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 3izm_1_A DATA FIRST_RESID 1 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI TNIKDLSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.084 176.094 -0.017 0.000 1.182 1 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 1 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 2 L N 2.408 123.619 121.223 -0.021 0.000 2.325 2 L HA 0.621 4.961 4.340 0.000 0.000 0.278 2 L C -2.351 174.504 176.870 -0.024 0.000 1.023 2 L CA -1.585 53.239 54.840 -0.026 0.000 0.811 2 L CB 1.048 43.087 42.059 -0.035 0.000 1.249 2 L HN 0.158 nan 8.230 nan 0.000 0.431 3 P HA 0.046 nan 4.420 nan 0.000 0.265 3 P C -0.583 176.703 177.300 -0.024 0.000 1.193 3 P CA -0.301 62.787 63.100 -0.021 0.000 0.765 3 P CB 0.493 32.181 31.700 -0.019 0.000 0.823 4 E N 2.920 123.108 120.200 -0.020 0.000 2.376 4 E HA 0.040 4.391 4.350 0.000 0.000 0.266 4 E C 0.507 177.094 176.600 -0.020 0.000 1.009 4 E CA 0.620 57.008 56.400 -0.021 0.000 0.902 4 E CB -0.139 29.552 29.700 -0.015 0.000 0.972 4 E HN 0.395 nan 8.360 nan 0.000 0.439 5 N N 1.953 120.638 118.700 -0.025 0.000 2.990 5 N HA -0.199 4.541 4.740 0.000 0.000 0.163 5 N C -0.159 175.331 175.510 -0.034 0.000 1.452 5 N CA 0.654 53.691 53.050 -0.022 0.000 1.624 5 N CB -1.159 37.319 38.487 -0.014 0.000 1.088 5 N HN 0.583 nan 8.380 nan 0.000 0.695 6 M N 2.842 122.416 119.600 -0.043 0.000 2.248 6 M HA 0.066 4.546 4.480 0.000 0.000 0.345 6 M C -0.452 175.789 176.300 -0.098 0.000 1.243 6 M CA 0.666 55.930 55.300 -0.061 0.000 1.090 6 M CB 0.410 32.976 32.600 -0.057 0.000 1.683 6 M HN -0.122 nan 8.290 nan 0.000 0.450 7 K N 5.196 125.519 120.400 -0.129 0.000 2.259 7 K HA 0.538 4.858 4.320 0.000 0.000 0.252 7 K C -1.123 175.275 176.600 -0.336 0.000 0.936 7 K CA -0.575 55.559 56.287 -0.254 0.000 0.810 7 K CB 2.197 34.572 32.500 -0.209 0.000 1.143 7 K HN 0.770 nan 8.250 nan 0.000 0.427 8 R N 2.144 122.332 120.500 -0.519 0.000 2.604 8 R HA 0.422 4.762 4.340 0.000 0.000 0.281 8 R C -1.483 174.466 176.300 -0.584 0.000 1.020 8 R CA -0.529 55.322 56.100 -0.414 0.000 0.899 8 R CB 1.207 31.389 30.300 -0.198 0.000 1.205 8 R HN 0.601 nan 8.270 nan 0.000 0.450 9 Y N 4.284 124.577 120.300 -0.013 0.000 2.512 9 Y HA 0.594 5.144 4.550 0.000 0.000 0.348 9 Y C 0.154 176.058 175.900 0.007 0.000 0.990 9 Y CA -1.073 57.031 58.100 0.006 0.000 1.033 9 Y CB 2.376 40.852 38.460 0.027 0.000 1.259 9 Y HN 0.409 nan 8.280 nan 0.000 0.461 10 M N 0.857 120.554 119.600 0.162 0.000 2.520 10 M HA 0.772 5.252 4.480 0.000 0.000 0.280 10 M C 0.052 176.394 176.300 0.070 0.000 1.232 10 M CA -0.181 55.171 55.300 0.087 0.000 0.892 10 M CB 1.224 33.852 32.600 0.046 0.000 1.728 10 M HN 0.898 nan 8.290 nan 0.000 0.475 11 G N 2.712 111.538 108.800 0.045 0.000 2.622 11 G HA2 -0.378 3.582 3.960 0.000 0.000 0.307 11 G HA3 -0.378 3.582 3.960 0.000 0.000 0.307 11 G C 0.642 175.556 174.900 0.022 0.000 1.226 11 G CA 1.334 46.448 45.100 0.024 0.000 0.997 11 G HN 1.189 nan 8.290 nan 0.000 0.551 12 R N 0.363 120.873 120.500 0.016 0.000 2.096 12 R HA -0.070 4.270 4.340 0.000 0.000 0.235 12 R C 2.155 178.467 176.300 0.020 0.000 1.127 12 R CA 2.199 58.304 56.100 0.009 0.000 0.968 12 R CB -0.405 29.898 30.300 0.005 0.000 0.861 12 R HN 0.612 nan 8.270 nan 0.000 0.440 13 D N 0.044 120.474 120.400 0.050 0.000 2.183 13 D HA -0.074 4.566 4.640 0.000 0.000 0.203 13 D C 1.701 178.034 176.300 0.056 0.000 0.969 13 D CA 1.224 55.267 54.000 0.071 0.000 0.842 13 D CB -0.061 40.833 40.800 0.156 0.000 0.957 13 D HN 0.374 nan 8.370 nan 0.000 0.484 14 A N 1.228 124.107 122.820 0.099 0.000 1.877 14 A HA -0.191 4.129 4.320 0.000 0.000 0.216 14 A C 2.155 179.759 177.584 0.034 0.000 1.186 14 A CA 1.177 53.274 52.037 0.100 0.000 0.620 14 A CB -0.360 18.706 19.000 0.111 0.000 0.822 14 A HN 0.067 nan 8.150 nan 0.000 0.443 15 Q N -0.707 119.103 119.800 0.017 0.000 2.079 15 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 15 Q C 2.266 178.251 176.000 -0.026 0.000 0.974 15 Q CA 1.606 57.407 55.803 -0.003 0.000 0.840 15 Q CB -0.379 28.353 28.738 -0.010 0.000 0.898 15 Q HN 0.758 nan 8.270 nan 0.000 0.430 16 R N -0.158 120.321 120.500 -0.035 0.000 2.066 16 R HA -0.060 4.280 4.340 0.000 0.000 0.232 16 R C 2.156 178.395 176.300 -0.103 0.000 1.131 16 R CA 1.095 57.161 56.100 -0.056 0.000 0.955 16 R CB 0.049 30.322 30.300 -0.045 0.000 0.851 16 R HN 0.135 nan 8.270 nan 0.000 0.432 17 M N 0.763 120.276 119.600 -0.145 0.000 2.229 17 M HA -0.104 4.376 4.480 0.000 0.000 0.264 17 M C 1.646 177.785 176.300 -0.268 0.000 1.063 17 M CA 1.411 56.568 55.300 -0.238 0.000 1.114 17 M CB -1.095 31.249 32.600 -0.426 0.000 1.387 17 M HN 0.293 nan 8.290 nan 0.000 0.420 18 N N 0.223 118.842 118.700 -0.135 0.000 2.171 18 N HA -0.058 4.682 4.740 0.000 0.000 0.184 18 N C 1.834 177.265 175.510 -0.132 0.000 1.021 18 N CA 1.050 54.029 53.050 -0.117 0.000 0.854 18 N CB 0.083 38.576 38.487 0.009 0.000 0.994 18 N HN 0.297 nan 8.380 nan 0.000 0.426 19 I N 0.904 121.419 120.570 -0.091 0.000 2.286 19 I HA -0.232 3.938 4.170 0.000 0.000 0.248 19 I C 1.902 177.959 176.117 -0.099 0.000 1.115 19 I CA 0.709 61.967 61.300 -0.070 0.000 1.392 19 I CB -0.027 37.948 38.000 -0.042 0.000 1.065 19 I HN 0.076 nan 8.210 nan 0.000 0.418 20 L N 0.715 121.858 121.223 -0.133 0.000 2.005 20 L HA -0.143 4.197 4.340 0.000 0.000 0.207 20 L C 2.728 179.493 176.870 -0.176 0.000 1.072 20 L CA 2.191 56.948 54.840 -0.138 0.000 0.744 20 L CB -1.312 40.661 42.059 -0.143 0.000 0.895 20 L HN 0.190 nan 8.230 nan 0.000 0.433 21 A N -0.578 122.065 122.820 -0.295 0.000 1.917 21 A HA -0.169 4.151 4.320 0.000 0.000 0.219 21 A C 2.398 179.870 177.584 -0.188 0.000 1.182 21 A CA 1.956 53.789 52.037 -0.341 0.000 0.633 21 A CB -1.417 17.133 19.000 -0.750 0.000 0.819 21 A HN 0.463 nan 8.150 nan 0.000 0.448 22 G N -0.902 107.806 108.800 -0.154 0.000 2.404 22 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 22 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 22 G C 1.751 176.609 174.900 -0.071 0.000 1.174 22 G CA 1.019 46.068 45.100 -0.086 0.000 0.780 22 G HN 0.566 nan 8.290 nan 0.000 0.537 23 R N 0.014 120.470 120.500 -0.074 0.000 2.092 23 R HA 0.068 4.408 4.340 0.000 0.000 0.231 23 R C 2.541 178.806 176.300 -0.059 0.000 1.119 23 R CA 0.912 56.975 56.100 -0.061 0.000 0.970 23 R CB -0.315 29.951 30.300 -0.057 0.000 0.864 23 R HN 0.424 nan 8.270 nan 0.000 0.440 24 I N 0.731 121.259 120.570 -0.070 0.000 2.208 24 I HA -0.311 3.859 4.170 0.000 0.000 0.245 24 I C 2.043 178.132 176.117 -0.047 0.000 1.097 24 I CA 0.923 62.187 61.300 -0.059 0.000 1.363 24 I CB -0.211 37.747 38.000 -0.070 0.000 1.051 24 I HN 0.212 nan 8.210 nan 0.000 0.413 25 I N 1.026 121.567 120.570 -0.049 0.000 2.179 25 I HA -0.276 3.894 4.170 0.000 0.000 0.242 25 I C 2.857 178.954 176.117 -0.033 0.000 1.088 25 I CA 1.768 63.047 61.300 -0.035 0.000 1.357 25 I CB -1.530 36.451 38.000 -0.032 0.000 1.051 25 I HN 0.192 nan 8.210 nan 0.000 0.409 26 A N 0.282 123.079 122.820 -0.039 0.000 1.933 26 A HA -0.186 4.134 4.320 0.000 0.000 0.218 26 A C 2.159 179.721 177.584 -0.036 0.000 1.175 26 A CA 1.371 53.385 52.037 -0.038 0.000 0.628 26 A CB -0.414 18.559 19.000 -0.044 0.000 0.814 26 A HN 0.369 nan 8.150 nan 0.000 0.444 27 E N -0.458 119.720 120.200 -0.037 0.000 2.106 27 E HA -0.106 4.244 4.350 0.000 0.000 0.192 27 E C 2.085 178.668 176.600 -0.029 0.000 0.984 27 E CA 1.614 57.993 56.400 -0.033 0.000 0.806 27 E CB -0.655 29.025 29.700 -0.034 0.000 0.750 27 E HN 0.601 nan 8.360 nan 0.000 0.458 28 T N 1.047 115.585 114.554 -0.027 0.000 2.770 28 T HA -0.091 4.259 4.350 0.000 0.000 0.263 28 T C 2.124 176.812 174.700 -0.020 0.000 1.039 28 T CA 1.638 63.725 62.100 -0.022 0.000 1.142 28 T CB -0.111 68.746 68.868 -0.018 0.000 0.868 28 T HN 0.200 nan 8.240 nan 0.000 0.435 29 V N 1.879 121.780 119.914 -0.022 0.000 2.788 29 V HA 0.050 4.170 4.120 0.000 0.000 0.251 29 V C 2.345 178.425 176.094 -0.023 0.000 1.068 29 V CA 1.125 63.413 62.300 -0.020 0.000 1.090 29 V CB -0.891 30.921 31.823 -0.019 0.000 0.710 29 V HN 0.464 nan 8.190 nan 0.000 0.467 30 R N 2.719 123.202 120.500 -0.028 0.000 2.193 30 R HA -0.078 4.262 4.340 0.000 0.000 0.229 30 R C 2.009 178.291 176.300 -0.030 0.000 1.110 30 R CA 1.666 57.748 56.100 -0.031 0.000 0.988 30 R CB -1.065 29.214 30.300 -0.035 0.000 0.871 30 R HN 0.681 nan 8.270 nan 0.000 0.458 31 S N 0.186 115.869 115.700 -0.027 0.000 2.555 31 S HA -0.077 4.393 4.470 0.000 0.000 0.230 31 S C 1.693 176.277 174.600 -0.026 0.000 0.978 31 S CA 0.785 58.969 58.200 -0.027 0.000 0.934 31 S CB 0.061 63.247 63.200 -0.024 0.000 0.766 31 S HN 0.588 nan 8.310 nan 0.000 0.533 32 T N -1.170 113.370 114.554 -0.024 0.000 3.014 32 T HA 0.328 4.678 4.350 0.000 0.000 0.250 32 T C 0.391 175.077 174.700 -0.024 0.000 1.060 32 T CA -0.452 61.636 62.100 -0.021 0.000 1.040 32 T CB -0.438 68.421 68.868 -0.015 0.000 0.971 32 T HN 0.266 nan 8.240 nan 0.000 0.497 33 L N 2.759 123.966 121.223 -0.028 0.000 2.410 33 L HA 0.557 4.897 4.340 0.000 0.000 0.273 33 L C 0.636 177.482 176.870 -0.040 0.000 1.152 33 L CA 1.557 56.379 54.840 -0.030 0.000 0.855 33 L CB -0.371 41.669 42.059 -0.031 0.000 1.129 33 L HN 0.735 nan 8.230 nan 0.000 0.463 34 G N 3.938 112.714 108.800 -0.040 0.000 2.662 34 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 34 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 34 G C -2.146 172.706 174.900 -0.079 0.000 1.271 34 G CA -0.459 44.604 45.100 -0.062 0.000 0.816 34 G HN 0.488 nan 8.290 nan 0.000 0.608 35 P HA -0.024 nan 4.420 nan 0.000 0.217 35 P C 1.444 178.651 177.300 -0.154 0.000 1.148 35 P CA 1.490 64.478 63.100 -0.187 0.000 0.828 35 P CB 0.047 31.440 31.700 -0.512 0.000 0.783 36 K N -1.011 119.300 120.400 -0.150 0.000 2.410 36 K HA 0.243 4.563 4.320 0.000 0.000 0.200 36 K C 1.035 177.594 176.600 -0.069 0.000 1.023 36 K CA -0.182 56.042 56.287 -0.105 0.000 1.149 36 K CB -0.128 32.306 32.500 -0.111 0.000 0.859 36 K HN 0.040 nan 8.250 nan 0.000 0.514 37 G N 0.532 109.295 108.800 -0.061 0.000 2.527 37 G HA2 0.200 4.160 3.960 0.000 0.000 0.248 37 G HA3 0.200 4.160 3.960 0.000 0.000 0.248 37 G C -0.020 174.861 174.900 -0.032 0.000 1.231 37 G CA -0.421 44.654 45.100 -0.042 0.000 0.838 37 G HN -0.054 nan 8.290 nan 0.000 0.570 38 M N 0.155 119.739 119.600 -0.026 0.000 2.531 38 M HA 0.427 4.907 4.480 0.000 0.000 0.262 38 M C -0.609 175.682 176.300 -0.015 0.000 1.168 38 M CA -0.546 54.742 55.300 -0.020 0.000 0.926 38 M CB 1.384 33.971 32.600 -0.021 0.000 1.445 38 M HN 0.351 nan 8.290 nan 0.000 0.531 39 D N 0.331 120.724 120.400 -0.013 0.000 2.374 39 D HA 0.505 5.145 4.640 0.000 0.000 0.239 39 D C -0.624 175.669 176.300 -0.011 0.000 0.991 39 D CA -0.415 53.580 54.000 -0.009 0.000 0.960 39 D CB 1.382 42.179 40.800 -0.005 0.000 1.284 39 D HN 0.100 nan 8.370 nan 0.000 