115 282 I CA 1.013 62.121 61.300 -0.319 0.000 1.392 282 I CB -0.272 37.437 38.000 -0.486 0.000 1.065 282 I HN 0.356 nan 8.210 nan 0.000 0.418 283 M N 0.009 119.397 119.600 -0.353 0.000 2.476 283 M HA -0.089 4.392 4.480 0.001 0.000 0.262 283 M C 1.839 178.044 176.300 -0.158 0.000 1.079 283 M CA 1.238 56.364 55.300 -0.290 0.000 1.104 283 M CB -0.809 31.526 32.600 -0.442 0.000 1.409 283 M HN 0.105 nan 8.290 nan 0.000 0.467 284 K N -0.283 120.034 120.400 -0.140 0.000 2.432 284 K HA 0.061 4.382 4.320 0.001 0.000 0.196 284 K C 0.585 177.214 176.600 0.047 0.000 1.038 284 K CA 0.217 56.480 56.287 -0.041 0.000 0.986 284 K CB -0.265 32.188 32.500 -0.078 0.000 0.782 284 K HN 0.325 nan 8.250 nan 0.000 0.485 285 C N 1.864 121.133 119.300 -0.050 0.000 2.398 285 C HA 0.184 4.645 4.460 0.001 0.000 0.364 285 C C 0.813 175.785 174.990 -0.030 0.000 1.219 285 C CA -1.486 57.518 59.018 -0.023 0.000 2.312 285 C CB 0.809 28.483 27.740 -0.109 0.000 2.428 285 C HN 0.408 nan 8.230 nan 0.000 0.564 286 D N 0.999 121.377 120.400 -0.036 0.000 2.658 286 D HA -0.089 4.552 4.640 0.001 0.000 0.230 286 D C 1.021 177.283 176.300 -0.064 0.000 1.118 286 D CA 0.449 54.410 54.000 -0.065 0.000 0.848 286 D CB 0.418 41.149 40.800 -0.115 0.000 1.160 286 D HN 0.622 nan 8.370 nan 0.000 0.497 287 I N 3.371 123.918 120.570 -0.037 0.000 2.315 287 I HA -0.295 3.876 4.170 0.001 0.000 0.251 287 I C 1.213 177.325 176.117 -0.008 0.000 1.125 287 I CA 1.281 62.574 61.300 -0.013 0.000 1.392 287 I CB 0.196 38.197 38.000 0.002 0.000 1.065 287 I HN 0.353 nan 8.210 nan 0.000 0.424 288 D N 0.558 120.940 120.400 -0.030 0.000 2.348 288 D HA -0.074 4.566 4.640 0.001 0.000 0.216 288 D C 1.824 178.109 176.300 -0.025 0.000 0.970 288 D CA 1.372 55.360 54.000 -0.021 0.000 0.889 288 D CB 0.022 40.804 40.800 -0.031 0.000 0.912 288 D HN 0.657 nan 8.370 nan 0.000 0.524 289 I N -2.892 117.637 120.570 -0.068 0.000 4.018 289 I HA 0.213 4.384 4.170 0.001 0.000 0.337 289 I C 1.730 177.840 176.117 -0.012 0.000 1.327 289 I CA -0.267 61.000 61.300 -0.056 0.000 1.100 289 I CB 0.318 38.191 38.000 -0.212 0.000 1.025 289 I HN -0.309 nan 8.210 nan 0.000 0.396 290 R N 1.819 122.313 120.500 -0.009 0.000 2.115 290 R HA -0.091 4.250 4.340 0.001 0.000 0.230 290 R C 2.183 178.548 176.300 0.108 0.000 1.111 290 R CA 1.322 57.406 56.100 -0.028 0.000 0.976 290 R CB -0.295 30.012 30.300 0.012 0.000 0.870 290 R HN 0.407 nan 8.270 nan 0.000 0.445 291 K N 0.994 121.499 120.400 0.175 0.000 2.063 291 K HA -0.192 4.129 4.320 0.001 0.000 0.208 291 K C 1.114 177.817 176.600 0.171 0.000 1.048 291 K CA 1.890 58.306 56.287 0.215 0.000 0.928 291 K CB 0.039 32.620 32.500 0.135 0.000 0.713 291 K HN 0.070 nan 8.250 nan 0.000 0.442 292 D N 0.771 121.241 120.400 0.118 0.000 2.178 292 D HA -0.115 4.526 4.640 0.001 0.000 0.202 292 D C 2.020 178.369 176.300 0.082 0.000 0.974 292 D CA 0.806 54.869 54.000 0.105 0.000 0.841 292 D CB -0.032 40.842 40.800 0.124 0.000 0.953 292 D HN 0.256 nan 8.370 nan 0.000 0.478 293 L N -0.302 120.939 121.223 0.029 0.000 2.027 293 L HA -0.185 4.156 4.340 0.001 0.000 0.206 293 L C 2.426 179.288 176.870 -0.013 0.000 1.074 293 L CA 0.966 55.780 54.840 -0.043 0.000 0.745 293 L CB -0.547 41.409 42.059 -0.172 0.000 0.898 293 L HN 0.025 nan 