0.512 40 K N 0.682 121.078 120.400 -0.007 0.000 2.259 40 K HA 0.503 4.823 4.320 0.000 0.000 0.249 40 K C -0.678 175.918 176.600 -0.007 0.000 0.942 40 K CA -0.669 55.614 56.287 -0.007 0.000 0.816 40 K CB 2.320 34.817 32.500 -0.004 0.000 1.155 40 K HN 0.438 nan 8.250 nan 0.000 0.428 41 M N 3.626 123.219 119.600 -0.012 0.000 2.046 41 M HA 0.287 4.767 4.480 0.000 0.000 0.309 41 M C -1.682 174.615 176.300 -0.004 0.000 0.935 41 M CA -0.962 54.329 55.300 -0.015 0.000 0.915 41 M CB 0.532 33.111 32.600 -0.035 0.000 1.474 41 M HN 0.348 nan 8.290 nan 0.000 0.415 42 L N 6.000 127.228 121.223 0.009 0.000 2.280 42 L HA 0.529 4.869 4.340 0.000 0.000 0.287 42 L C -0.859 176.024 176.870 0.021 0.000 1.023 42 L CA -0.332 54.516 54.840 0.013 0.000 0.819 42 L CB 1.758 43.826 42.059 0.016 0.000 1.212 42 L HN 0.408 nan 8.230 nan 0.000 0.420 43 V N 2.829 122.752 119.914 0.015 0.000 2.378 43 V HA 0.342 4.462 4.120 0.000 0.000 0.288 43 V C -0.152 175.953 176.094 0.017 0.000 1.016 43 V CA -0.959 61.353 62.300 0.019 0.000 0.840 43 V CB 1.397 33.228 31.823 0.013 0.000 0.994 43 V HN 0.798 nan 8.190 nan 0.000 0.431 44 D N 3.554 123.966 120.400 0.021 0.000 2.380 44 D HA -0.008 4.632 4.640 0.000 0.000 0.254 44 D C 1.042 177.351 176.300 0.014 0.000 1.288 44 D CA -0.218 53.792 54.000 0.017 0.000 1.008 44 D CB 0.480 41.290 40.800 0.017 0.000 1.099 44 D HN 0.562 nan 8.370 nan 0.000 0.537 45 D N -0.885 119.522 120.400 0.012 0.000 2.371 45 D HA -0.121 4.519 4.640 0.000 0.000 0.221 45 D C 1.595 177.901 176.300 0.011 0.000 0.986 45 D CA 0.494 54.501 54.000 0.011 0.000 0.899 45 D CB -0.165 40.640 40.800 0.010 0.000 0.902 45 D HN 0.390 nan 8.370 nan 0.000 0.530 46 L N -0.943 120.287 121.223 0.012 0.000 2.590 46 L HA 0.322 4.662 4.340 0.000 0.000 0.227 46 L C 1.749 178.628 176.870 0.015 0.000 1.099 46 L CA 0.494 55.341 54.840 0.012 0.000 0.872 46 L CB 0.339 42.406 42.059 0.012 0.000 1.088 46 L HN 0.287 nan 8.230 nan 0.000 0.479 47 G N -0.231 108.579 108.800 0.017 0.000 2.201 47 G HA2 -0.247 3.713 3.960 0.000 0.000 0.212 47 G HA3 -0.247 3.713 3.960 0.000 0.000 0.212 47 G C 0.061 174.979 174.900 0.030 0.000 0.994 47 G CA -0.063 45.049 45.100 0.020 0.000 0.644 47 G HN 0.305 nan 8.290 nan 0.000 0.508 48 D N 1.282 121.701 120.400 0.032 0.000 2.434 48 D HA 0.376 5.016 4.640 0.000 0.000 0.252 48 D C 0.523 176.860 176.300 0.062 0.000 1.185 48 D CA 0.240 54.267 54.000 0.044 0.000 0.886 48 D CB 1.086 41.905 40.800 0.031 0.000 1.148 48 D HN 0.230 nan 8.370 nan 0.000 0.483 49 V N 4.885 124.863 119.914 0.107 0.000 2.370 49 V HA 0.260 4.380 4.120 0.000 0.000 0.279 49 V C 0.230 176.466 176.094 0.237 0.000 1.029 49 V CA -0.833 61.547 62.300 0.134 0.000 0.870 49 V CB 1.618 33.502 31.823 0.103 0.000 0.984 49 V HN 0.327 nan 8.190 nan 0.000 0.451 50 V N 6.019 126.013 119.914 0.134 0.000 2.357 50 V HA 0.422 4.542 4.120 0.000 0.000 0.284 50 V C -0.161 175.997 176.094 0.107 0.000 1.018 50 V CA -0.507 61.875 62.300 0.137 0.000 0.841 50 V CB 1.802 33.668 31.823 0.071 0.000 0.991 50 V HN 0.606 nan 8.190 nan 0.000 0.437 51 V N 4.670 124.689 119.914 0.173 0.000 2.350 51 V HA 0.710 4.830 4.120 0.000 0.000 0.285 51 V C 0.074 176.217 176.094 0.083 0.000 1.014 51 V CA 0.027 62.371 62.300 0.075 0.000 0.831 51 V CB 1.552 33.364 31.823 -0.018 0.000 1.000 51 V HN 0.979 nan 8.190 nan 0.000 0.433 52 T N 2.717 117.297 114.554 0.043 0.000 2.792 52 T HA 0.334 4.684 4.350 0.000 0.000 0.303 52 T C 0.150 174.861 174.700 0.017 0.000 1.310 52 T CA -0.342 61.778 62.100 0.034 0.000 1.007 52 T CB 2.140 71.028 68.868 0.032 0.000 1.335 52 T HN 0.560 nan 8.240 nan 0.000 0.504 53 N N 0.285 118.994 118.700 0.014 0.000 2.257 53 N HA 0.118 4.858 4.740 0.000 0.000 0.200 53 N C -0.805 174.707 175.510 0.004 0.000 1.163 53 N CA 0.083 53.136 53.050 0.006 0.000 0.891 53 N CB 0.463 38.953 38.487 0.005 0.000 1.067 53 N HN 0.610 nan 8.380 nan 0.000 0.497 54 D N -0.010 120.395 120.400 0.008 0.000 2.401 54 D HA 0.157 4.797 4.640 0.000 0.000 0.254 54 D C 1.369 177.671 176.300 0.003 0.000 1.192 54 D CA 0.211 54.214 54.000 0.005 0.000 0.885 54 D CB 1.116 41.921 40.800 0.008 0.000 1.147 54 D HN 0.250 nan 8.370 nan 0.000 0.478 55 G N 1.625 110.424 108.800 -0.001 0.000 2.421 55 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 55 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 55 G C 1.537 176.436 174.900 -0.001 0.000 1.171 55 G CA 0.326 45.424 45.100 -0.003 0.000 0.775 55 G HN 0.461 nan 8.290 nan 0.000 0.543 56 V N 0.827 120.741 119.914 0.000 0.000 2.490 56 V HA -0.129 3.991 4.120 0.000 0.000 0.250 56 V C 2.925 179.021 176.094 0.005 0.000 1.061 56 V CA 2.878 65.180 62.300 0.002 0.000 1.064 56 V CB -0.615 31.210 31.823 0.002 0.000 0.670 56 V HN 0.403 nan 8.190 nan 0.000 0.461 57 T N 0.536 115.093 114.554 0.006 0.000 2.812 57 T HA -0.045 4.305 4.350 0.000 0.000 0.264 57 T C 1.759 176.465 174.700 0.009 0.000 1.042 57 T CA 1.912 64.017 62.100 0.008 0.000 1.140 57 T CB -0.261 68.613 68.868 0.010 0.000 0.870 57 T HN 0.474 nan 8.240 nan 0.000 0.445 58 I N 0.652 121.227 120.570 0.008 0.000 2.264 58 I HA -0.149 4.021 4.170 0.000 0.000 0.248 58 I C 2.013 178.134 176.117 0.007 0.000 1.111 58 I CA 0.915 62.219 61.300 0.007 0.000 1.382 58 I CB -0.271 37.731 38.000 0.003 0.000 1.060 58 I HN 0.163 nan 8.210 nan 0.000 0.418 59 L N 0.230 121.456 121.223 0.005 0.000 2.156 59 L HA -0.100 4.240 4.340 0.000 0.000 0.208 59 L C 2.523 179.399 176.870 0.009 0.000 1.095 59 L CA 1.616 56.460 54.840 0.006 0.000 0.770 59 L CB -0.765 41.297 42.059 0.004 0.000 0.914 59 L HN 0.095 nan 8.230 nan 0.000 0.439 60 R N -0.850 119.655 120.500 0.009 0.000 2.075 60 R HA -0.097 4.243 4.340 0.000 0.000 0.232 60 R C 2.033 178.340 176.300 0.011 0.000 1.126 60 R CA 0.956 57.062 56.100 0.010 0.000 0.963 60 R CB -0.111 30.194 30.300 0.009 0.000 0.858 60 R HN 0.319 nan 8.270 nan 0.000 0.435 61 E N 0.874 121.081 120.200 0.012 0.000 2.086 61 E HA -0.060 4.290 4.350 0.000 0.000 0.190 61 E C 1.223 177.831 176.600 0.013 0.000 0.975 61 E CA 0.502 56.910 56.400 0.013 0.000 0.813 61 E CB -0.125 29.584 29.700 0.015 0.000 0.768 61 E HN 0.355 nan 8.360 nan 0.000 0.457 62 M N -0.037 119.570 119.600 0.012 0.000 2.240 62 M HA 0.091 4.571 4.480 0.000 0.000 0.317 62 M C 0.509 176.818 176.300 0.014 0.000 1.087 62 M CA 0.356 55.663 55.300 0.012 0.000 1.176 62 M CB 0.541 33.147 32.600 0.010 0.000 1.439 62 M HN -0.257 nan 8.290 nan 0.000 0.452 63 S N 2.204 117.913 115.700 0.015 0.000 2.473 63 S HA 0.439 4.909 4.470 0.000 0.000 0.312 63 S C -0.730 173.884 174.600 0.023 0.000 1.087 63 S CA -0.790 57.421 58.200 0.018 0.000 1.077 63 S CB -0.281 62.929 63.200 0.017 0.000 1.065 63 S HN 0.516 nan 8.310 nan 0.000 0.510 64 V N 5.667 125.597 119.914 0.027 0.000 2.439 64 V HA 0.399 4.519 4.120 0.000 0.000 0.282 64 V C 0.721 176.843 176.094 0.047 0.000 1.039 64 V CA -0.379 61.944 62.300 0.038 0.000 0.913 64 V CB 1.637 33.483 31.823 0.038 0.000 0.983 64 V HN 0.779 nan 8.190 nan 0.000 0.460 65 E N 1.087 121.326 120.200 0.065 0.000 2.256 65 E HA 0.084 4.434 4.350 0.000 0.000 0.198 65 E C 0.726 177.375 176.600 0.082 0.000 0.908 65 E CA 0.072 56.509 56.400 0.062 0.000 0.915 65 E CB 0.001 29.736 29.700 0.058 0.000 0.890 65 E HN 0.692 nan 8.360 nan 0.000 0.484 66 H N 2.794 121.880 119.070 0.028 0.000 2.886 66 H HA 0.024 4.580 4.556 0.000 0.000 0.329 66 H C -1.713 173.631 175.328 0.027 0.000 1.044 66 H CA -1.269 54.799 56.048 0.033 0.000 1.456 66 H CB 1.448 31.214 29.762 0.007 0.000 1.464 66 H HN -0.191 nan 8.280 nan 0.000 0.573 67 P HA -0.125 nan 4.420 nan 0.000 0.218 67 P C 1.050 178.468 177.300 0.197 0.000 1.148 67 P CA 1.942 65.096 63.100 0.091 0.000 0.822 67 P CB 0.146 31.848 31.700 0.004 0.000 0.784 68 A N 0.004 123.083 122.820 0.431 0.000 1.898 68 A HA -0.045 4.275 4.320 0.000 0.000 0.216 68 A C 2.315 179.950 177.584 0.084 0.000 1.181 68 A CA 1.884 54.043 52.037 0.204 0.000 0.620 68 A CB -1.540 17.512 19.000 0.086 0.000 0.819 68 A HN 0.187 nan 8.150 nan 0.000 0.442 69 A N -0.117 122.751 122.820 0.080 0.000 1.972 69 A HA -0.136 4.184 4.320 0.000 0.000 0.219 69 A C 2.071 179.682 177.584 0.045 0.000 1.169 69 A CA 1.727 53.782 52.037 0.029 0.000 0.635 69 A CB -0.390 18.624 19.000 0.023 0.000 0.810 69 A HN 0.546 nan 8.150 nan 0.000 0.446 70 K N -0.974 119.469 120.400 0.070 0.000 2.097 70 K HA -0.058 4.262 4.320 0.000 0.000 0.205 70 K C 1.890 178.514 176.600 0.041 0.000 1.050 70 K CA 1.342 57.659 56.287 0.051 0.000 0.938 70 K CB -0.207 32.325 32.500 0.053 0.000 0.718 70 K HN 0.358 nan 8.250 nan 0.000 0.442 71 M N 0.593 120.222 119.600 0.048 0.000 2.254 71 M HA -0.066 4.414 4.480 0.000 0.000 0.265 71 M C 2.152 178.467 176.300 0.026 0.000 1.066 71 M CA 1.132 56.454 55.300 0.037 0.000 1.123 71 M CB -0.656 31.971 32.600 0.043 0.000 1.388 71 M HN 0.204 nan 8.290 nan 0.000 0.425 72 L N 0.108 121.344 121.223 0.021 0.000 2.083 72 L HA -0.201 4.139 4.340 0.000 0.000 0.209 72 L C 2.216 179.091 176.870 0.009 0.000 1.083 72 L CA 1.036 55.882 54.840 0.010 0.000 0.752 72 L CB -0.164 41.894 42.059 -0.002 0.000 0.899 72 L HN 0.189 nan 8.230 nan 0.000 0.433 73 I N -0.449 120.129 120.570 0.013 0.000 2.286 73 I HA -0.283 3.887 4.170 0.000 0.000 0.248 73 I C 2.439 178.563 176.117 0.012 0.000 1.115 73 I CA 1.008 62.315 61.300 0.012 0.000 1.392 73 I CB -0.319 37.691 38.000 0.015 0.000 1.065 73 I HN 0.277 nan 8.210 nan 0.000 0.418 74 E N 0.470 120.679 120.200 0.015 0.000 2.110 74 E HA -0.156 4.194 4.350 0.000 0.000 0.193 74 E C 2.430 179.038 176.600 0.012 0.000 0.988 74 E CA 1.110 57.519 56.400 0.014 0.000 0.804 74 E CB -0.273 29.437 29.700 0.018 0.000 0.745 74 E HN 0.357 nan 8.360 nan 0.000 0.458 75 V N 1.536 121.458 119.914 0.012 0.000 2.358 75 V HA -0.231 3.889 4.120 0.000 0.000 0.246 75 V C 2.462 178.560 176.094 0.006 0.000 1.047 75 V CA 1.771 64.076 62.300 0.010 0.000 1.035 75 V CB -0.819 31.009 31.823 0.009 0.000 0.658 75 V HN 0.242 nan 8.190 nan 0.000 0.452 76 A N -0.353 122.469 122.820 0.004 0.000 1.933 76 A HA -0.217 4.103 4.320 0.000 0.000 0.218 76 A C 2.284 179.870 177.584 0.004 0.000 1.175 76 A CA 1.802 53.840 52.037 0.002 0.000 0.628 76 A CB -0.396 18.604 19.000 0.001 0.000 0.814 76 A HN 0.542 nan 8.150 nan 0.000 0.444 77 K N -0.940 119.463 120.400 0.006 0.000 2.148 77 K HA -0.062 4.258 4.320 0.000 0.000 0.204 77 K C 1.988 178.591 176.600 0.005 0.000 1.050 77 K CA 1.515 57.806 56.287 0.006 0.000 0.942 77 K CB -0.278 32.227 32.500 0.007 0.000 0.724 77 K HN 0.451 nan 8.250 nan 0.000 0.446 78 T N 1.419 115.977 114.554 0.006 0.000 2.777 78 T HA -0.115 4.235 4.350 0.000 0.000 0.266 78 T C 1.810 176.513 174.700 0.005 0.000 1.040 78 T CA 1.007 63.110 62.100 0.006 0.000 1.141 78 T CB -0.032 68.841 68.868 0.008 0.000 0.868 78 T HN 0.158 nan 8.240 nan 0.000 0.444 79 Q N 0.744 120.547 119.800 0.004 0.000 2.124 79 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 79 Q C 2.349 178.350 176.000 0.002 0.000 0.977 79 Q CA 1.323 57.127 55.803 0.002 0.000 0.850 79 Q CB -0.409 28.330 28.738 0.000 0.000 0.901 79 Q HN 0.553 nan 8.270 nan 0.000 0.429 80 E N 1.371 121.573 120.200 0.002 0.000 2.051 80 E HA -0.172 4.178 4.350 0.000 0.000 0.192 80 E C 1.899 178.500 176.600 0.002 0.000 0.991 80 E CA 1.388 57.789 56.400 0.002 0.000 0.799 80 E CB -0.077 29.625 29.700 0.002 0.000 0.748 80 E HN 0.055 nan 8.360 nan 0.000 0.449 81 K N 0.057 120.459 120.400 0.002 0.000 2.057 81 K HA -0.147 4.173 4.320 0.000 0.000 0.206 81 K C 1.786 178.387 176.600 0.001 0.000 1.050 81 K CA 1.379 57.666 56.287 0.001 0.000 0.935 81 K CB 0.008 32.509 32.500 0.002 0.000 0.715 81 K HN 0.155 nan 8.250 nan 0.000 0.439 82 E N 0.071 120.272 120.200 0.002 0.000 2.033 82 E HA -0.095 4.255 4.350 0.000 0.000 0.189 82 E C 1.994 178.595 176.600 0.001 0.000 0.979 82 E CA 1.687 58.088 56.400 0.002 0.000 0.802 82 E CB 0.147 29.849 29.700 0.003 0.000 0.763 82 E HN 0.340 nan 8.360 nan 0.000 0.449 83 V N -4.823 115.092 119.914 0.001 0.000 3.562 83 V HA 0.520 4.640 4.120 0.000 0.000 0.270 83 V C 1.390 177.484 176.094 0.001 0.000 1.418 83 V CA 0.856 63.157 62.300 0.001 0.000 1.033 83 V CB 0.646 32.470 31.823 0.002 0.000 0.820 83 V HN 0.301 nan 8.190 nan 0.000 0.441 84 G N 0.761 109.562 108.800 0.001 0.000 4.365 84 G HA2 -0.277 3.683 3.960 0.000 0.000 0.214 84 G HA3 -0.277 3.683 3.960 0.000 0.000 0.214 84 G C 0.161 175.062 174.900 0.002 0.000 1.450 84 G CA 0.505 45.606 45.100 0.001 0.000 0.937 84 G HN 0.627 nan 8.290 nan 0.000 0.625 85 D N 1.169 121.570 120.400 0.003 0.000 2.506 85 D HA 0.485 5.125 4.640 0.000 0.000 0.272 85 D C 1.555 177.856 176.300 0.001 0.000 1.214 85 D CA 1.171 55.172 54.000 0.003 0.000 1.067 85 D CB 0.658 41.461 40.800 0.006 0.000 1.117 85 D HN 1.621 nan 8.370 nan 0.000 0.578 86 G N -0.493 108.307 108.800 -0.000 0.000 2.162 86 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 86 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 86 G C 1.091 175.987 174.900 -0.007 0.000 0.976 86 G CA 1.633 46.731 45.100 -0.004 0.000 0.655 86 G HN 0.614 nan 8.290 nan 0.000 0.533 87 T N -2.488 112.062 114.554 -0.006 0.000 2.674 87 T HA -0.121 4.229 4.350 0.000 0.000 0.265 87 T C 2.241 176.934 174.700 -0.012 0.000 1.039 87 T CA 2.558 64.654 62.100 -0.007 0.000 1.150 87 T CB -0.809 68.057 68.868 -0.004 0.000 0.864 87 T HN 0.355 nan 8.240 nan 0.000 0.427 88 T N 2.446 116.993 114.554 -0.012 0.000 2.720 88 T HA -0.127 4.223 4.350 0.000 0.000 0.268 88 T C 2.435 177.120 174.700 -0.025 0.000 1.037 88 T CA 2.144 64.234 62.100 -0.018 0.000 1.144 88 T CB -1.039 67.819 68.868 -0.016 0.000 0.864 88 T HN 0.843 nan 8.240 nan 0.000 0.444 89 T N 0.767 115.307 114.554 -0.024 0.000 2.867 89 T HA 0.100 4.450 4.350 0.000 0.000 0.268 89 T C 2.245 176.922 174.700 -0.039 0.000 1.057 89 T CA 1.018 63.099 62.100 -0.033 0.000 1.136 89 T CB -0.494 68.357 68.868 -0.028 0.000 0.874 89 T HN 0.335 nan 8.240 nan 0.000 0.466 90 A N 1.084 123.886 122.820 -0.030 0.000 1.898 90 A HA 0.128 4.448 4.320 0.000 0.000 0.216 90 A C 2.606 180.169 177.584 -0.035 0.000 1.181 90 A CA 1.473 53.491 52.037 -0.031 0.000 0.620 90 A CB -0.959 18.030 19.000 -0.018 0.000 0.819 90 A HN 0.426 nan 8.150 nan 0.000 0.442 91 V N -0.543 119.353 119.914 -0.031 0.000 2.358 91 V HA -0.191 3.929 4.120 0.000 0.000 0.246 91 V C 2.548 178.616 176.094 -0.044 0.000 1.047 91 V CA 1.847 64.128 62.300 -0.032 0.000 1.035 91 V CB -0.723 31.085 31.823 -0.025 0.000 0.658 91 V HN 0.353 nan 8.190 nan 0.000 0.452 92 V N -0.567 119.318 119.914 -0.047 0.000 2.307 92 V HA -0.197 3.924 4.120 0.000 0.000 0.245 92 V C 2.449 178.499 176.094 -0.074 0.000 1.045 92 V CA 2.049 64.316 62.300 -0.055 0.000 1.024 92 V CB -0.257 31.535 31.823 -0.051 0.000 0.651 92 V HN 0.416 nan 8.190 nan 0.000 0.449 93 V N -0.006 119.857 119.914 -0.086 0.000 2.515 93 V HA -0.168 3.952 4.120 0.000 0.000 0.250 93 V C 2.505 178.514 176.094 -0.141 0.000 1.058 93 V CA 1.958 64.182 62.300 -0.126 0.000 1.064 93 V CB -0.209 31.530 31.823 -0.138 0.000 0.675 93 V HN 0.521 nan 8.190 nan 0.000 0.461 94 A N -0.223 122.537 122.820 -0.100 0.000 1.929 94 A HA 0.036 4.356 4.320 0.000 0.000 0.216 94 A C 2.325 179.869 177.584 -0.067 0.000 1.176 94 A CA 1.585 53.574 52.037 -0.080 0.000 0.628 94 A CB -1.133 17.839 19.000 -0.046 0.000 0.816 94 A HN 0.586 nan 8.150 nan 0.000 0.444 95 G N -0.371 108.391 108.800 -0.064 0.000 2.418 95 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 95 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 95 G C 1.472 176.337 174.900 -0.059 0.000 1.158 95 G CA 1.311 46.377 45.100 -0.055 0.000 0.771 95 G HN 0.555 nan 8.290 nan 0.000 0.545 96 E N -0.037 120.116 120.200 -0.077 0.000 2.107 96 E HA -0.034 4.316 4.350 0.000 0.000 0.191 96 E C 2.280 178.826 176.600 -0.090 0.000 0.982 96 E CA 0.385 56.736 56.400 -0.082 0.000 0.809 96 E CB -0.396 29.244 29.700 -0.101 0.000 0.756 96 E HN 0.251 nan 8.360 nan 0.000 0.459 97 L N 0.155 121.299 121.223 -0.131 0.000 2.083 97 L HA -0.087 4.253 4.340 0.000 0.000 0.209 97 L C 1.996 178.862 176.870 -0.007 0.000 1.083 97 L CA 1.596 56.338 54.840 -0.165 0.000 0.752 97 L CB -0.370 41.538 42.059 -0.251 0.000 0.899 97 L HN 0.262 nan 8.230 nan 0.000 0.433 98 L N -1.182 120.044 121.223 0.005 0.000 2.109 98 L HA -0.151 4.189 4.340 0.000 0.000 0.207 98 L C 2.691 179.578 176.870 0.029 0.000 1.086 98 L CA 1.017 55.881 54.840 0.041 0.000 0.760 98 L CB -0.484 41.579 42.059 0.007 0.000 0.910 98 L HN 0.242 nan 8.230 nan 0.000 0.437 99 R N 0.715 121.215 120.500 -0.000 0.000 2.091 99 R HA -0.145 4.195 4.340 0.000 0.000 0.238 99 R C 2.198 178.510 176.300 0.020 0.000 1.136 99 R CA 1.477 57.575 56.100 -0.003 0.000 0.959 99 R CB -0.115 30.172 30.300 -0.022 0.000 0.856 99 R HN 0.068 nan 8.270 nan 0.000 0.437 100 K N -0.088 120.333 120.400 0.035 0.000 2.155 100 K HA 0.083 4.403 4.320 0.000 0.000 0.203 100 K C 1.921 178.605 176.600 0.139 0.000 1.052 100 K CA 1.125 57.456 56.287 0.074 0.000 0.948 100 K CB -0.220 32.319 32.500 0.065 0.000 0.728 100 K HN 0.290 nan 8.250 nan 0.000 0.448 101 A N 1.446 124.375 122.820 0.182 0.000 1.933 101 A HA -0.190 4.130 4.320 0.000 0.000 0.218 101 A C 2.129 179.747 177.584 0.058 0.000 1.175 101 A CA 1.617 53.749 52.037 0.158 0.000 0.628 101 A CB -0.351 18.767 19.000 0.197 0.000 0.814 101 A HN 0.421 nan 8.150 nan 0.000 0.444 102 E N -0.410 119.816 120.200 0.042 0.000 2.106 102 E HA -0.195 4.155 4.350 0.000 0.000 0.192 102 E C 1.739 178.347 176.600 0.012 0.000 0.984 102 E CA 1.030 57.438 56.400 0.014 0.000 0.806 102 E CB -0.036 29.666 29.700 0.003 0.000 0.750 102 E HN 0.524 nan 8.360 nan 0.000 0.458 103 E N 0.501 120.716 120.200 0.024 0.000 2.110 103 E HA -0.172 4.178 4.350 0.000 0.000 0.193 103 E C 2.243 178.855 176.600 0.019 0.000 0.988 103 E CA 0.731 57.143 56.400 0.021 0.000 0.804 103 E CB -0.144 29.574 29.700 0.029 0.000 0.745 103 E HN 0.403 nan 8.360 nan 0.000 0.458 104 L N 0.061 121.300 121.223 0.026 0.000 2.093 104 L HA -0.163 4.177 4.340 0.000 0.000 0.208 104 L C 2.293 179.158 176.870 -0.010 0.000 1.085 104 L CA 0.363 55.208 54.840 0.010 0.000 0.755 104 L CB -0.284 41.775 42.059 0.000 0.000 0.904 104 L HN 0.120 nan 8.230 nan 0.000 0.435 105 L N -0.184 121.031 121.223 -0.014 0.000 2.141 105 L HA -0.208 4.132 4.340 0.000 0.000 0.209 105 L C 2.071 178.931 176.870 -0.017 0.000 1.094 105 L CA 1.665 56.490 54.840 -0.025 0.000 0.763 105 L CB -0.800 41.243 42.059 -0.027 0.000 0.908 105 L HN 0.225 nan 8.230 nan 0.000 0.437 106 D N -1.367 119.028 120.400 -0.007 0.000 2.178 106 D HA -0.169 4.471 4.640 0.000 0.000 0.202 106 D C 1.900 178.199 176.300 -0.002 0.000 0.974 106 D CA 0.756 54.754 54.000 -0.004 0.000 0.841 106 D CB 0.224 41.024 40.800 -0.000 0.000 0.953 106 D HN 0.218 nan 8.370 nan 0.000 0.478 107 Q N 0.031 119.831 119.800 -0.000 0.000 2.444 107 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 107 Q C 0.035 176.035 176.000 0.001 0.000 0.948 107 Q CA 0.209 56.013 55.803 0.002 0.000 0.946 107 Q CB 0.150 28.892 28.738 0.007 0.000 1.027 107 Q HN 0.363 nan 8.270 nan 0.000 0.513 108 N N -0.211 118.486 118.700 -0.005 0.000 2.780 108 N HA -0.135 4.605 4.740 0.000 0.000 0.248 108 N C -0.904 174.607 175.510 0.002 0.000 1.102 108 N CA 0.403 53.450 53.050 -0.005 0.000 0.697 108 N CB -1.768 36.721 38.487 0.003 0.000 1.028 108 N HN 0.007 nan 8.380 nan 0.000 0.554 109 V N 1.769 121.679 119.914 -0.006 0.000 2.408 109 V HA 0.062 4.182 4.120 0.000 0.000 0.267 109 V C 1.132 177.223 176.094 -0.004 0.000 1.047 109 V CA -0.568 61.734 62.300 0.003 0.000 0.937 109 V CB 1.126 32.941 31.823 -0.013 0.000 0.999 109 V HN 0.287 nan 8.190 nan 0.000 0.472 110 H N 8.312 127.361 119.070 -0.036 0.000 3.001 110 H HA 0.026 4.582 4.556 0.000 0.000 0.334 110 H C -1.665 173.632 175.328 -0.051 0.000 1.034 110 H CA -1.131 54.897 56.048 -0.034 0.000 1.420 110 H CB 1.604 31.349 29.762 -0.028 0.000 1.405 110 H HN 0.383 nan 8.280 nan 0.000 0.593 111 P HA -0.187 nan 4.420 nan 0.000 0.217 111 P C 1.414 178.738 177.300 0.041 0.000 1.148 111 P CA 2.559 65.594 63.100 -0.109 0.000 0.834 111 P CB 0.023 31.622 31.700 -0.168 0.000 0.783 112 T N -4.119 110.605 114.554 0.282 0.000 3.023 112 T HA 0.001 4.351 4.350 0.000 0.000 0.266 112 T C 1.752 176.481 174.700 0.047 0.000 1.093 112 T CA 0.676 62.863 62.100 0.146 0.000 1.129 112 T CB -1.041 67.896 68.868 0.115 0.000 0.899 112 T HN 0.059 nan 8.240 nan 0.000 0.491 113 I N 0.812 121.417 120.570 0.058 0.000 2.333 113 I HA -0.048 4.122 4.170 0.000 0.000 0.246 113 I C 2.622 178.684 176.117 -0.090 0.000 1.106 113 I CA 0.475 61.768 61.300 -0.011 0.000 1.411 113 I CB -0.331 37.675 38.000 0.010 0.000 1.082 113 I HN 0.093 nan 8.210 nan 0.000 0.420 114 V N 1.270 121.096 119.914 -0.147 0.000 2.255 114 V HA -0.250 3.870 4.120 0.000 0.000 0.247 114 V C 2.562 178.314 176.094 -0.569 0.000 1.051 114 V CA 2.200 64.274 62.300 -0.377 0.000 1.018 114 V CB -0.666 30.940 31.823 -0.360 0.000 0.641 114 V HN 0.482 nan 8.190 nan 0.000 0.445 115 V N -1.335 118.406 119.914 -0.289 0.000 2.809 115 V HA -0.145 3.975 4.120 0.000 0.000 0.256 115 V C 2.237 178.307 176.094 -0.040 0.000 1.080 115 V CA 2.137 64.358 62.300 -0.132 0.000 1.102 115 V CB -0.758 31.053 31.823 -0.021 0.000 0.705 115 V HN 0.554 nan 8.190 nan 0.000 0.475 116 K N 1.306 121.671 120.400 -0.057 0.000 2.025 116 K HA -0.001 4.319 4.320 0.000 0.000 0.207 116 K C 2.204 178.804 176.600 0.002 0.000 1.049 116 K CA 1.662 57.938 56.287 -0.018 0.000 0.933 116 K CB -0.814 31.672 32.500 -0.022 0.000 0.714 116 K HN 0.525 nan 8.250 nan 0.000 0.438 117 G N -0.147 108.646 108.800 -0.011 0.000 2.408 117 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 117 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 117 G C 1.144 176.138 