8.230 nan 0.000 0.433 294 Y N 0.249 120.579 120.300 0.050 0.000 2.224 294 Y HA -0.190 4.361 4.550 0.001 0.000 0.289 294 Y C 2.531 178.461 175.900 0.051 0.000 1.146 294 Y CA 1.078 59.212 58.100 0.057 0.000 1.182 294 Y CB -0.585 37.912 38.460 0.061 0.000 0.983 294 Y HN 0.126 nan 8.280 nan 0.000 0.524 295 A N -0.864 122.079 122.820 0.205 0.000 2.238 295 A HA 0.048 4.368 4.320 0.001 0.000 0.208 295 A C 0.705 178.345 177.584 0.093 0.000 1.177 295 A CA 0.481 52.596 52.037 0.130 0.000 0.804 295 A CB -0.264 18.799 19.000 0.105 0.000 0.823 295 A HN 0.361 nan 8.150 nan 0.000 0.482 296 N N 1.104 119.855 118.700 0.085 0.000 2.664 296 N HA 0.072 4.812 4.740 0.001 0.000 0.287 296 N C -1.456 174.083 175.510 0.048 0.000 1.869 296 N CA -0.182 52.904 53.050 0.059 0.000 0.832 296 N CB 0.385 38.902 38.487 0.050 0.000 1.293 296 N HN 0.279 nan 8.380 nan 0.000 0.498 297 N N 1.163 119.900 118.700 0.061 0.000 2.415 297 N HA 0.168 4.909 4.740 0.001 0.000 0.246 297 N C -0.417 175.121 175.510 0.047 0.000 1.078 297 N CA 0.085 53.167 53.050 0.053 0.000 0.942 297 N CB 1.974 40.510 38.487 0.081 0.000 1.140 297 N HN -0.038 nan 8.380 nan 0.000 0.501 298 V N 4.092 124.025 119.914 0.031 0.000 2.427 298 V HA 0.353 4.473 4.120 0.001 0.000 0.286 298 V C 0.571 176.682 176.094 0.027 0.000 1.034 298 V CA -0.539 61.779 62.300 0.028 0.000 0.893 298 V CB 1.631 33.464 31.823 0.016 0.000 0.982 298 V HN 0.520 nan 8.190 nan 0.000 0.452 299 M N 3.812 123.433 119.600 0.035 0.000 2.233 299 M HA 0.473 4.954 4.480 0.001 0.000 0.355 299 M C -0.015 176.301 176.300 0.027 0.000 1.191 299 M CA 0.251 55.572 55.300 0.036 0.000 1.101 299 M CB 1.622 34.252 32.600 0.049 0.000 1.592 299 M HN 0.692 nan 8.290 nan 0.000 0.461 300 S N 1.983 117.698 115.700 0.024 0.000 2.549 300 S HA 0.907 5.377 4.470 0.001 0.000 0.280 300 S C -0.549 174.065 174.600 0.023 0.000 1.109 300 S CA 0.224 58.437 58.200 0.023 0.000 0.905 300 S CB 1.870 65.079 63.200 0.016 0.000 1.081 300 S HN 1.181 nan 8.310 nan 0.000 0.477 301 G N 1.695 110.509 108.800 0.023 0.000 2.629 301 G HA2 0.155 4.115 3.960 0.001 0.000 0.686 301 G HA3 0.155 4.115 3.960 0.001 0.000 0.686 301 G C 0.684 175.579 174.900 -0.009 0.000 1.232 301 G CA -0.071 45.040 45.100 0.018 0.000 0.803 301 G HN 1.539 nan 8.290 nan 0.000 0.638 302 G N -0.908 107.878 108.800 -0.023 0.000 2.432 302 G HA2 0.059 4.020 3.960 0.001 0.000 0.219 302 G HA3 0.059 4.020 3.960 0.001 0.000 0.219 302 G C 1.660 176.502 174.900 -0.097 0.000 1.135 302 G CA 2.226 47.285 45.100 -0.069 0.000 0.767 302 G HN 1.282 nan 8.290 nan 0.000 0.550 303 T N 0.662 115.194 114.554 -0.038 0.000 3.118 303 T HA -0.004 4.346 4.350 0.001 0.000 0.260 303 T C 2.392 177.149 174.700 0.095 0.000 1.139 303 T CA 1.443 63.556 62.100 0.021 0.000 1.085 303 T CB -0.168 68.746 68.868 0.078 0.000 0.934 303 T HN 0.534 nan 8.240 nan 0.000 0.518 304 T N -0.799 113.779 114.554 0.040 0.000 3.144 304 T HA 0.195 4.545 4.350 0.001 0.000 0.249 304 T C 1.618 176.346 174.700 0.046 0.000 1.089 304 T CA -0.126 62.022 62.100 0.081 0.000 0.989 304 T CB -0.256 68.647 68.868 0.057 0.000 0.992 304 T HN 0.072 nan 8.240 nan 0.000 0.540 305 M N 0.533 120.088 119.600 -0.075 0.000 2.558 305 M HA 0.250 4.730 4.480 0.001 0.000 0.255 305 M C -0.268 175.974 176.300 -0.097 