174.900 0.157 0.000 1.150 117 G CA 0.557 45.695 45.100 0.064 0.000 0.776 117 G HN 0.251 nan 8.290 nan 0.000 0.542 118 Y N 0.397 120.673 120.300 -0.040 0.000 2.242 118 Y HA -0.051 4.499 4.550 -0.000 0.000 0.291 118 Y C 2.862 178.606 175.900 -0.260 0.000 1.137 118 Y CA 1.010 59.037 58.100 -0.121 0.000 1.181 118 Y CB -0.865 37.657 38.460 0.104 0.000 0.989 118 Y HN 0.273 nan 8.280 nan 0.000 0.527 119 Q N 0.310 120.141 119.800 0.052 0.000 2.083 119 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 119 Q C 2.365 178.325 176.000 -0.067 0.000 0.969 119 Q CA 1.688 57.486 55.803 -0.007 0.000 0.838 119 Q CB -0.473 28.278 28.738 0.021 0.000 0.900 119 Q HN 0.314 nan 8.270 nan 0.000 0.436 120 A N 0.369 123.175 122.820 -0.024 0.000 1.877 120 A HA -0.039 4.281 4.320 0.000 0.000 0.216 120 A C 2.289 179.843 177.584 -0.050 0.000 1.186 120 A CA 1.980 54.042 52.037 0.041 0.000 0.620 120 A CB -1.224 17.871 19.000 0.158 0.000 0.822 120 A HN 0.505 nan 8.150 nan 0.000 0.443 121 A N -0.337 122.371 122.820 -0.186 0.000 1.930 121 A HA 0.216 4.536 4.320 0.000 0.000 0.217 121 A C 2.461 179.668 177.584 -0.628 0.000 1.175 121 A CA 1.926 53.710 52.037 -0.421 0.000 0.627 121 A CB -0.891 17.730 19.000 -0.631 0.000 0.815 121 A HN 1.026 nan 8.150 nan 0.000 0.443 122 A N -1.130 121.252 122.820 -0.730 0.000 1.930 122 A HA -0.141 4.179 4.320 0.000 0.000 0.217 122 A C 2.119 179.600 177.584 -0.172 0.000 1.175 122 A CA 1.520 53.343 52.037 -0.357 0.000 0.627 122 A CB -0.395 18.481 19.000 -0.207 0.000 0.815 122 A HN 0.478 nan 8.150 nan 0.000 0.443 123 Q N -0.294 119.403 119.800 -0.172 0.000 2.079 123 Q HA -0.172 4.168 4.340 0.000 0.000 0.200 123 Q C 2.053 177.955 176.000 -0.163 0.000 0.974 123 Q CA 1.868 57.597 55.803 -0.123 0.000 0.840 123 Q CB -0.369 28.316 28.738 -0.089 0.000 0.898 123 Q HN 0.613 nan 8.270 nan 0.000 0.430 124 K N 0.979 121.211 120.400 -0.280 0.000 2.097 124 K HA 0.011 4.331 4.320 0.000 0.000 0.205 124 K C 1.832 178.306 176.600 -0.210 0.000 1.050 124 K CA 1.204 57.277 56.287 -0.357 0.000 0.938 124 K CB -0.447 31.578 32.500 -0.790 0.000 0.718 124 K HN 0.122 nan 8.250 nan 0.000 0.442 125 A N 0.619 123.346 122.820 -0.155 0.000 1.933 125 A HA -0.211 4.109 4.320 0.000 0.000 0.218 125 A C 2.078 179.647 177.584 -0.026 0.000 1.175 125 A CA 1.694 53.707 52.037 -0.039 0.000 0.628 125 A CB -0.516 18.524 19.000 0.068 0.000 0.814 125 A HN 0.511 nan 8.150 nan 0.000 0.444 126 Q N -0.632 119.145 119.800 -0.039 0.000 2.079 126 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 126 Q C 1.981 177.962 176.000 -0.031 0.000 0.974 126 Q CA 1.606 57.393 55.803 -0.025 0.000 0.840 126 Q CB -0.180 28.542 28.738 -0.026 0.000 0.898 126 Q HN 0.774 nan 8.270 nan 0.000 0.430 127 E N 0.523 120.691 120.200 -0.053 0.000 2.106 127 E HA -0.156 4.194 4.350 0.000 0.000 0.192 127 E C 2.045 178.623 176.600 -0.036 0.000 0.984 127 E CA 0.737 57.108 56.400 -0.048 0.000 0.806 127 E CB -0.026 29.633 29.700 -0.069 0.000 0.750 127 E HN 0.307 nan 8.360 nan 0.000 0.458 128 L N 0.567 121.765 121.223 -0.042 0.000 2.056 128 L HA -0.191 4.149 4.340 0.000 0.000 0.207 128 L C 2.435 179.304 176.870 -0.003 0.000 1.078 128 L CA 0.891 55.719 54.840 -0.020 0.000 0.749 128 L CB -0.326 41.721 42.059 -0.019 0.000 0.901 128 L HN 0.169 nan 8.230 nan 0.000 0.433 129 L N -0.443 120.779 121.223 -0.002 0.000 2.056 129 L HA -0.206 4.134 4.340 0.000 0.000 0.207 129 L C 2.598 179.470 176.870 0.003 0.000 1.078 129 L CA 1.337 56.181 54.840 0.006 0.000 0.749 129 L CB -0.430 41.633 42.059 0.007 0.000 0.901 129 L HN 0.206 nan 8.230 nan 0.000 0.433 130 K N -0.729 119.669 120.400 -0.003 0.000 2.148 130 K HA -0.098 4.222 4.320 0.000 0.000 0.204 130 K C 2.051 178.649 176.600 -0.002 0.000 1.050 130 K CA 1.532 57.817 56.287 -0.003 0.000 0.942 130 K CB -0.170 32.325 32.500 -0.007 0.000 0.724 130 K HN 0.277 nan 8.250 nan 0.000 0.446 131 T N 1.943 116.495 114.554 -0.003 0.000 2.777 131 T HA -0.072 4.278 4.350 0.000 0.000 0.266 131 T C 1.860 176.561 174.700 0.003 0.000 1.040 131 T CA 1.263 63.362 62.100 -0.001 0.000 1.141 131 T CB -0.127 68.739 68.868 -0.002 0.000 0.868 131 T HN 0.385 nan 8.240 nan 0.000 0.444 132 I N -0.324 120.250 120.570 0.008 0.000 3.578 132 I HA 0.451 4.621 4.170 0.000 0.000 0.295 132 I C 1.036 177.158 176.117 0.009 0.000 1.280 132 I CA -0.554 60.753 61.300 0.011 0.000 1.347 132 I CB -0.458 37.557 38.000 0.024 0.000 1.051 132 I HN -0.055 nan 8.210 nan 0.000 0.460 133 A N 1.578 124.402 122.820 0.007 0.000 2.548 133 A HA 0.101 4.421 4.320 0.000 0.000 0.247 133 A C 0.161 177.747 177.584 0.004 0.000 1.067 133 A CA -0.015 52.025 52.037 0.006 0.000 0.757 133 A CB -0.280 18.722 19.000 0.003 0.000 0.996 133 A HN 0.642 nan 8.150 nan 0.000 0.504 134 C N 3.612 122.914 119.300 0.004 0.000 2.265 134 C HA 0.474 4.934 4.460 0.000 0.000 0.332 134 C C 0.493 175.484 174.990 0.001 0.000 1.248 134 C CA -0.585 58.434 59.018 0.002 0.000 1.727 134 C CB -0.799 26.942 27.740 0.002 0.000 2.348 134 C HN 0.930 nan 8.230 nan 0.000 0.519 135 E N 3.841 124.040 120.200 -0.000 0.000 2.316 135 E HA 0.498 4.848 4.350 0.000 0.000 0.275 135 E C -0.295 176.305 176.600 -0.001 0.000 1.029 135 E CA -0.201 56.199 56.400 -0.001 0.000 0.871 135 E CB 0.861 30.560 29.700 -0.001 0.000 1.022 135 E HN 0.727 nan 8.360 nan 0.000 0.418 136 V N 0.973 120.887 119.914 -0.001 0.000 3.102 136 V HA 0.733 4.853 4.120 0.000 0.000 0.312 136 V C 0.361 176.454 176.094 -0.002 0.000 1.135 136 V CA -0.784 61.515 62.300 -0.002 0.000 1.022 136 V CB 1.533 33.354 31.823 -0.002 0.000 1.056 136 V HN 0.714 nan 8.190 nan 0.000 0.436 137 G N 0.520 109.318 108.800 -0.003 0.000 2.343 137 G HA2 0.466 4.426 3.960 0.000 0.000 0.254 137 G HA3 0.466 4.426 3.960 0.000 0.000 0.254 137 G C 0.986 175.884 174.900 -0.003 0.000 1.277 137 G CA 0.172 45.270 45.100 -0.003 0.000 0.909 137 G HN 1.658 nan 8.290 nan 0.000 0.502 138 A N 2.472 125.290 122.820 -0.002 0.000 1.978 138 A HA -0.099 4.221 4.320 0.000 0.000 0.220 138 A C 2.068 179.651 177.584 -0.003 0.000 1.170 138 A CA 1.969 54.005 52.037 -0.002 0.000 0.636 138 A CB -0.091 18.907 19.000 -0.002 0.000 0.810 138 A HN 0.764 nan 8.150 nan 0.000 0.448 139 Q N -0.226 119.572 119.800 -0.002 0.000 2.175 139 Q HA 0.299 4.639 4.340 0.000 0.000 0.225 139 Q C -0.413 175.586 176.000 -0.003 0.000 0.837 139 Q CA 0.165 55.967 55.803 -0.002 0.000 1.032 139 Q CB -0.677 28.059 28.738 -0.002 0.000 1.137 139 Q HN 0.430 nan 8.270 nan 0.000 0.483 140 D N 0.892 121.290 120.400 -0.003 0.000 2.346 140 D HA 0.044 4.684 4.640 0.000 0.000 0.260 140 D C 0.997 177.294 176.300 -0.004 0.000 1.252 140 D CA -0.069 53.929 54.000 -0.003 0.000 0.895 140 D CB 0.900 41.698 40.800 -0.004 0.000 1.097 140 D HN 0.078 nan 8.370 nan 0.000 0.489 141 K N 3.622 124.020 120.400 -0.004 0.000 2.052 141 K HA -0.304 4.016 4.320 0.000 0.000 0.215 141 K C 1.553 178.149 176.600 -0.006 0.000 1.053 141 K CA 2.194 58.478 56.287 -0.005 0.000 0.934 141 K CB -0.209 32.289 32.500 -0.004 0.000 0.717 141 K HN 0.676 nan 8.250 nan 0.000 0.450 142 E N -0.533 119.663 120.200 -0.007 0.000 2.021 142 E HA -0.227 4.123 4.350 0.000 0.000 0.200 142 E C 2.010 178.605 176.600 -0.009 0.000 1.015 142 E CA 1.768 58.163 56.400 -0.008 0.000 0.824 142 E CB -0.299 29.397 29.700 -0.008 0.000 0.762 142 E HN 0.345 nan 8.360 nan 0.000 0.454 143 I N 0.551 121.117 120.570 -0.007 0.000 2.614 143 I HA -0.189 3.981 4.170 0.000 0.000 0.258 143 I C 1.946 178.059 176.117 -0.006 0.000 1.189 143 I CA 0.624 61.919 61.300 -0.007 0.000 1.462 143 I CB -0.066 37.931 38.000 -0.005 0.000 1.092 143 I HN 0.213 nan 8.210 nan 0.000 0.442 144 L N 0.033 121.252 121.223 -0.006 0.000 2.093 144 L HA -0.171 4.169 4.340 0.000 0.000 0.208 144 L C 2.654 179.520 176.870 -0.007 0.000 1.085 144 L CA 2.372 57.208 54.840 -0.006 0.000 0.755 144 L CB -1.409 40.647 42.059 -0.005 0.000 0.904 144 L HN 0.476 nan 8.230 nan 0.000 0.435 145 T N -4.828 109.721 114.554 -0.009 0.000 3.014 145 T HA -0.081 4.269 4.350 0.000 0.000 0.263 145 T C 1.910 176.602 174.700 -0.014 0.000 1.078 145 T CA 0.527 62.620 62.100 -0.011 0.000 1.135 145 T CB -0.102 68.759 68.868 -0.012 0.000 0.895 145 T HN 0.189 nan 8.240 nan 0.000 0.480 146 K N 0.520 120.912 120.400 -0.014 0.000 2.062 146 K HA 0.117 4.437 4.320 0.000 0.000 0.205 146 K C 2.137 178.730 176.600 -0.012 0.000 1.051 146 K CA 0.826 57.104 56.287 -0.016 0.000 0.941 146 K CB -0.157 32.334 32.500 -0.015 0.000 0.719 146 K HN 0.236 nan 8.250 nan 0.000 0.440 147 I N 1.336 121.902 120.570 -0.007 0.000 2.202 147 I HA -0.202 3.968 4.170 0.000 0.000 0.242 147 I C 2.501 178.617 176.117 -0.002 0.000 1.091 147 I CA 1.192 62.490 61.300 -0.003 0.000 1.368 147 I CB -1.358 36.641 38.000 -0.002 0.000 1.058 147 I HN 0.092 nan 8.210 nan 0.000 0.410 148 A N 0.724 123.541 122.820 -0.004 0.000 1.865 148 A HA -0.247 4.073 4.320 0.000 0.000 0.217 148 A C 2.412 179.994 177.584 -0.004 0.000 1.191 148 A CA 1.989 54.024 52.037 -0.004 0.000 0.623 148 A CB -0.622 18.374 19.000 -0.006 0.000 0.826 148 A HN 0.353 nan 8.150 nan 0.000 0.444 149 M N -0.323 119.271 119.600 -0.010 0.000 2.099 149 M HA -0.132 4.348 4.480 0.000 0.000 0.262 149 M C 2.438 178.732 176.300 -0.011 0.000 1.067 149 M CA 2.032 57.322 55.300 -0.016 0.000 1.124 149 M CB -0.682 31.899 32.600 -0.032 0.000 1.353 149 M HN 0.718 nan 8.290 nan 0.000 0.410 150 T N -2.755 111.795 114.554 -0.008 0.000 2.867 150 T HA -0.099 4.251 4.350 0.000 0.000 0.268 150 T C 1.889 176.606 174.700 0.030 0.000 1.057 150 T CA 1.643 63.749 62.100 0.009 0.000 1.136 150 T CB -0.463 68.411 68.868 0.010 0.000 0.874 150 T HN 0.286 nan 8.240 nan 0.000 0.466 151 S N 0.976 116.688 115.700 0.019 0.000 2.355 151 S HA 0.042 4.512 4.470 0.000 0.000 0.222 151 S C 1.991 176.607 174.600 0.027 0.000 1.031 151 S CA 0.865 59.078 58.200 0.022 0.000 0.993 151 S CB -0.604 62.604 63.200 0.012 0.000 0.859 151 S HN 0.589 nan 8.310 nan 0.000 0.453 152 I N 1.717 122.300 120.570 0.022 0.000 2.361 152 I HA -0.108 4.062 4.170 0.000 0.000 0.251 152 I C 1.219 177.363 176.117 0.045 0.000 1.133 152 I CA 0.873 62.188 61.300 0.025 0.000 1.413 152 I CB -0.908 37.101 38.000 0.015 0.000 1.073 152 I HN 0.427 nan 8.210 nan 0.000 0.424 153 T N -0.543 114.050 114.554 0.064 0.000 2.932 153 T HA 0.315 4.665 4.350 0.000 0.000 0.312 153 T C 1.168 175.947 174.700 0.130 0.000 1.071 153 T CA 0.099 62.276 62.100 0.127 0.000 1.128 153 T CB 1.273 70.259 68.868 0.196 0.000 0.984 153 T HN 0.604 nan 8.240 nan 0.000 0.549 154 G N 1.323 110.209 108.800 0.143 0.000 2.176 154 G HA2 -0.216 3.744 3.960 0.000 0.000 0.253 154 G HA3 -0.216 3.744 3.960 0.000 0.000 0.253 154 G C -0.039 174.886 174.900 0.043 0.000 0.979 154 G CA 0.351 45.493 45.100 0.070 0.000 0.641 154 G HN 0.912 nan 8.290 nan 0.000 0.530 155 K N -0.459 119.971 120.400 0.051 0.000 2.185 155 K HA 0.681 5.001 4.320 0.000 0.000 0.240 155 K C 1.585 178.208 176.600 0.037 0.000 0.983 155 K CA 0.125 56.433 56.287 0.036 0.000 0.873 155 K CB 0.841 33.360 32.500 0.032 0.000 1.118 155 K HN 0.195 nan 8.250 nan 0.000 0.441 156 G N 0.200 109.017 108.800 0.029 0.000 2.432 156 G HA2 -0.226 3.735 3.960 0.000 0.000 0.219 156 G HA3 -0.226 3.735 3.960 0.000 0.000 0.219 156 G C 1.178 176.096 174.900 0.029 0.000 1.135 156 G CA 1.023 46.140 45.100 0.028 0.000 0.767 156 G HN 0.577 nan 8.290 nan 0.000 0.550 157 A N 0.503 123.339 122.820 0.027 0.000 2.172 157 A HA 0.082 4.402 4.320 0.000 0.000 0.216 157 A C 1.988 179.586 177.584 0.024 0.000 1.154 157 A CA 1.652 53.702 52.037 0.023 0.000 0.701 157 A CB -0.337 18.674 19.000 0.019 0.000 0.789 157 A HN 0.507 nan 8.150 nan 0.000 0.465 158 E N 1.190 121.410 120.200 0.034 0.000 2.171 158 E HA -0.297 4.053 4.350 0.000 0.000 0.197 158 E C 1.880 178.496 176.600 0.026 0.000 0.997 158 E CA 1.668 58.090 56.400 0.037 0.000 0.810 158 E CB -0.202 29.540 29.700 0.069 0.000 0.738 158 E HN 0.802 nan 8.360 nan 0.000 0.467 159 K N -0.457 119.960 120.400 0.028 0.000 2.218 159 K HA -0.122 4.198 4.320 0.000 0.000 0.205 159 K C 1.241 177.848 176.600 0.012 0.000 1.046 159 K CA 1.493 57.792 56.287 0.021 0.000 0.933 159 K CB -0.018 32.495 32.500 0.022 0.000 0.728 159 K HN 0.104 nan 8.250 nan 0.000 0.454 160 A N 1.803 124.629 122.820 0.011 0.000 2.606 160 A HA 0.136 4.456 4.320 0.000 0.000 0.290 160 A C 1.369 178.954 177.584 0.002 0.000 1.174 160 A CA -0.542 51.498 52.037 0.006 0.000 0.958 160 A CB -0.016 18.989 19.000 0.008 0.000 1.194 160 A HN 0.423 nan 8.150 nan 0.000 0.526 161 K N 0.154 120.555 120.400 0.000 0.000 2.281 161 K HA -0.188 4.132 4.320 0.000 0.000 0.203 161 K C 0.864 177.458 176.600 -0.010 0.000 1.046 161 K CA 1.870 58.155 56.287 -0.004 0.000 0.938 161 K CB -0.096 32.398 32.500 -0.009 0.000 0.737 161 K HN 0.317 nan 8.250 nan 0.000 0.458 162 E N 1.501 121.695 120.200 -0.011 0.000 2.047 162 E HA -0.138 4.212 4.350 0.000 0.000 0.191 162 E C 1.916 178.511 176.600 -0.008 0.000 0.987 162 E CA 1.306 57.698 56.400 -0.013 0.000 0.799 162 E CB -0.050 29.642 29.700 -0.013 0.000 0.752 162 E HN 0.267 nan 8.360 nan 0.000 0.449 163 K N 0.211 120.608 120.400 -0.005 0.000 2.097 163 K HA -0.067 4.253 4.320 0.000 0.000 0.205 163 K C 1.657 178.255 176.600 -0.003 0.000 1.050 163 K CA 0.721 57.007 56.287 -0.003 0.000 0.938 163 K CB -0.201 32.299 32.500 0.000 0.000 0.718 163 K HN -0.008 nan 8.250 nan 0.000 0.442 164 L N 0.520 121.741 121.223 -0.003 0.000 2.056 164 L HA 0.014 4.354 4.340 0.000 0.000 0.207 164 L C 2.284 179.151 176.870 -0.005 0.000 1.078 164 L CA 1.976 56.814 54.840 -0.003 0.000 0.749 164 L CB -1.183 40.876 42.059 -0.000 0.000 0.901 164 L HN 0.270 nan 8.230 nan 0.000 0.433 165 A N -0.972 121.844 122.820 -0.006 0.000 1.933 165 A HA -0.258 4.062 4.320 0.000 0.000 0.218 165 A C 2.355 179.934 177.584 -0.008 0.000 1.175 165 A CA 1.800 53.832 52.037 -0.008 0.000 0.628 165 A CB -0.543 18.450 19.000 -0.011 0.000 0.814 165 A HN 0.501 nan 8.150 nan 0.000 0.444 166 E N -0.227 119.969 120.200 -0.008 0.000 2.077 166 E HA -0.160 4.190 4.350 0.000 0.000 0.193 166 E C 1.875 178.470 176.600 -0.007 0.000 0.989 166 E CA 1.227 57.623 56.400 -0.007 0.000 0.800 166 E CB -0.215 29.482 29.700 -0.006 0.000 0.746 166 E HN 0.663 nan 8.360 nan 0.000 0.452 167 I N 0.344 120.909 120.570 -0.007 0.000 2.226 167 I HA -0.266 3.905 4.170 0.000 0.000 0.245 167 I C 2.117 178.227 176.117 -0.011 0.000 1.100 167 I CA 0.739 62.033 61.300 -0.009 0.000 1.374 167 I CB -0.073 37.921 38.000 -0.009 0.000 1.057 167 I HN 0.200 nan 8.210 nan 0.000 0.413 168 I N -0.449 120.115 120.570 -0.009 0.000 2.406 168 I HA -0.161 4.009 4.170 0.000 0.000 0.249 168 I C 2.295 178.407 176.117 -0.009 0.000 1.122 168 I CA 1.074 62.368 61.300 -0.009 0.000 1.431 168 I CB -0.304 37.692 38.000 -0.007 0.000 1.087 168 I HN -0.072 nan 8.210 nan 0.000 0.424 169 V N 0.231 120.140 119.914 -0.008 0.000 2.358 169 V HA -0.245 3.875 4.120 0.000 0.000 0.246 169 V C 2.501 178.591 176.094 -0.007 0.000 1.047 169 V CA 1.864 64.160 62.300 -0.007 0.000 1.035 169 V CB -0.523 31.296 31.823 -0.006 0.000 0.658 169 V HN 0.401 nan 8.190 nan 0.000 0.452 170 E N 0.824 121.020 120.200 -0.007 0.000 2.072 170 E HA -0.143 4.207 4.350 0.000 0.000 0.191 170 E C 2.133 178.727 176.600 -0.009 0.000 0.985 170 E CA 1.596 57.992 56.400 -0.007 0.000 0.801 170 E CB -0.461 29.234 29.700 -0.008 0.000 0.750 170 E HN 0.489 nan 8.360 nan 0.000 0.452 171 A N 0.077 122.890 122.820 -0.012 0.000 1.877 171 A HA -0.144 4.176 4.320 0.000 0.000 0.216 171 A C 2.510 180.087 177.584 -0.013 0.000 1.186 171 A CA 1.743 53.771 52.037 -0.016 0.000 0.620 171 A CB -0.847 18.142 19.000 -0.019 0.000 0.822 171 A HN 0.205 nan 8.150 nan 0.000 0.443 172 V N -0.514 119.394 119.914 -0.010 0.000 2.307 172 V HA -0.197 3.923 4.120 0.000 0.000 0.245 172 V C 2.816 178.907 176.094 -0.006 0.000 1.045 172 V CA 2.273 64.568 62.300 -0.008 0.000 1.024 172 V CB -0.715 31.104 31.823 -0.007 0.000 0.651 172 V HN 0.667 nan 8.190 nan 0.000 0.449 173 S N -0.092 115.605 115.700 -0.004 0.000 2.370 173 S HA -0.208 4.262 4.470 0.000 0.000 0.226 173 S C 2.119 176.720 174.600 0.002 0.000 1.033 173 S CA 1.706 59.906 58.200 -0.001 0.000 1.011 173 S CB -0.331 62.869 63.200 -0.000 0.000 0.852 173 S HN 0.616 nan 8.310 nan 0.000 0.457 174 A N 0.715 123.536 122.820 0.000 0.000 1.933 174 A HA -0.006 4.314 4.320 0.000 0.000 0.218 174 A C 2.320 179.907 177.584 0.005 0.000 1.175 174 A CA 1.862 53.901 52.037 0.004 0.000 0.628 174 A CB -0.788 18.210 19.000 -0.003 0.000 0.814 174 A HN 0.987 nan 8.150 nan 0.000 0.444 175 V N -3.841 116.072 119.914 -0.002 0.000 3.307 175 V HA 0.090 4.210 4.120 0.000 0.000 0.253 175 V C 1.996 178.088 176.094 -0.003 0.000 1.149 175 V CA 1.160 63.458 62.300 -0.004 0.000 1.112 175 V CB -0.248 31.568 31.823 -0.011 0.000 0.777 175 V HN 0.171 nan 8.190 nan 0.000 0.464 176 V N 0.500 120.413 119.914 -0.003 0.000 2.453 176 V HA -0.032 4.088 4.120 0.000 0.000 0.247 176 V C 1.626 177.719 176.094 -0.002 0.000 1.048 176 V CA 2.519 64.817 62.300 -0.003 0.000 1.049 176 V CB -0.276 31.545 31.823 -0.003 0.000 0.672 176 V HN 0.810 nan 8.190 nan 0.000 0.457 177 D N -0.617 119.784 120.400 0.001 0.000 4.438 177 D HA -0.218 4.422 4.640 0.000 0.000 0.158 177 D C 0.600 176.898 176.300 -0.004 0.000 0.686 177 D CA 1.945 55.945 54.000 0.000 0.000 1.183 177 D CB -1.304 39.494 40.800 -0.003 0.000 0.623 177 D HN 0.574 nan 8.370 nan 0.000 0.521 178 D N 1.462 121.858 120.400 -0.007 0.000 2.384 178 D HA 0.262 4.902 4.640 0.000 0.000 0.244 178 D C -0.302 175.994 176.300 -0.006 0.000 1.251 178 D CA 0.307 54.303 54.000 -0.008 0.000 0.961 178 D CB 0.421 41.215 40.800 -0.010 0.000 1.116 178 D HN 0.218 nan 8.370 nan 0.000 0.484 179 E N -0.135 120.061 120.200 -0.006 0.000 2.267 179 E HA 0.565 4.915 4.350 0.000 0.000 0.241 179 E C -0.262 176.335 176.600 -0.005 0.000 0.950 179 E CA -0.657 55.740 56.400 -0.005 0.000 0.776 179 E CB 0.780 30.477 29.700 -0.004 0.000 1.207 179 E HN 0.497 nan 8.360 nan 0.000 0.436 180 G N 1.738 110.535 108.800 -0.005 0.000 2.347 180 G HA2 0.210 4.170 3.960 0.000 0.000 0.303 180 G HA3 0.210 4.170 3.960 0.000 0.000 0.303 180 G C -1.781 173.117 174.900 -0.004 0.000 1.481 180 G CA -0.815 44.282 45.100 -0.005 0.000 0.914 180 G HN 0.063 nan 8.290 nan 0.000 0.638 181 K N 0.315 120.712 120.400 -0.005 0.000 2.550 181 K HA 0.543 4.863 4.320 0.000 0.000 0.252 181 K C -1.343 175.254 176.600 -0.005 0.000 0.943 181 K CA -0.539 55.745 56.287 -0.004 0.000 0.806 181 K CB 2.197 34.694 32.500 -0.005 0.000 1.289 181 K HN 0.600 nan 8.250 nan 0.000 0.435 182 V N 3.323 123.234 119.914 -0.005 0.000 2.370 182 V HA 0.261 4.381 4.120 0.000 0.000 0.279 182 V C -0.310 175.780 176.094 -0.006 0.000 1.029 182 V CA -0.689 61.608 62.300 -0.005 0.000 0.870 182 V CB 1.371 33.191 31.823 -0.005 0.000 0.984 182 V HN 0.624 nan 8.190 nan 0.000 0.451 183 D N 3.811 124.206 120.400 -0.007 0.000 2.453 183 D HA 0.305 4.945 4.640 0.000 0.000 0.238 183 D C 0.864 177.158 176.300 -0.010 0.000 1.088 183 D CA -0.537 53.458 54.000 -0.008 0.000 0.854 183 D CB 1.597 42.392 40.800 -0.009 0.000 1.076 183 D HN 0.423 nan 8.370 nan 0.000 0.533 184 K N 1.965 122.359 120.400 -0.010 0.000 2.360 184 K HA -0.150 4.170 4.320 0.000 0.000 0.201 184 K C 0.906 177.497 176.600 -0.014 0.000 1.046 184 K CA 0.809 57.089 56.287 -0.011 0.000 0.945 184 K CB 0.242 32.736 32.500 -0.009 0.000 0.750 184 K HN 0.344 nan 8.250 nan 0.000 0.464 185 D N 0.783 121.175 120.400 -0.014 0.000 2.310 185 D HA -0.081 4.559 4.640 0.000 0.000 0.212 185 D C 1.258 177.545 176.300 -0.022 0.000 0.965 185 D CA 0.641 54.631 54.000 -0.017 0.000 0.879 185 D CB 0.138 40.928 40.800 -0.015 0.000 0.921 185 D HN 0.118 nan 8.370 nan 0.000 0.510 186 L N -0.153 121.058 121.223 -0.021 0.000 2.554 186 L HA 0.158 4.498 4.340 0.000 0.000 0.226 186 L C 0.346 177.199 176.870 -0.029 0.000 1.137 186 L CA 0.203 55.028 54.840 -0.024 0.000 0.863 186 L CB 0.077 42.125 42.059 -0.019 0.000 0.985 186 L HN 0.022 nan 8.230 nan 0.000 0.451 187 I N 0.650 121.204 120.570 -0.028 0.000 2.390 187 I HA 0.172 4.342 4.170 0.000 0.000 0.283 187 I C 0.107 176.203 176.117 -0.035 0.000 1.016 187 I CA -0.347 60.934 61.300 -0.032 0.000 1.151 187 I CB 1.419 39.403 38.000 -0.025 0.000 1.293 187 I HN -0.033 nan 8.210 nan 0.000 0.458 188 K N 6.815 127.187 120.400 -0.046 0.000 2.276 188 K HA 0.400 4.720 4.320 0.000 0.000 0.283 188 K C -0.647 175.924 176.600 -0.049 0.000 1.044 188 K CA -0.516 55.741 56.287 -0.049 0.000 0.944 188 K CB 0.876 33.338 32.500 -0.064 0.000 1.012 188 K HN 0.456 nan 8.250 nan 0.000 0.472 189 I N 4.324 124.870 120.570 -0.039 0.000 2.307 189 I HA 0.155 4.325 4.170 0.000 0.000 0.287 189 I C -0.139 175.958 176.117 -0.033 0.000 1.054 189 I CA -0.551 60.729 61.300 -0.033 0.000 1.218 189 I CB 0.685 38.671 38.000 -0.024 0.000 1.398 189 I HN 0.674 nan 8.210 nan 0.000 0.475 190 E N 7.302 127.478 120.200 -0.040 0.000 2.216 190 E HA 0.473 4.823 4.350 0.000 0.000 0.279 190 E C -0.733 175.857 176.600 -0.016 0.000 0.997 190 E CA -0.589 55.793 56.400 -0.030 0.000 0.817 190 E CB 1.045 30.718 29.700 -0.046 0.000 1.096 190 E HN 0.542 nan 8.360 nan 0.000 0.393 191 K N 2.884 123.280 120.400 -0.007 0.000 2.541 191 K HA 0.562 4.882 4.320 0.000 0.000 0.250 191 K C -1.029 175.574 176.600 0.005 0.000 0.950 191 K CA -1.086 55.199 56.287 -0.002 0.000 0.805 191 K CB 1.510 34.004 32.500 -0.010 0.000 1.166 191 K HN 0.092 nan 8.250 nan 0.000 0.430 192 K N 2.042 122.451 120.400 0.015 0.000 2.578 192 K HA 0.197 4.517 4.320 0.000 0.000 0.250 192 K C -0.895 175.717 176.600 0.019 0.000 0.955 192 K CA -0.652 55.648 56.287 0.022 0.000 0.825 192 K CB 2.045 34.570 32.500 0.042 0.000 1.151 192 K HN 0.776 nan 8.250 nan 0.000 0.432 193 S N 1.278 116.985 115.700 