0.000 1.113 305 M CA -0.192 55.039 55.300 -0.115 0.000 1.097 305 M CB -0.978 31.509 32.600 -0.187 0.000 1.426 305 M HN 0.335 nan 8.290 nan 0.000 0.488 306 Y N 1.915 122.253 120.300 0.063 0.000 2.721 306 Y HA 0.001 4.552 4.550 0.001 0.000 0.329 306 Y C -1.651 174.315 175.900 0.110 0.000 1.211 306 Y CA -1.593 56.566 58.100 0.098 0.000 1.512 306 Y CB -0.767 37.766 38.460 0.122 0.000 1.249 306 Y HN 0.111 nan 8.280 nan 0.000 0.549 307 P HA 0.010 nan 4.420 nan 0.000 0.264 307 P C 0.851 178.294 177.300 0.239 0.000 1.183 307 P CA 1.584 64.799 63.100 0.191 0.000 0.763 307 P CB 0.595 32.383 31.700 0.147 0.000 0.807 308 G N 2.649 111.545 108.800 0.160 0.000 2.241 308 G HA2 -0.345 3.615 3.960 0.001 0.000 0.244 308 G HA3 -0.345 3.615 3.960 0.001 0.000 0.244 308 G C 0.939 175.920 174.900 0.135 0.000 0.998 308 G CA 0.243 45.428 45.100 0.142 0.000 0.621 308 G HN 0.558 nan 8.290 nan 0.000 0.519 309 I N 1.120 121.804 120.570 0.189 0.000 2.315 309 I HA 0.126 4.297 4.170 0.001 0.000 0.248 309 I C 2.926 179.151 176.117 0.180 0.000 1.117 309 I CA 2.110 63.545 61.300 0.225 0.000 1.404 309 I CB -0.216 37.959 38.000 0.291 0.000 1.071 309 I HN 0.364 nan 8.210 nan 0.000 0.419 310 A N 0.274 123.173 122.820 0.132 0.000 1.902 310 A HA -0.238 4.083 4.320 0.001 0.000 0.217 310 A C 1.936 179.569 177.584 0.081 0.000 1.181 310 A CA 2.047 54.147 52.037 0.105 0.000 0.623 310 A CB -0.678 18.370 19.000 0.080 0.000 0.818 310 A HN 0.441 nan 8.150 nan 0.000 0.443 311 D N -0.785 119.649 120.400 0.058 0.000 2.144 311 D HA -0.133 4.507 4.640 0.001 0.000 0.200 311 D C 2.102 178.402 176.300 -0.000 0.000 0.978 311 D CA 1.432 55.447 54.000 0.026 0.000 0.833 311 D CB -0.261 40.547 40.800 0.013 0.000 0.961 311 D HN 0.366 nan 8.370 nan 0.000 0.470 312 R N 0.410 120.897 120.500 -0.022 0.000 2.081 312 R HA -0.047 4.293 4.340 0.001 0.000 0.235 312 R C 2.129 178.390 176.300 -0.064 0.000 1.131 312 R CA 1.050 57.068 56.100 -0.136 0.000 0.960 312 R CB -0.451 29.655 30.300 -0.322 0.000 0.856 312 R HN 0.037 nan 8.270 nan 0.000 0.436 313 M N 0.359 120.020 119.600 0.102 0.000 2.108 313 M HA -0.180 4.301 4.480 0.001 0.000 0.261 313 M C 2.255 178.628 176.300 0.121 0.000 1.066 313 M CA 1.904 57.320 55.300 0.192 0.000 1.107 313 M CB -0.920 31.810 32.600 0.218 0.000 1.356 313 M HN 0.346 nan 8.290 nan 0.000 0.406 314 Q N 0.551 120.400 119.800 0.080 0.000 2.061 314 Q HA -0.220 4.121 4.340 0.001 0.000 0.204 314 Q C 2.078 178.099 176.000 0.034 0.000 0.984 314 Q CA 2.126 57.965 55.803 0.061 0.000 0.846 314 Q CB -0.091 28.672 28.738 0.043 0.000 0.902 314 Q HN 0.432 nan 8.270 nan 0.000 0.421 315 K N -0.399 120.001 120.400 0.001 0.000 2.026 315 K HA -0.190 4.130 4.320 0.001 0.000 0.208 315 K C 1.926 178.515 176.600 -0.019 0.000 1.048 315 K CA 1.562 57.834 56.287 -0.026 0.000 0.929 315 K CB 0.032 32.494 32.500 -0.062 0.000 0.713 315 K HN 0.223 nan 8.250 nan 0.000 0.439 316 E N 0.733 120.927 120.200 -0.011 0.000 2.106 316 E HA -0.154 4.196 4.350 0.001 0.000 0.192 316 E C 2.072 178.725 176.600 0.089 0.000 0.984 316 E CA 0.758 57.176 56.400 0.029 0.000 0.806 316 E CB -0.073 29.650 29.700 0.038 0.000 0.750 316 E HN 0.359 nan 8.360 nan 0.000 0.458 317 I N 1.288 121.930 120.570 0.120 0.000 2.315 317 I HA -0.169 4.002 4.170 0.001 