0.012 0.000 2.568 193 S HA 0.504 4.974 4.470 0.000 0.000 0.282 193 S C 0.357 174.968 174.600 0.019 0.000 1.338 193 S CA 1.268 59.476 58.200 0.014 0.000 1.045 193 S CB 0.153 63.360 63.200 0.011 0.000 0.873 193 S HN 0.873 nan 8.310 nan 0.000 0.516 194 G N 1.672 110.484 108.800 0.020 0.000 2.465 194 G HA2 0.509 4.469 3.960 0.000 0.000 0.681 194 G HA3 0.509 4.469 3.960 0.000 0.000 0.681 194 G C -0.085 174.828 174.900 0.021 0.000 1.340 194 G CA -0.050 45.062 45.100 0.020 0.000 0.884 194 G HN 2.157 nan 8.290 nan 0.000 0.650 195 A N -0.571 122.260 122.820 0.019 0.000 6.088 195 A HA 0.393 4.713 4.320 0.000 0.000 0.261 195 A C 1.120 178.715 177.584 0.018 0.000 2.138 195 A CA 1.933 53.980 52.037 0.018 0.000 0.708 195 A CB -1.621 17.392 19.000 0.022 0.000 1.068 195 A HN 2.723 nan 8.150 nan 0.000 0.364 196 S N -2.789 112.922 115.700 0.018 0.000 2.811 196 S HA 0.703 5.173 4.470 0.000 0.000 0.311 196 S C 1.121 175.732 174.600 0.018 0.000 1.152 196 S CA 0.148 58.358 58.200 0.017 0.000 0.864 196 S CB 1.307 64.516 63.200 0.015 0.000 1.226 196 S HN 1.564 nan 8.310 nan 0.000 0.541 197 I N 1.304 121.884 120.570 0.016 0.000 2.614 197 I HA -0.093 4.077 4.170 0.000 0.000 0.258 197 I C 0.875 177.000 176.117 0.014 0.000 1.189 197 I CA 1.274 62.583 61.300 0.015 0.000 1.462 197 I CB -0.086 37.923 38.000 0.015 0.000 1.092 197 I HN 0.584 nan 8.210 nan 0.000 0.442 198 D N 1.026 121.434 120.400 0.013 0.000 2.178 198 D HA -0.181 4.459 4.640 0.000 0.000 0.201 198 D C 1.437 177.745 176.300 0.014 0.000 0.980 198 D CA 1.304 55.311 54.000 0.012 0.000 0.842 198 D CB -0.248 40.559 40.800 0.011 0.000 0.948 198 D HN 0.480 nan 8.370 nan 0.000 0.472 199 D N -0.523 119.888 120.400 0.017 0.000 2.347 199 D HA -0.022 4.618 4.640 0.000 0.000 0.215 199 D C 0.265 176.580 176.300 0.025 0.000 0.976 199 D CA 0.453 54.467 54.000 0.022 0.000 0.884 199 D CB -0.003 40.812 40.800 0.025 0.000 0.915 199 D HN -0.026 nan 8.370 nan 0.000 0.526 200 T N 1.097 115.662 114.554 0.019 0.000 2.933 200 T HA 0.170 4.520 4.350 0.000 0.000 0.306 200 T C 0.122 174.829 174.700 0.012 0.000 1.045 200 T CA 0.524 62.633 62.100 0.015 0.000 1.143 200 T CB 0.654 69.528 68.868 0.010 0.000 1.003 200 T HN 0.038 nan 8.240 nan 0.000 0.540 201 E N 1.793 121.999 120.200 0.009 0.000 2.390 201 E HA 0.521 4.871 4.350 0.000 0.000 0.280 201 E C -1.949 174.643 176.600 -0.013 0.000 0.992 201 E CA -0.800 55.602 56.400 0.004 0.000 0.790 201 E CB 1.039 30.750 29.700 0.019 0.000 1.248 201 E HN 0.349 nan 8.360 nan 0.000 0.447 202 L N 3.622 124.834 121.223 -0.017 0.000 2.292 202 L HA 0.600 4.940 4.340 0.000 0.000 0.284 202 L C -1.141 175.705 176.870 -0.040 0.000 1.065 202 L CA -0.218 54.602 54.840 -0.033 0.000 0.806 202 L CB 0.834 42.877 42.059 -0.026 0.000 1.175 202 L HN 0.577 nan 8.230 nan 0.000 0.431 203 I N 5.553 126.080 120.570 -0.071 0.000 2.382 203 I HA 0.304 4.474 4.170 0.000 0.000 0.285 203 I C -0.135 175.935 176.117 -0.078 0.000 1.007 203 I CA -0.492 60.758 61.300 -0.083 0.000 1.142 203 I CB 1.186 39.085 38.000 -0.168 0.000 1.289 203 I HN 0.315 nan 8.210 nan 0.000 0.453 204 K N 5.804 126.174 120.400 -0.049 0.000 2.081 204 K HA 0.516 4.836 4.320 0.000 0.000 0.230 204 K C 0.458 177.030 176.600 -0.048 0.000 1.199 204 K CA -0.049 56.212 56.287 -0.044 0.000 1.130 204 K CB -0.209 32.272 32.500 -0.032 0.000 1.386 204 K HN 0.968 nan 8.250 nan 0.000 0.280 205 G N -0.694 108.065 108.800 -0.068 0.000 2.455 205 G HA2 0.122 4.082 3.960 0.000 0.000 0.223 205 G HA3 0.122 4.082 3.960 0.000 0.000 0.223 205 G C -1.637 173.197 174.900 -0.110 0.000 1.226 205 G CA -0.720 44.337 45.100 -0.072 0.000 0.948 205 G HN 0.086 nan 8.290 nan 0.000 0.478 206 V N 0.446 120.285 119.914 -0.125 0.000 2.588 206 V HA 0.636 4.756 4.120 0.000 0.000 0.304 206 V C -0.806 175.174 176.094 -0.189 0.000 1.042 206 V CA -0.626 61.581 62.300 -0.154 0.000 0.877 206 V CB 1.560 33.291 31.823 -0.153 0.000 0.996 206 V HN 0.608 nan 8.190 nan 0.000 0.425 207 L N 5.212 126.290 121.223 -0.242 0.000 2.255 207 L HA 0.490 4.830 4.340 0.000 0.000 0.289 207 L C -0.090 176.734 176.870 -0.077 0.000 1.046 207 L CA 0.166 54.840 54.840 -0.277 0.000 0.816 207 L CB 1.472 43.243 42.059 -0.480 0.000 1.197 207 L HN 0.438 nan 8.230 nan 0.000 0.427 208 V N 2.684 122.621 119.914 0.038 0.000 2.394 208 V HA 0.237 4.357 4.120 0.000 0.000 0.282 208 V C 0.119 176.293 176.094 0.133 0.000 1.031 208 V CA -0.784 61.556 62.300 0.066 0.000 0.881 208 V CB 1.570 33.449 31.823 0.095 0.000 0.982 208 V HN 0.781 nan 8.190 nan 0.000 0.451 209 D N 3.772 124.227 120.400 0.091 0.000 3.085 209 D HA 0.176 4.816 4.640 0.000 0.000 0.243 209 D C 0.117 176.471 176.300 0.090 0.000 1.232 209 D CA -0.256 53.799 54.000 0.092 0.000 0.913 209 D CB 0.137 40.973 40.800 0.060 0.000 1.108 209 D HN 0.268 nan 8.370 nan 0.000 0.468 210 K N 0.458 120.928 120.400 0.117 0.000 2.409 210 K HA 0.421 4.741 4.320 0.000 0.000 0.252 210 K C 0.352 177.008 176.600 0.093 0.000 1.036 210 K CA -0.651 55.700 56.287 0.107 0.000 0.871 210 K CB 2.264 34.851 32.500 0.146 0.000 1.374 210 K HN 0.308 nan 8.250 nan 0.000 0.459 211 E N 0.733 120.970 120.200 0.062 0.000 2.378 211 E HA 0.394 4.744 4.350 0.000 0.000 0.265 211 E C -0.684 175.925 176.600 0.014 0.000 0.932 211 E CA -0.906 55.515 56.400 0.035 0.000 0.795 211 E CB 1.245 30.957 29.700 0.021 0.000 1.296 211 E HN 0.218 nan 8.360 nan 0.000 0.438 212 R N 1.245 121.744 120.500 -0.002 0.000 2.296 212 R HA 0.107 4.447 4.340 0.000 0.000 0.323 212 R C 1.363 177.654 176.300 -0.015 0.000 1.067 212 R CA 0.224 56.311 56.100 -0.022 0.000 0.946 212 R CB 0.460 30.746 30.300 -0.023 0.000 0.991 212 R HN 0.559 nan 8.270 nan 0.000 0.448 213 V N -0.042 119.859 119.914 -0.022 0.000 2.720 213 V HA -0.075 4.045 4.120 0.000 0.000 0.256 213 V C 0.905 177.000 176.094 0.002 0.000 1.082 213 V CA 1.081 63.374 62.300 -0.011 0.000 1.101 213 V CB -0.224 31.587 31.823 -0.019 0.000 0.693 213 V HN 0.524 nan 8.190 nan 0.000 0.479 214 S N -1.005 114.696 115.700 0.001 0.000 2.526 214 S HA 0.774 5.244 4.470 0.000 0.000 0.293 214 S C 0.844 175.444 174.600 -0.000 0.000 1.092 214 S CA -0.121 58.087 58.200 0.013 0.000 0.980 214 S CB 1.874 65.089 63.200 0.026 0.000 1.048 214 S HN 0.711 nan 8.310 nan 0.000 0.483 215 A N 3.262 126.081 122.820 -0.001 0.000 2.070 215 A HA -0.042 4.278 4.320 0.000 0.000 0.220 215 A C 1.776 179.353 177.584 -0.013 0.000 1.159 215 A CA 1.258 53.290 52.037 -0.009 0.000 0.656 215 A CB -0.477 18.516 19.000 -0.012 0.000 0.800 215 A HN 0.899 nan 8.150 nan 0.000 0.453 216 Q N -1.030 118.763 119.800 -0.012 0.000 2.424 216 Q HA 0.196 4.536 4.340 0.000 0.000 0.204 216 Q C 0.212 176.206 176.000 -0.010 0.000 0.933 216 Q CA -0.020 55.774 55.803 -0.014 0.000 0.929 216 Q CB 0.028 28.755 28.738 -0.018 0.000 1.037 216 Q HN 0.657 nan 8.270 nan 0.000 0.511 217 M N 1.514 121.108 119.600 -0.010 0.000 2.250 217 M HA 0.223 4.703 4.480 0.000 0.000 0.344 217 M C -2.138 174.153 176.300 -0.014 0.000 1.150 217 M CA -2.024 53.269 55.300 -0.013 0.000 1.147 217 M CB 0.390 32.978 32.600 -0.020 0.000 1.498 217 M HN -0.192 nan 8.290 nan 0.000 0.461 218 P HA -0.020 nan 4.420 nan 0.000 0.269 218 P C -0.157 177.135 177.300 -0.014 0.000 1.211 218 P CA 0.054 63.147 63.100 -0.012 0.000 0.781 218 P CB 0.489 32.184 31.700 -0.009 0.000 0.877 219 K N 1.033 121.425 120.400 -0.013 0.000 2.379 219 K HA 0.056 4.376 4.320 0.000 0.000 0.194 219 K C 0.486 177.079 176.600 -0.012 0.000 1.031 219 K CA 0.809 57.087 56.287 -0.016 0.000 1.037 219 K CB 0.142 32.630 32.500 -0.019 0.000 0.824 219 K HN 0.577 nan 8.250 nan 0.000 0.516 220 K N -0.780 119.617 120.400 -0.005 0.000 2.557 220 K HA 0.381 4.701 4.320 0.000 0.000 0.257 220 K C -1.260 175.345 176.600 0.008 0.000 0.933 220 K CA -0.733 55.557 56.287 0.005 0.000 0.820 220 K CB 1.984 34.486 32.500 0.002 0.000 1.330 220 K HN -0.285 nan 8.250 nan 0.000 0.432 221 V N 2.045 121.970 119.914 0.019 0.000 2.483 221 V HA 0.429 4.549 4.120 0.000 0.000 0.297 221 V C -0.283 175.828 176.094 0.027 0.000 1.027 221 V CA -0.527 61.784 62.300 0.019 0.000 0.855 221 V CB 1.837 33.670 31.823 0.017 0.000 0.995 221 V HN 0.998 nan 8.190 nan 0.000 0.424 222 T N 0.078 114.645 114.554 0.021 0.000 2.929 222 T HA 0.541 4.891 4.350 0.000 0.000 0.284 222 T C 0.124 174.837 174.700 0.021 0.000 1.014 222 T CA -0.276 61.837 62.100 0.022 0.000 1.051 222 T CB 1.296 70.174 68.868 0.016 0.000 1.028 222 T HN 0.769 nan 8.240 nan 0.000 0.485 223 D N 0.340 120.753 120.400 0.022 0.000 2.689 223 D HA -0.153 4.487 4.640 0.000 0.000 0.237 223 D C 0.301 176.617 176.300 0.026 0.000 1.148 223 D CA 0.840 54.852 54.000 0.020 0.000 0.656 223 D CB -1.252 39.557 40.800 0.015 0.000 1.050 223 D HN 1.103 nan 8.370 nan 0.000 0.426 224 A N 1.410 124.251 122.820 0.035 0.000 2.477 224 A HA 0.375 4.696 4.320 0.000 0.000 0.246 224 A C 0.542 178.154 177.584 0.046 0.000 1.078 224 A CA 0.147 52.210 52.037 0.044 0.000 0.770 224 A CB 0.593 19.632 19.000 0.064 0.000 1.011 224 A HN 0.156 nan 8.150 nan 0.000 0.494 225 K N 3.185 123.611 120.400 0.043 0.000 2.347 225 K HA 0.399 4.719 4.320 0.000 0.000 0.262 225 K C -0.938 175.697 176.600 0.058 0.000 1.052 225 K CA 0.157 56.471 56.287 0.044 0.000 0.946 225 K CB 0.925 33.444 32.500 0.031 0.000 1.220 225 K HN 0.638 nan 8.250 nan 0.000 0.450 226 I N 2.033 122.653 120.570 0.083 0.000 2.353 226 I HA 0.286 4.456 4.170 0.000 0.000 0.293 226 I C 0.275 176.460 176.117 0.114 0.000 0.992 226 I CA -0.655 60.724 61.300 0.133 0.000 1.268 226 I CB 1.586 39.706 38.000 0.199 0.000 1.387 226 I HN 0.433 nan 8.210 nan 0.000 0.478 227 A N 7.675 130.566 122.820 0.119 0.000 2.337 227 A HA 0.840 5.160 4.320 0.000 0.000 0.329 227 A C -0.778 176.892 177.584 0.143 0.000 1.146 227 A CA -0.545 51.550 52.037 0.097 0.000 0.800 227 A CB 0.933 19.968 19.000 0.057 0.000 1.220 227 A HN 0.703 nan 8.150 nan 0.000 0.472 228 L N 3.154 124.441 121.223 0.107 0.000 2.345 228 L HA 0.419 4.759 4.340 0.000 0.000 0.274 228 L C -0.980 175.933 176.870 0.072 0.000 0.999 228 L CA -0.090 54.815 54.840 0.108 0.000 0.849 228 L CB 1.027 43.131 42.059 0.075 0.000 1.220 228 L HN 0.564 nan 8.230 nan 0.000 0.422 229 L N 3.352 124.620 121.223 0.075 0.000 2.307 229 L HA 0.381 4.721 4.340 0.000 0.000 0.284 229 L C 0.721 177.621 176.870 0.049 0.000 1.023 229 L CA -0.502 54.368 54.840 0.051 0.000 0.810 229 L CB 1.759 43.844 42.059 0.043 0.000 1.231 229 L HN 0.623 nan 8.230 nan 0.000 0.423 230 N N 0.748 119.469 118.700 0.035 0.000 2.322 230 N HA -0.021 4.719 4.740 0.000 0.000 0.181 230 N C 0.445 175.970 175.510 0.025 0.000 1.088 230 N CA -0.277 52.791 53.050 0.030 0.000 0.885 230 N CB -0.304 38.196 38.487 0.023 0.000 1.013 230 N HN 0.586 nan 8.380 nan 0.000 0.472 231 C N 0.245 119.558 119.300 0.022 0.000 2.595 231 C HA 0.849 5.309 4.460 0.000 0.000 0.384 231 C C 0.949 175.950 174.990 0.019 0.000 1.289 231 C CA -1.450 57.579 59.018 0.018 0.000 2.372 231 C CB -0.180 27.570 27.740 0.015 0.000 2.593 231 C HN 0.479 nan 8.230 nan 0.000 0.639 232 A N 2.433 125.262 122.820 0.015 0.000 2.401 232 A HA 0.596 4.916 4.320 0.000 0.000 0.259 232 A C 0.040 177.631 177.584 0.012 0.000 1.103 232 A CA -0.516 51.529 52.037 0.014 0.000 0.789 232 A CB -0.162 18.845 19.000 0.011 0.000 1.035 232 A HN 0.879 nan 8.150 nan 0.000 0.491 233 I N 2.835 123.412 120.570 0.011 0.000 2.317 233 I HA 0.266 4.436 4.170 0.000 0.000 0.286 233 I C -0.284 175.838 176.117 0.009 0.000 1.119 233 I CA -0.061 61.245 61.300 0.011 0.000 1.228 233 I CB -0.211 37.796 38.000 0.011 0.000 1.476 233 I HN 0.828 nan 8.210 nan 0.000 0.514 234 E N 3.908 124.115 120.200 0.010 0.000 2.445 234 E HA 0.544 4.894 4.350 0.000 0.000 0.273 234 E C -0.693 175.917 176.600 0.016 0.000 0.961 234 E CA -1.045 55.361 56.400 0.010 0.000 0.807 234 E CB 1.127 30.829 29.700 0.004 0.000 1.362 234 E HN 0.095 nan 8.360 nan 0.000 0.453 235 I N 1.466 122.048 120.570 0.020 0.000 2.705 235 I HA 0.071 4.241 4.170 0.000 0.000 0.291 235 I C 0.209 176.338 176.117 0.019 0.000 1.146 235 I CA 0.114 61.429 61.300 0.025 0.000 1.383 235 I CB -0.732 37.288 38.000 0.032 0.000 1.454 235 I HN 0.375 nan 8.210 nan 0.000 0.581 236 K N 7.158 127.568 120.400 0.017 0.000 2.412 236 K HA 0.143 4.463 4.320 0.000 0.000 0.281 236 K C -0.034 176.576 176.600 0.017 0.000 1.027 236 K CA 0.049 56.345 56.287 0.014 0.000 0.989 236 K CB 0.407 32.914 32.500 0.012 0.000 0.935 236 K HN 0.688 nan 8.250 nan 0.000 0.475 237 E N 1.644 121.852 120.200 0.013 0.000 2.227 237 E HA 0.251 4.601 4.350 0.000 0.000 0.268 237 E C -0.746 175.861 176.600 0.010 0.000 0.907 237 E CA -1.110 55.298 56.400 0.013 0.000 0.786 237 E CB 1.371 31.076 29.700 0.008 0.000 1.191 237 E HN 0.487 nan 8.360 nan 0.000 0.411 238 T N 1.062 115.622 114.554 0.011 0.000 2.906 238 T HA -0.038 4.312 4.350 0.000 0.000 0.320 238 T C 0.729 175.433 174.700 0.006 0.000 1.088 238 T CA 0.146 62.252 62.100 0.009 0.000 1.120 238 T CB 0.512 69.387 68.868 0.011 0.000 1.000 238 T HN 0.590 nan 8.240 nan 0.000 0.550 239 E N 1.374 121.577 120.200 0.006 0.000 2.153 239 E HA 0.020 4.370 4.350 0.000 0.000 0.194 239 E C 1.270 177.872 176.600 0.003 0.000 0.988 239 E CA 1.275 57.677 56.400 0.004 0.000 0.811 239 E CB -0.333 29.370 29.700 0.004 0.000 0.746 239 E HN 0.868 nan 8.360 nan 0.000 0.466 240 T N -0.709 113.847 114.554 0.003 0.000 2.868 240 T HA 0.095 4.445 4.350 0.000 0.000 0.292 240 T C 0.207 174.907 174.700 0.000 0.000 1.028 240 T CA -0.915 61.187 62.100 0.002 0.000 1.059 240 T CB 1.072 69.942 68.868 0.004 0.000 0.991 240 T HN -0.174 nan 8.240 nan 0.000 0.531 241 D N 1.069 121.468 120.400 -0.001 0.000 2.382 241 D HA 0.431 5.071 4.640 0.000 0.000 0.259 241 D C -0.345 175.952 176.300 -0.005 0.000 1.224 241 D CA 0.175 54.173 54.000 -0.004 0.000 0.894 241 D CB -0.152 40.645 40.800 -0.005 0.000 1.127 241 D HN 0.938 nan 8.370 nan 0.000 0.487 242 A N 3.705 126.520 122.820 -0.009 0.000 2.587 242 A HA 0.724 5.044 4.320 0.000 0.000 0.293 242 A C -1.061 176.508 177.584 -0.026 0.000 1.087 242 A CA -0.803 51.227 52.037 -0.012 0.000 0.692 242 A CB 1.498 20.495 19.000 -0.003 0.000 1.291 242 A HN 0.614 nan 8.150 nan 0.000 0.407 243 E N 0.491 120.667 120.200 -0.040 0.000 2.392 243 E HA 0.593 4.943 4.350 0.000 0.000 0.279 243 E C -1.597 174.932 176.600 -0.118 0.000 0.964 243 E CA -0.913 55.444 56.400 -0.072 0.000 0.777 243 E CB 1.087 30.748 29.700 -0.065 0.000 1.249 243 E HN 0.317 nan 8.360 nan 0.000 0.449 244 I N 1.797 122.242 120.570 -0.207 0.000 2.556 244 I HA 0.101 4.271 4.170 0.000 0.000 0.284 244 I C 0.174 176.088 176.117 -0.339 0.000 1.114 244 I CA 0.001 61.047 61.300 -0.425 0.000 1.418 244 I CB 0.289 37.859 38.000 -0.717 0.000 1.394 244 I HN 0.343 nan 8.210 nan 0.000 0.552 245 R N 7.057 127.388 120.500 -0.282 0.000 2.332 245 R HA 0.381 4.721 4.340 0.000 0.000 0.306 245 R C -0.674 175.592 176.300 -0.056 0.000 1.117 245 R CA -0.861 55.168 56.100 -0.117 0.000 1.108 245 R CB 0.382 30.666 30.300 -0.027 0.000 1.126 245 R HN 0.418 nan 8.270 nan 0.000 0.548 246 I N 2.689 123.211 120.570 -0.079 0.000 2.648 246 I HA -0.049 4.121 4.170 0.000 0.000 0.284 246 I C 1.707 177.867 176.117 0.071 0.000 1.153 246 I CA 0.789 62.112 61.300 0.038 0.000 1.426 246 I CB 0.641 38.646 38.000 0.008 0.000 1.381 246 I HN 0.536 nan 8.210 nan 0.000 0.571 247 T N -0.126 114.498 114.554 0.116 0.000 2.975 247 T HA 0.218 4.568 4.350 0.000 0.000 0.261 247 T C 0.240 174.977 174.700 0.062 0.000 0.984 247 T CA -0.232 61.915 62.100 0.078 0.000 0.911 247 T CB 0.747 69.664 68.868 0.081 0.000 1.127 247 T HN 0.616 nan 8.240 nan 0.000 0.514 248 D N 0.464 120.908 120.400 0.074 0.000 2.769 248 D HA 0.275 4.915 4.640 0.000 0.000 0.219 248 D C -2.559 173.777 176.300 0.059 0.000 1.245 248 D CA -1.479 52.553 54.000 0.053 0.000 0.801 248 D CB 2.540 43.365 40.800 0.041 0.000 1.598 248 D HN -0.325 nan 8.370 nan 0.000 0.485 249 P HA -0.135 nan 4.420 nan 0.000 0.218 249 P C 0.950 178.275 177.300 0.043 0.000 1.146 249 P CA 1.610 64.734 63.100 0.040 0.000 0.820 249 P CB 0.303 32.019 31.700 0.027 0.000 0.778 250 A N -0.624 122.218 122.820 0.037 0.000 1.873 250 A HA -0.181 4.139 4.320 0.000 0.000 0.215 250 A C 2.128 179.736 177.584 0.039 0.000 1.186 250 A CA 1.724 53.778 52.037 0.029 0.000 0.616 250 A CB -0.938 18.071 19.000 0.014 0.000 0.823 250 A HN 0.027 nan 8.150 nan 0.000 0.442 251 K N -0.524 119.912 120.400 0.059 0.000 2.152 251 K HA -0.078 4.243 4.320 0.000 0.000 0.206 251 K C 1.700 178.448 176.600 0.247 0.000 1.048 251 K CA 0.961 57.306 56.287 0.097 0.000 0.933 251 K CB -0.520 32.074 32.500 0.156 0.000 0.721 251 K HN 0.398 nan 8.250 nan 0.000 0.447 252 L N 0.165 121.505 121.223 0.195 0.000 2.043 252 L HA -0.199 4.141 4.340 0.000 0.000 0.212 252 L C 1.749 178.717 176.870 0.164 0.000 1.075 252 L CA 1.823 56.771 54.840 0.179 0.000 0.752 252 L CB -0.263 41.851 42.059 0.092 0.000 0.891 252 L HN 0.215 nan 8.230 nan 0.000 0.432 253 M N -1.289 118.376 119.600 0.108 0.000 2.236 253 M HA -0.110 4.370 4.480 0.000 0.000 0.266 253 M C 2.210 178.547 176.300 0.061 0.000 1.070 253 M CA 1.275 56.620 55.300 0.074 0.000 1.137 253 M CB -1.089 31.537 32.600 0.044 0.000 1.378 253 M HN 0.395 nan 8.290 nan 0.000 0.426 254 E N 0.069 120.285 120.200 0.026 0.000 2.085 254 E HA -0.189 4.161 4.350 0.000 0.000 0.194 254 E C 1.899 178.446 176.600 -0.090 0.000 0.994 254 E CA 1.281 57.640 56.400 -0.068 0.000 0.801 254 E CB -0.039 29.562 29.700 -0.164 0.000 0.743 254 E HN 0.384 nan 8.360 nan 0.000 0.453 255 F N 0.495 120.451 119.950 0.010 0.000 2.134 255 F HA -0.140 4.387 4.527 0.000 0.000 0.299 255 F C 2.212 178.021 175.800 0.014 0.000 1.097 255 F CA 0.934 58.940 58.000 0.010 0.000 1.264 255 F CB -0.067 38.938 39.000 0.009 0.000 1.001 255 F HN 0.055 nan 8.300 nan 0.000 0.479 256 I N -0.321 120.372 120.570 0.205 0.000 2.226 256 I HA -0.231 3.939 4.170 0.000 0.000 0.245 256 I C 2.253 178.426 176.117 0.093 0.000 1.100 256 I CA 1.139 62.515 61.300 0.127 0.000 1.374 256 I CB -0.371 37.687 38.000 0.096 0.000 1.057 256 I HN 0.095 nan 8.210 nan 0.000 0.413 257 E N 0.279 120.520 120.200 0.069 0.000 2.150 257 E HA -0.257 4.093 4.350 0.000 0.000 0.193 257 E C 2.018 178.636 176.600 0.030 0.000 0.985 257 E CA 0.973 57.401 56.400 0.045 0.000 0.814 257 E CB -0.201 29.513 29.700 0.023 0.000 0.752 257 E HN 0.433 nan 8.360 nan 0.000 0.466 258 Q N 1.202 121.012 119.800 0.017 0.000 2.084 258 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 258 Q C 1.827 177.844 176.000 0.029 0.000 0.978 258 Q CA 1.358 57.160 55.803 -0.002 0.000 0.844 258 Q CB 0.039 28.753 28.738 -0.041 0.000 0.898 258 Q HN 0.095 nan 8.270 nan 0.000 0.426 259 E N 0.219 120.459 120.200 0.067 0.000 2.150 259 E HA -0.149 4.201 4.350 0.000 0.000 0.193 259 E C 1.823 178.462 176.600 0.065 0.000 0.985 259 E CA 0.885 57.327 56.400 0.070 0.000 0.814 259 E CB 0.000 29.754 29.700 0.089 0.000 0.752 259 E HN 0.487 nan 8.360 nan 0.000 0.466 260 E N 0.924 121.173 120.200 0.082 0.000 2.072 260 E HA -0.162 4.188 4.350 0.000 0.000 0.191 260 E C 2.024 178.635 176.600 0.018 0.000 0.985 260 E CA 0.737 57.212 56.400 0.125 0.000 0.801 260 E CB -0.147 29.645 29.700 0.154 0.000 0.750 260 E HN 0.222 nan 8.360 nan 0.000 0.452 261 K N 0.508 120.900 120.400 -0.014 0.000 2.057 261 K HA -0.092 4.228 4.320 0.000 0.000 0.207 261 K C 2.282 178.821 176.600 -0.102 0.000 1.049 261 K CA 1.075 57.318 56.287 -0.072 0.000 0.931 261 K CB -0.044 32.431 32.500 -0.042 0.000 0.714 261 K HN 0.014 nan 8.250 nan 0.000 0.440 262 M N 0.428 119.995 119.600 -0.055 0.000 2.065 262 M HA -0.212 4.268 4.480 0.000 0.000 0.259 262 M C 2.214 178.467 176.300 -0.079 0.000 1.069 262 M CA 1.389 56.660 55.300 -0.047 0.000 1.110 262 M CB -0.301 32.294 32.600 -0.009 0.000 1.328 262 M HN 0.191 nan 8.290 nan 0.000 0.405 263 L N 0.224 121.398 121.223 -0.082 0.000 2.109 263 L HA -0.095 4.245 4.340 0.000 0.000 0.207 263 L C 2.278 178.971 176.870 -0.296 0.000 1.086 263 L CA 1.783 56.572 54.840 -0.085 0.000 0.760 263 L CB -0.619 41.475 42.059 0.058 0.000 0.910 263 L HN 0.173 nan 8.230 nan 0.000 0.437 264 K N -0.665 119.352 120.400 -0.638 0.000 2.063 264 K HA -0.204 4.116 4.320 0.000 0.000 0.208 264 K C 1.590 177.958 176.600 -0.386 0.000 1.048 264 K CA 1.820 57.546 56.287 -0.934 0.000 0.928 264 K CB -0.060 31.909 32.500 -0.886 0.000 0.713 264 K HN 0.336 nan 8.250 nan 0.000 0.442 265 D N 0.366 120.624 120.400 -0.237 0.000 2.144 265 D HA -0.128 4.512 4.640 0.000 0.000 0.200 265 D C 1.906 178.149 176.300 -0.096 0.000 0.978 265 D CA 1.110 55.031 54.000 -0.132 0.000 0.833 265 D CB -0.048 40.697 40.800 -0.092 0.000 0.961 265 D HN 0.295 nan 8.370 nan 0.000 0.470 266 M N 0.032 119.576 119.600 -0.093 0.000 2.080 266 M HA -0.155 4.325 4.480 0.000 0.000 0.260 266 M C 2.275 178.550 176.300 -0.040 0.000 1.068 266 M CA 1.079 56.348 55.300 -0.053 0.000 1.109 266 M CB -0.212 32.365 32.600 -0.038 0.000 1.342 266 M HN -0.103 nan 8.290 nan 0.000 0.405 267 V N 0.193 120.074 119.914 -0.054 0.000 2.427 267 V HA -0.200 3.920 4.120 0.000 0.000 0.248 267 V C 2.590 178.671 176.094 -0.022 0.000 1.051 267 V CA 1.803 64.092 62.300 -0.019 0.000 1.048 267 V CB -1.117 30.717 31.823 0.018 0.000 0.666 267 V HN 0.521 nan 8.190 nan 0.000 0.456 268 A N -0.428 122.361 122.820 -0.051 0.000 1.978 268 A HA -0.199 4.121 4.320 0.000 0.000 0.220 268 A C 2.189 179.758 177.584 -0.024 0.000 1.170 268 A CA 1.615 53.630 52.037 -0.037 0.000 0.636 268 A CB -0.317 18.649 19.000 -0.056 0.000 0.810 268 A HN 0.536 nan 8.150 nan 0.000 0.448 269 E N -0.119 120.066 120.200 -0.025 0.000 2.107 269 E HA -0.074 4.276 4.350 0.000 0.000 0.191 269 E C 1.979 178.575 176.600 -0.007 0.000 0.982 269 E CA 0.835 57.226 56.400 -0.015 0.000 0.809 269 E CB -0.359 29.331 