0.000 0.248 317 I C 2.196 178.338 176.117 0.042 0.000 1.117 317 I CA 1.145 62.528 61.300 0.138 0.000 1.404 317 I CB -1.552 36.579 38.000 0.220 0.000 1.071 317 I HN 0.044 nan 8.210 nan 0.000 0.419 318 T N 1.506 116.067 114.554 0.011 0.000 2.759 318 T HA -0.136 4.214 4.350 0.001 0.000 0.269 318 T C 2.034 176.697 174.700 -0.063 0.000 1.042 318 T CA 1.529 63.605 62.100 -0.041 0.000 1.140 318 T CB -0.270 68.580 68.868 -0.030 0.000 0.864 318 T HN 0.458 nan 8.240 nan 0.000 0.455 319 A N 0.772 123.561 122.820 -0.051 0.000 1.972 319 A HA 0.058 4.378 4.320 0.001 0.000 0.219 319 A C 2.180 179.694 177.584 -0.117 0.000 1.169 319 A CA 1.143 53.140 52.037 -0.066 0.000 0.635 319 A CB -0.561 18.412 19.000 -0.045 0.000 0.810 319 A HN 0.508 nan 8.150 nan 0.000 0.446 320 L N -1.434 119.680 121.223 -0.182 0.000 2.354 320 L HA 0.235 4.575 4.340 0.001 0.000 0.212 320 L C 1.518 178.193 176.870 -0.326 0.000 1.091 320 L CA 0.184 54.779 54.840 -0.408 0.000 0.828 320 L CB -0.292 41.271 42.059 -0.827 0.000 0.973 320 L HN 0.352 nan 8.230 nan 0.000 0.461 321 A N 0.279 123.007 122.820 -0.155 0.000 2.287 321 A HA 0.491 4.811 4.320 0.001 0.000 0.273 321 A C -2.237 175.272 177.584 -0.125 0.000 1.091 321 A CA -1.116 50.850 52.037 -0.118 0.000 0.817 321 A CB -0.397 18.324 19.000 -0.464 0.000 1.069 321 A HN -0.077 nan 8.150 nan 0.000 0.492 322 P HA 0.102 nan 4.420 nan 0.000 0.269 322 P C 0.765 178.002 177.300 -0.104 0.000 1.215 322 P CA 0.052 63.111 63.100 -0.067 0.000 0.780 322 P CB 0.752 32.435 31.700 -0.029 0.000 0.898 323 S N 0.779 116.441 115.700 -0.062 0.000 2.474 323 S HA -0.093 4.378 4.470 0.001 0.000 0.235 323 S C 1.383 175.950 174.600 -0.055 0.000 0.997 323 S CA 1.518 59.684 58.200 -0.057 0.000 0.949 323 S CB -1.024 62.155 63.200 -0.035 0.000 0.766 323 S HN 0.679 nan 8.310 nan 0.000 0.517 324 T N -0.625 113.899 114.554 -0.049 0.000 3.400 324 T HA 0.319 4.670 4.350 0.001 0.000 0.254 324 T C 0.086 174.758 174.700 -0.047 0.000 1.153 324 T CA 0.031 62.111 62.100 -0.033 0.000 1.012 324 T CB -0.468 68.394 68.868 -0.011 0.000 0.994 324 T HN 0.234 nan 8.240 nan 0.000 0.555 325 M N 1.332 120.877 119.600 -0.092 0.000 2.326 325 M HA 0.469 4.949 4.480 0.001 0.000 0.292 325 M C -0.821 175.427 176.300 -0.086 0.000 1.081 325 M CA -0.788 54.445 55.300 -0.112 0.000 0.919 325 M CB 2.604 35.041 32.600 -0.272 0.000 1.634 325 M HN -0.155 nan 8.290 nan 0.000 0.451 326 K N 3.931 124.319 120.400 -0.020 0.000 2.349 326 K HA 0.398 4.718 4.320 0.001 0.000 0.289 326 K C -1.302 175.319 176.600 0.035 0.000 1.064 326 K CA 0.063 56.355 56.287 0.009 0.000 0.947 326 K CB 0.286 32.805 32.500 0.031 0.000 1.007 326 K HN 0.507 nan 8.250 nan 0.000 0.478 327 I N 4.444 125.030 120.570 0.027 0.000 2.336 327 I HA 0.350 4.521 4.170 0.001 0.000 0.292 327 I C -0.197 175.965 176.117 0.076 0.000 0.991 327 I CA -0.471 60.874 61.300 0.076 0.000 1.227 327 I CB 1.097 39.127 38.000 0.050 0.000 1.366 327 I HN 0.628 nan 8.210 nan 0.000 0.466 328 K N 6.698 127.157 120.400 0.098 0.000 2.541 328 K HA 0.539 4.859 4.320 0.001 0.000 0.250 328 K C -1.529 175.121 176.600 0.082 0.000 0.950 328 K CA -0.564 55.769 56.287 0.076 0.000 0.805 328 K CB 1.701 34.240 32.500 0.065 0.000 1.166 328 K HN 0.338 nan 8.250 nan 0.000 0.430 329 I N 5.857 126.470 120.570 0.073 0.000 2.321 329 I HA 0.323 4.493 4.170 0.001 0.000 0.291 329 I C -0.192 175.960 176.117 0.058 0.000 0.998 329 I CA -0.883 60.461 61.300 0.073 0.000 1.227 329 I CB 0.958 39.006 38.000 0.080 0.000 1.368 329 I HN 0.552 nan 8.210 nan 0.000 0.466 330 I N 5.478 126.080 120.570 0.053 0.000 2.339 330 I HA 0.507 4.677 4.170 0.001 0.000 0.290 330 I C 0.418 176.561 176.117 0.043 0.000 0.994 330 I CA -0.093 61.233 61.300 0.044 0.000 1.191 330 I CB 1.702 39.726 38.000 0.039 0.000 1.343 330 I HN 0.677 nan 8.210 nan 0.000 0.458 331 A N 7.815 130.659 122.820 0.040 0.000 2.842 331 A HA 0.689 5.009 4.320 0.001 0.000 0.339 331 A C -2.564 175.038 177.584 0.029 0.000 1.177 331 A CA -1.428 50.632 52.037 0.038 0.000 0.797 331 A CB -0.333 18.695 19.000 0.046 0.000 1.094 331 A HN 0.397 nan 8.150 nan 0.000 0.474 332 P HA 0.142 nan 4.420 nan 0.000 0.265 332 P C -1.934 175.374 177.300 0.014 0.000 1.193 332 P CA -0.857 62.257 63.100 0.024 0.000 0.765 332 P CB 0.597 32.315 31.700 0.031 0.000 0.823 333 P HA -0.168 nan 4.420 nan 0.000 0.219 333 P C 0.926 178.212 177.300 -0.024 0.000 1.146 333 P CA 1.328 64.423 63.100 -0.008 0.000 0.808 333 P CB -0.130 31.567 31.700 -0.005 0.000 0.779 334 E N 0.893 121.092 120.200 -0.001 0.000 2.403 334 E HA -0.077 4.273 4.350 0.001 0.000 0.187 334 E C 1.345 177.952 176.600 0.011 0.000 1.073 334 E CA -0.016 56.385 56.400 0.001 0.000 0.888 334 E CB -0.636 29.102 29.700 0.064 0.000 1.035 334 E HN 0.380 nan 8.360 nan 0.000 0.471 335 R N 1.224 121.721 120.500 -0.004 0.000 2.328 335 R HA 0.023 4.363 4.340 0.001 0.000 0.207 335 R C 1.368 177.673 176.300 0.007 0.000 1.056 335 R CA 0.482 56.592 56.100 0.017 0.000 1.016 335 R CB -0.345 29.963 30.300 0.014 0.000 0.872 335 R HN -0.006 nan 8.270 nan 0.000 0.471 336 K N 0.202 120.561 120.400 -0.068 0.000 2.280 336 K HA -0.101 4.219 4.320 0.001 0.000 0.202 336 K C 0.647 177.327 176.600 0.133 0.000 1.047 336 K CA 1.261 57.501 56.287 -0.079 0.000 0.942 336 K CB 0.043 32.375 32.500 -0.281 0.000 0.739 336 K HN 0.426 nan 8.250 nan 0.000 0.457 337 Y N -1.123 119.199 120.300 0.037 0.000 2.588 337 Y HA 0.149 4.699 4.550 0.001 0.000 0.247 337 Y C 1.695 177.681 175.900 0.144 0.000 1.157 337 Y CA -0.735 57.416 58.100 0.086 0.000 1.215 337 Y CB 0.951 39.446 38.460 0.059 0.000 1.245 337 Y HN -0.016 nan 8.280 nan 0.000 0.534 338 S N 0.373 116.208 115.700 0.225 0.000 2.370 338 S HA -0.192 4.278 4.470 0.001 0.000 0.226 338 S C 2.084 176.752 174.600 0.113 0.000 1.033 338 S CA 1.487 59.774 58.200 0.145 0.000 1.011 338 S CB -0.362 62.885 63.200 0.078 0.000 0.852 338 S HN 0.236 nan 8.310 nan 0.000 0.457 339 V N -0.005 119.974 119.914 0.108 0.000 2.287 339 V HA -0.206 3.914 4.120 0.001 0.000 0.248 339 V C 1.841 177.963 176.094 0.046 0.000 1.053 339 V CA 1.915 64.245 62.300 0.051 0.000 1.027 339 V CB -0.712 31.144 31.823 0.056 0.000 0.646 339 V HN 0.697 nan 8.190 nan 0.000 0.447 340 W N 0.493 121.783 121.300 -0.016 0.000 2.355 340 W HA -0.176 4.484 4.660 0.001 0.000 0.309 340 W C 2.249 178.746 176.519 -0.036 0.000 1.206 340 W CA 1.866 59.181 57.345 -0.050 0.000 1.284 340 W CB -0.216 29.175 29.460 -0.116 0.000 1.145 340 W HN 0.175 nan 8.180 nan 0.000 0.502 341 I N 0.526 121.216 120.570 0.200 0.000 2.226 341 I HA -0.230 3.940 4.170 0.001 0.000 0.245 341 I C 2.634 178.672 176.117 -0.132 0.000 1.100 341 I CA 1.579 62.925 61.300 0.077 0.000 1.374 341 I CB -1.253 36.877 38.000 0.217 0.000 1.057 341 I HN 0.191 nan 8.210 nan 0.000 0.413 342 G N 0.412 109.159 108.800 -0.088 0.000 2.422 342 G HA2 -0.185 3.775 3.960 0.001 0.000 0.218 342 G HA3 -0.185 3.775 3.960 0.001 0.000 0.218 342 G C 1.711 176.494 174.900 -0.194 0.000 1.146 342 G CA 0.824 45.874 45.100 -0.083 0.000 0.769 342 G HN 0.502 nan 8.290 nan 0.000 0.547 343 G N 0.294 108.899 108.800 -0.324 0.000 2.402 343 G HA2 -0.170 3.790 3.960 0.001 0.000 0.216 343 G HA3 -0.170 3.790 3.960 0.001 0.000 0.216 343 G C 2.065 176.647 174.900 -0.529 0.000 1.162 343 G CA 1.494 46.337 45.100 -0.428 0.000 0.777 343 G HN 0.485 nan 8.290 nan 0.000 0.539 344 S N 0.136 115.406 115.700 -0.717 0.000 2.368 344 S HA -0.076 4.394 4.470 0.001 0.000 0.225 344 S C 2.404 176.814 174.600 -0.317 0.000 1.030 344 S CA 1.180 59.016 58.200 -0.607 0.000 0.999 344 S CB -0.264 62.467 63.200 -0.782 0.000 0.844 344 S HN 0.364 nan 8.310 nan 0.000 0.459 345 I N 0.847 121.257 120.570 -0.266 0.000 2.163 345 I HA -0.132 4.039 4.170 0.001 0.000 0.240 345 I C 2.343 178.298 176.117 -0.271 0.000 1.081 345 I CA 0.967 62.150 61.300 -0.194 0.000 1.353 345 I CB -0.395 37.521 38.000 -0.139 0.000 1.054 345 I HN 0.319 nan 8.210 nan 0.000 0.407 346 L N 1.262 122.262 121.223 -0.371 0.000 2.012 346 L HA -0.172 4.169 4.340 0.001 0.000 0.210 346 L C 2.457 178.819 176.870 -0.847 0.000 1.073 346 L CA 2.253 56.734 54.840 -0.597 0.000 0.748 346 L CB -0.765 40.901 42.059 -0.655 0.000 0.891 346 L HN 0.206 nan 8.230 nan 0.000 0.431 347 A N -1.943 120.432 122.820 -0.742 0.000 2.121 347 A HA -0.094 4.226 4.320 0.001 0.000 0.218 347 A C 2.288 179.833 177.584 -0.065 0.000 1.154 347 A CA 1.561 53.290 52.037 -0.514 0.000 0.679 347 A CB -0.621 18.275 19.000 -0.174 0.000 0.795 347 A HN 0.534 nan 8.150 nan 0.000 0.458 348 S N -0.479 115.160 115.700 -0.102 0.000 2.496 348 S HA 0.210 4.680 4.470 0.001 0.000 0.224 348 S C 0.623 175.229 174.600 0.010 0.000 0.996 348 S CA -0.140 58.060 58.200 0.001 0.000 0.927 348 S CB -0.264 62.921 63.200 -0.026 0.000 0.774 348 S HN 0.489 nan 8.310 nan 0.000 0.524 349 L N 2.270 123.468 121.223 -0.040 0.000 2.426 349 L HA 0.138 4.478 4.340 0.001 0.000 0.271 349 L C 1.768 178.668 176.870 0.051 0.000 1.169 349 L CA -0.439 54.392 54.840 -0.016 0.000 0.836 349 L CB 0.639 42.658 42.059 -0.067 0.000 1.112 349 L HN 0.242 nan 8.230 nan 0.000 0.465 350 S N -0.016 115.703 115.700 0.032 0.000 2.383 350 S HA -0.225 4.246 4.470 0.001 0.000 0.229 350 S C 1.764 176.384 174.600 0.035 0.000 1.030 350 S CA 1.686 59.911 58.200 0.043 0.000 1.002 350 S CB -0.405 62.810 63.200 0.024 0.000 0.829 350 S HN 0.814 nan 8.310 nan 0.000 0.467 351 T N 0.287 114.850 114.554 0.016 0.000 3.007 351 T HA 0.041 4.391 4.350 0.001 0.000 0.270 351 T C 1.058 175.754 174.700 -0.007 0.000 1.107 351 T CA 0.898 62.999 62.100 0.001 0.000 1.118 351 T CB -0.657 68.204 68.868 -0.013 0.000 0.889 351 T HN 0.492 nan 8.240 nan 0.000 0.506 352 F N 1.217 121.068 119.950 -0.165 0.000 2.512 352 F HA 0.160 4.687 4.527 0.001 0.000 0.296 352 F C 2.168 177.788 175.800 -0.300 0.000 1.110 352 F CA 0.437 58.258 58.000 -0.298 0.000 1.446 352 F CB -0.075 38.675 39.000 -0.417 0.000 1.092 352 F HN 0.071 nan 8.300 nan 0.000 0.554 353 Q N 0.774 120.497 119.800 -0.129 0.000 2.170 353 Q HA -0.221 4.119 4.340 0.001 0.000 0.203 353 Q C 2.085 178.073 176.000 -0.021 0.000 0.976 353 Q CA 1.652 57.471 55.803 0.026 0.000 0.858 353 Q CB -0.879 27.964 28.738 0.174 0.000 0.907 353 Q HN 0.700 nan 8.270 nan 0.000 0.433 354 Q N -1.096 118.642 119.800 -0.104 0.000 2.500 354 Q HA -0.018 4.323 4.340 0.001 0.000 0.213 354 Q C 1.338 177.247 176.000 -0.151 0.000 0.974 354 Q CA 0.677 56.434 55.803 -0.077 0.000 0.918 354 Q CB 0.006 28.713 28.738 -0.051 0.000 0.980 354 Q HN 0.235 nan 8.270 nan 0.000 0.505 355 M N -0.720 118.624 119.600 -0.427 0.000 2.492 355 M HA 0.133 4.613 4.480 0.001 0.000 0.255 355 M C -0.164 175.924 176.300 -0.354 0.000 1.139 355 M CA 0.019 55.026 55.300 -0.488 0.000 1.096 355 M CB -0.368 31.694 32.600 -0.896 0.000 1.360 355 M HN 0.176 nan 8.290 nan 0.000 0.480 356 W N 1.864 122.932 121.300 -0.387 0.000 2.293 356 W HA 0.068 4.728 4.660 0.001 0.000 0.342 356 W C 0.253 176.803 176.519 0.051 0.000 1.274 356 W CA -0.377 56.914 57.345 -0.090 0.000 1.290 356 W CB 0.028 29.455 29.460 -0.056 0.000 1.176 356 W HN 0.010 nan 8.180 nan 0.000 0.570 357 I N 3.842 124.673 120.570 0.435 0.000 2.379 357 I HA 0.053 4.223 4.170 0.001 0.000 0.290 357 I C 0.983 177.332 176.117 0.386 0.000 1.063 357 I CA -0.255 61.249 61.300 0.341 0.000 1.351 357 I CB 0.025 38.241 38.000 0.360 0.000 1.410 357 I HN 0.347 nan 8.210 nan 0.000 0.505 358 T N 1.918 116.605 114.554 0.222 0.000 2.899 358 T HA 0.210 4.560 4.350 0.001 0.000 0.284 358 T C 0.954 175.644 174.700 -0.017 0.000 1.004 358 T CA -0.843 61.344 62.100 0.146 0.000 1.043 358 T CB 1.872 70.779 68.868 0.065 0.000 1.013 358 T HN 0.532 nan 8.240 nan 0.000 0.518 359 K N 0.763 121.126 120.400 -0.061 0.000 2.074 359 K HA -0.211 4.109 4.320 0.001 0.000 0.209 359 K C 2.358 178.829 176.600 -0.216 0.000 1.048 359 K CA 2.040 58.112 56.287 -0.358 0.000 0.926 359 K CB -0.682 31.763 32.500 -0.091 0.000 0.713 359 K HN 0.827 nan 8.250 nan 0.000 0.444 360 Q N 0.391 120.134 119.800 -0.096 0.000 2.061 360 Q HA -0.223 4.118 4.340 0.001 0.000 0.204 360 Q C 1.822 177.778 176.000 -0.073 0.000 0.984 360 Q CA 2.130 57.892 55.803 -0.067 0.000 0.846 360 Q CB -0.125 28.591 28.738 -0.036 0.000 0.902 360 Q HN 0.513 nan 8.270 nan 0.000 0.421 361 E N -0.721 119.447 120.200 -0.055 0.000 2.118 361 E HA -0.233 4.118 4.350 0.001 0.000 0.195 361 E C 1.738 178.299 176.600 -0.066 0.000 0.992 361 E CA 1.349 57.726 56.400 -0.038 0.000 0.804 361 E CB -0.229 29.477 29.700 0.011 0.000 0.741 361 E HN 0.484 nan 8.360 nan 0.000 0.458 362 Y N 1.779 121.909 120.300 -0.283 0.000 2.242 362 Y HA -0.186 4.364 4.550 0.001 0.000 0.291 362 Y C 1.648 177.399 175.900 -0.248 0.000 1.137 362 Y CA 1.490 59.384 58.100 -0.343 0.000 1.181 362 Y CB 0.102 38.067 38.460 -0.825 0.000 0.989 362 Y HN -0.055 nan 8.280 nan 0.000 0.527 363 D N 0.160 120.435 120.400 -0.208 0.000 2.144 363 D HA -0.150 4.491 4.640 0.001 0.000 0.200 363 D C 1.928 178.112 176.300 -0.194 0.000 0.978 363 D CA 1.458 55.335 54.000 -0.204 0.000 0.833 363 D CB -0.106 40.636 40.800 -0.097 0.000 0.961 363 D HN 0.437 nan 8.370 nan 0.000 0.470 364 E N 0.088 120.199 120.200 -0.148 0.000 2.047 364 E HA -0.016 4.334 4.350 0.001 0.000 0.191 364 E C 1.804 178.329 176.600 -0.125 0.000 0.987 364 E CA 1.305 57.640 56.400 -0.110 0.000 0.799 364 E CB 0.006 29.662 29.700 -0.074 0.000 0.752 364 E HN 0.196 nan 8.360 nan 0.000 0.449 365 A N -0.977 121.753 122.820 -0.150 0.000 1.993 365 A HA 0.549 4.870 4.320 0.001 0.000 0.207 365 A C 1.066 178.532 177.584 -0.196 0.000 1.224 365 A CA 0.882 52.839 52.037 -0.133 0.000 0.749 365 A CB 0.134 19.083 19.000 -0.085 0.000 0.884 365 A HN 0.370 nan 8.150 nan 0.000 0.467 366 G N -1.278 107.308 108.800 -0.357 0.000 2.498 366 G HA2 -0.005 3.956 3.960 0.001 0.000 0.651 366 G HA3 -0.005 3.956 3.960 0.001 0.000 0.651 366 G C -2.211 172.431 174.900 -0.430 0.000 1.284 366 G CA -0.230 44.554 45.100 -0.526 0.000 0.950 366 G HN 0.019 nan 8.290 nan 0.000 0.511 367 P HA -0.073 nan 4.420 nan 0.000 0.223 367 P C 1.775 179.095 177.300 0.033 0.000 1.144 367 P CA 2.108 65.326 63.100 0.196 0.000 0.783 367 P CB -0.202 31.650 31.700 0.253 0.000 0.771 368 S N -1.544 114.146 115.700 -0.017 0.000 2.607 368 S HA -0.021 4.450 4.470 0.001 0.000 0.224 368 S C 1.693 176.245 174.600 -0.081 0.000 0.969 368 S CA -0.120 58.073 58.200 -0.012 0.000 0.927 368 S CB -1.259 62.041 63.200 0.166 0.000 0.772 368 S HN -0.049 nan 8.310 nan 0.000 0.533 369 I N 1.427 121.953 120.570 -0.074 0.000 2.614 369 I HA -0.017 4.154 4.170 0.001 0.000 0.258 369 I C 2.156 178.203 176.117 -0.116 0.000 1.189 369 I CA 0.477 61.747 61.300 -0.051 0.000 1.462 369 I CB -0.402 37.600 38.000 0.003 0.000 1.092 369 I HN 0.270 nan 8.210 nan 0.000 0.442 370 V N 1.086 120.857 119.914 -0.239 0.000 2.594 370 V HA -0.294 3.827 4.120 0.001 0.000 0.253 370 V C 2.420 178.315 176.094 -0.330 0.000 1.069 370 V CA 2.115 64.246 62.300 -0.282 0.000 1.082 370 V CB -0.888 30.772 31.823 -0.272 0.000 0.680 370 V HN 0.537 nan 8.190 nan 0.000 0.469 371 H N 0.358 119.398 119.070 -0.049 0.000 2.462 371 H HA 0.039 4.595 4.556 0.001 0.000 0.292 371 H C 2.395 177.650 175.328 -0.122 0.000 1.049 371 H CA 1.577 57.576 56.048 -0.081 0.000 1.334 371 H CB -0.330 29.407 29.762 -0.042 0.000 1.404 371 H HN 0.556 nan 8.280 nan 0.000 0.544 372 R N 1.819 122.309 120.500 -0.017 0.000 2.276 372 R HA 0.073 4.414 4.340 0.001 0.000 0.196 372 R C 1.789 178.033 176.300 -0.092 0.000 0.961 372 R CA 0.551 56.624 56.100 -0.045 0.000 1.024 372 R CB -0.148 30.146 30.300 -0.011 0.000 0.940 372 R HN 0.237 nan 8.270 nan 0.000 0.480 373 K N -1.577 118.749 120.400 -0.123 0.000 2.425 373 K HA 0.247 4.567 4.320 0.001 0.000 0.201 373 K C -0.183 176.306 176.600 -0.184 0.000 1.128 373 K CA 0.243 56.477 56.287 -0.089 0.000 1.000 373 K CB 0.686 33.181 32.500 -0.009 0.000 0.961 373 K HN 0.374 nan 8.250 nan 0.000 0.555 374 C N 0.207 119.290 119.300 -0.363 0.000 3.044 374 C HA 0.646 5.107 4.460 0.001 0.000 0.315 374 C C -0.211 174.470 174.990 -0.514 0.000 1.320 374 C CA -0.961 57.769 59.018 -0.480 0.000 1.582 374 C CB 0.771 28.176 27.740 -0.558 0.000 2.039 374 C HN 0.101 nan 8.230 nan 0.000 0.466 375 F N 0.000 119.947 119.950 -0.004 0.000 2.286 375 F HA 0.000 4.527 4.527 0.001 0.000 0.279 375 F CA 0.000 58.036 58.000 0.060 0.000 1.383 375 F CB 0.000 39.069 39.000 0.115 0.000 1.145 375 F HN 0.000 nan 8.300 nan 0.000 0.574