29.700 -0.016 0.000 0.756 269 E HN 0.741 nan 8.360 nan 0.000 0.459 270 I N 1.349 121.916 120.570 -0.005 0.000 2.226 270 I HA -0.247 3.923 4.170 0.000 0.000 0.245 270 I C 2.635 178.755 176.117 0.004 0.000 1.100 270 I CA 1.039 62.341 61.300 0.002 0.000 1.374 270 I CB -0.256 37.746 38.000 0.004 0.000 1.057 270 I HN -0.019 nan 8.210 nan 0.000 0.413 271 K N 1.663 122.064 120.400 0.002 0.000 2.057 271 K HA -0.141 4.179 4.320 0.000 0.000 0.207 271 K C 2.126 178.728 176.600 0.003 0.000 1.049 271 K CA 1.758 58.048 56.287 0.004 0.000 0.931 271 K CB -0.241 32.262 32.500 0.005 0.000 0.714 271 K HN 0.296 nan 8.250 nan 0.000 0.440 272 A N 0.626 123.446 122.820 -0.000 0.000 2.024 272 A HA -0.107 4.213 4.320 0.000 0.000 0.220 272 A C 2.202 179.787 177.584 0.003 0.000 1.164 272 A CA 1.964 54.000 52.037 -0.000 0.000 0.643 272 A CB -0.468 18.529 19.000 -0.004 0.000 0.806 272 A HN 0.380 nan 8.150 nan 0.000 0.451 273 S N -1.722 113.981 115.700 0.005 0.000 2.419 273 S HA 0.205 4.675 4.470 0.000 0.000 0.233 273 S C 1.648 176.254 174.600 0.011 0.000 1.016 273 S CA 1.303 59.508 58.200 0.008 0.000 0.974 273 S CB -0.199 63.007 63.200 0.010 0.000 0.786 273 S HN 1.674 nan 8.310 nan 0.000 0.492 274 G N 0.668 109.474 108.800 0.010 0.000 2.179 274 G HA2 -0.122 3.838 3.960 0.000 0.000 0.220 274 G HA3 -0.122 3.838 3.960 0.000 0.000 0.220 274 G C 0.135 175.044 174.900 0.014 0.000 0.990 274 G CA -0.124 44.983 45.100 0.011 0.000 0.646 274 G HN 0.859 nan 8.290 nan 0.000 0.517 275 A N 0.510 123.339 122.820 0.014 0.000 2.425 275 A HA 0.598 4.918 4.320 0.000 0.000 0.249 275 A C 1.082 178.671 177.584 0.008 0.000 1.084 275 A CA 1.036 53.083 52.037 0.016 0.000 0.781 275 A CB 0.256 19.266 19.000 0.017 0.000 1.019 275 A HN 1.217 nan 8.150 nan 0.000 0.490 276 N N 0.048 118.752 118.700 0.007 0.000 2.067 276 N HA 0.113 4.853 4.740 0.000 0.000 0.227 276 N C -0.856 174.640 175.510 -0.022 0.000 1.348 276 N CA 0.210 53.258 53.050 -0.004 0.000 0.879 276 N CB 0.311 38.800 38.487 0.003 0.000 1.109 276 N HN 0.260 nan 8.380 nan 0.000 0.501 277 V N 1.620 121.521 119.914 -0.021 0.000 2.540 277 V HA 0.620 4.740 4.120 0.000 0.000 0.302 277 V C -1.262 174.777 176.094 -0.092 0.000 1.035 277 V CA -0.879 61.376 62.300 -0.075 0.000 0.873 277 V CB 1.880 33.702 31.823 -0.002 0.000 0.992 277 V HN 0.217 nan 8.190 nan 0.000 0.428 278 L N 5.292 126.366 121.223 -0.247 0.000 2.438 278 L HA 0.732 5.072 4.340 0.000 0.000 0.270 278 L C -1.659 174.976 176.870 -0.391 0.000 0.972 278 L CA -0.030 54.704 54.840 -0.177 0.000 0.831 278 L CB 1.730 43.735 42.059 -0.090 0.000 1.273 278 L HN 0.466 nan 8.230 nan 0.000 0.405 279 F N 4.558 124.519 119.950 0.017 0.000 2.449 279 F HA 0.559 5.086 4.527 -0.000 0.000 0.342 279 F C 0.006 175.814 175.800 0.013 0.000 1.127 279 F CA -0.411 57.599 58.000 0.016 0.000 0.975 279 F CB 1.702 40.711 39.000 0.016 0.000 1.146 279 F HN 0.565 nan 8.300 nan 0.000 0.444 280 C N 4.737 124.130 119.300 0.154 0.000 2.322 280 C HA 0.276 4.736 4.460 0.000 0.000 0.324 280 C C 1.522 176.570 174.990 0.096 0.000 1.284 280 C CA -0.417 58.658 59.018 0.096 0.000 1.606 280 C CB 0.980 28.750 27.740 0.049 0.000 2.251 280 C HN 0.958 nan 8.230 nan 0.000 0.502 281 Q N 3.105 122.949 119.800 0.074 0.000 2.119 281 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 281 Q C 0.818 176.844 176.000 0.042 0.000 0.972 281 Q CA 1.589 57.425 55.803 0.055 0.000 0.847 281 Q CB 0.171 28.932 28.738 0.038 0.000 0.903 281 Q HN 0.756 nan 8.270 nan 0.000 0.433 282 K N -1.067 119.354 120.400 0.036 0.000 2.520 282 K HA 0.416 4.737 4.320 0.000 0.000 0.256 282 K C 0.327 176.942 176.600 0.025 0.000 1.033 282 K CA -0.183 56.120 56.287 0.026 0.000 1.007 282 K CB 0.071 32.583 32.500 0.020 0.000 1.330 282 K HN 0.102 nan 8.250 nan 0.000 0.507 283 G N 0.351 109.161 108.800 0.017 0.000 2.569 283 G HA2 0.388 4.348 3.960 0.000 0.000 0.249 283 G HA3 0.388 4.348 3.960 0.000 0.000 0.249 283 G C -0.486 174.417 174.900 0.006 0.000 1.216 283 G CA -0.498 44.608 45.100 0.010 0.000 0.845 283 G HN 0.367 nan 8.290 nan 0.000 0.568 284 I N 0.919 121.488 120.570 -0.003 0.000 2.439 284 I HA 0.150 4.320 4.170 0.000 0.000 0.285 284 I C -0.409 175.689 176.117 -0.031 0.000 1.021 284 I CA -0.766 60.527 61.300 -0.012 0.000 1.091 284 I CB 1.934 39.925 38.000 -0.014 0.000 1.242 284 I HN 0.422 nan 8.210 nan 0.000 0.439 285 D N 5.228 125.607 120.400 -0.035 0.000 2.455 285 D HA -0.054 4.586 4.640 0.000 0.000 0.241 285 D C 0.668 176.890 176.300 -0.130 0.000 1.138 285 D CA 0.174 54.138 54.000 -0.061 0.000 0.877 285 D CB 1.313 42.088 40.800 -0.041 0.000 1.187 285 D HN 0.480 nan 8.370 nan 0.000 0.451 286 D N 2.861 123.151 120.400 -0.182 0.000 2.172 286 D HA -0.202 4.438 4.640 0.000 0.000 0.196 286 D C 1.746 177.554 176.300 -0.820 0.000 0.999 286 D CA 0.667 54.444 54.000 -0.370 0.000 0.856 286 D CB 0.005 40.641 40.800 -0.274 0.000 0.934 286 D HN 0.371 nan 8.370 nan 0.000 0.453 287 L N 0.623 121.527 121.223 -0.532 0.000 2.083 287 L HA -0.071 4.269 4.340 0.000 0.000 0.209 287 L C 2.105 178.856 176.870 -0.199 0.000 1.083 287 L CA 1.725 56.312 54.840 -0.423 0.000 0.752 287 L CB -0.698 41.304 42.059 -0.095 0.000 0.899 287 L HN -0.012 nan 8.230 nan 0.000 0.433 288 A N -1.174 121.609 122.820 -0.061 0.000 1.933 288 A HA -0.241 4.079 4.320 0.000 0.000 0.218 288 A C 2.166 179.769 177.584 0.030 0.000 1.175 288 A CA 1.695 53.777 52.037 0.074 0.000 0.628 288 A CB -0.536 18.486 19.000 0.038 0.000 0.814 288 A HN 0.651 nan 8.150 nan 0.000 0.444 289 Q N -1.054 118.697 119.800 -0.081 0.000 2.170 289 Q HA -0.184 4.156 4.340 0.000 0.000 0.203 289 Q C 1.786 177.814 176.000 0.047 0.000 0.976 289 Q CA 1.562 57.346 55.803 -0.033 0.000 0.858 289 Q CB -0.339 28.367 28.738 -0.053 0.000 0.907 289 Q HN 0.891 nan 8.270 nan 0.000 0.433 290 H N -1.341 117.671 119.070 -0.098 0.000 2.389 290 H HA -0.124 4.432 4.556 0.000 0.000 0.299 290 H C 1.307 176.520 175.328 -0.192 0.000 1.081 290 H CA 1.031 56.963 56.048 -0.194 0.000 1.345 290 H CB 0.108 29.669 29.762 -0.334 0.000 1.393 290 H HN 0.305 nan 8.280 nan 0.000 0.520 291 Y N 0.383 120.749 120.300 0.109 0.000 2.365 291 Y HA -0.082 4.468 4.550 0.000 0.000 0.293 291 Y C 2.405 178.322 175.900 0.029 0.000 1.119 291 Y CA 0.086 58.218 58.100 0.054 0.000 1.203 291 Y CB 0.117 38.596 38.460 0.033 0.000 1.026 291 Y HN 0.072 nan 8.280 nan 0.000 0.549 292 L N -0.615 120.707 121.223 0.166 0.000 2.083 292 L HA -0.246 4.094 4.340 0.000 0.000 0.209 292 L C 2.649 179.552 176.870 0.055 0.000 1.083 292 L CA 1.069 55.959 54.840 0.083 0.000 0.752 292 L CB -0.630 41.455 42.059 0.044 0.000 0.899 292 L HN 0.240 nan 8.230 nan 0.000 0.433 293 A N -0.163 122.689 122.820 0.053 0.000 1.969 293 A HA -0.238 4.082 4.320 0.000 0.000 0.218 293 A C 2.372 179.975 177.584 0.032 0.000 1.169 293 A CA 1.697 53.752 52.037 0.031 0.000 0.635 293 A CB -0.384 18.630 19.000 0.023 0.000 0.810 293 A HN 0.322 nan 8.150 nan 0.000 0.445 294 K N -0.366 120.069 120.400 0.058 0.000 2.097 294 K HA -0.145 4.175 4.320 0.000 0.000 0.206 294 K C 1.029 177.657 176.600 0.047 0.000 1.049 294 K CA 1.512 57.835 56.287 0.060 0.000 0.933 294 K CB -0.003 32.565 32.500 0.112 0.000 0.717 294 K HN 0.353 nan 8.250 nan 0.000 0.442 295 E N -0.759 119.470 120.200 0.048 0.000 2.474 295 E HA 0.059 4.409 4.350 0.000 0.000 0.195 295 E C 0.602 177.213 176.600 0.018 0.000 1.039 295 E CA 0.628 57.047 56.400 0.031 0.000 0.881 295 E CB 0.880 30.599 29.700 0.031 0.000 0.970 295 E HN 0.540 nan 8.360 nan 0.000 0.486 296 G N 2.117 110.926 108.800 0.016 0.000 2.176 296 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 296 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 296 G C 0.231 175.130 174.900 -0.002 0.000 1.024 296 G CA 0.107 45.210 45.100 0.005 0.000 0.755 296 G HN 0.273 nan 8.290 nan 0.000 0.507 297 I N 0.993 121.562 120.570 -0.002 0.000 2.352 297 I HA 0.378 4.548 4.170 0.000 0.000 0.290 297 I C 1.125 177.219 176.117 -0.037 0.000 1.036 297 I CA -0.955 60.334 61.300 -0.017 0.000 1.336 297 I CB 1.375 39.368 38.000 -0.011 0.000 1.407 297 I HN 0.165 nan 8.210 nan 0.000 0.497 298 V N 4.070 123.947 119.914 -0.061 0.000 2.546 298 V HA 0.889 5.009 4.120 0.000 0.000 0.284 298 V C 0.115 176.107 176.094 -0.170 0.000 1.050 298 V CA -0.215 62.029 62.300 -0.094 0.000 0.981 298 V CB 1.119 32.889 31.823 -0.088 0.000 0.990 298 V HN 0.830 nan 8.190 nan 0.000 0.474 299 A N 3.709 126.424 122.820 -0.174 0.000 2.539 299 A HA 1.020 5.340 4.320 0.000 0.000 0.296 299 A C -0.357 177.100 177.584 -0.212 0.000 1.073 299 A CA -0.354 51.547 52.037 -0.226 0.000 0.700 299 A CB 1.904 20.831 19.000 -0.122 0.000 1.296 299 A HN 2.417 nan 8.150 nan 0.000 0.405 300 A N 1.525 124.194 122.820 -0.253 0.000 2.381 300 A HA 0.740 5.060 4.320 0.000 0.000 0.299 300 A C -0.093 177.499 177.584 0.012 0.000 1.049 300 A CA -0.595 51.393 52.037 -0.083 0.000 0.715 300 A CB 0.924 19.923 19.000 -0.002 0.000 1.222 300 A HN 1.277 nan 8.150 nan 0.000 0.428 301 R N 2.020 122.538 120.500 0.029 0.000 2.602 301 R HA 0.696 5.036 4.340 0.000 0.000 0.237 301 R C 0.374 176.711 176.300 0.062 0.000 1.219 301 R CA -0.152 55.973 56.100 0.042 0.000 1.121 301 R CB 0.340 30.651 30.300 0.017 0.000 1.408 301 R HN 1.067 nan 8.270 nan 0.000 0.559 302 R N -1.198 119.331 120.500 0.049 0.000 3.502 302 R HA -0.130 4.210 4.340 0.000 0.000 0.266 302 R C -1.234 175.099 176.300 0.056 0.000 1.077 302 R CA 0.707 56.833 56.100 0.044 0.000 0.718 302 R CB -2.558 27.762 30.300 0.032 0.000 1.120 302 R HN 0.291 nan 8.270 nan 0.000 0.457 303 V N 1.283 121.243 119.914 0.077 0.000 2.614 303 V HA 0.082 4.202 4.120 0.000 0.000 0.291 303 V C 1.179 177.298 176.094 0.042 0.000 1.049 303 V CA -0.177 62.172 62.300 0.081 0.000 1.038 303 V CB 1.410 33.310 31.823 0.129 0.000 0.980 303 V HN 0.329 nan 8.190 nan 0.000 0.481 304 K N 3.072 123.487 120.400 0.024 0.000 2.448 304 K HA 0.024 4.344 4.320 0.000 0.000 0.278 304 K C 1.175 177.774 176.600 -0.001 0.000 1.009 304 K CA -0.289 56.003 56.287 0.009 0.000 0.995 304 K CB 0.525 33.025 32.500 0.001 0.000 0.917 304 K HN 0.616 nan 8.250 nan 0.000 0.481 305 K N 2.310 122.710 120.400 0.001 0.000 2.113 305 K HA -0.188 4.132 4.320 0.000 0.000 0.208 305 K C 1.853 178.443 176.600 -0.016 0.000 1.047 305 K CA 2.127 58.411 56.287 -0.004 0.000 0.928 305 K CB -0.473 32.026 32.500 -0.001 0.000 0.716 305 K HN 0.580 nan 8.250 nan 0.000 0.446 306 S N 0.163 115.852 115.700 -0.018 0.000 2.370 306 S HA -0.154 4.316 4.470 0.000 0.000 0.226 306 S C 1.344 175.919 174.600 -0.042 0.000 1.033 306 S CA 1.759 59.944 58.200 -0.026 0.000 1.011 306 S CB -0.391 62.795 63.200 -0.022 0.000 0.852 306 S HN 0.427 nan 8.310 nan 0.000 0.457 307 D N 0.416 120.786 120.400 -0.050 0.000 2.234 307 D HA 0.025 4.665 4.640 0.000 0.000 0.205 307 D C 1.930 178.159 176.300 -0.118 0.000 0.962 307 D CA 0.606 54.555 54.000 -0.085 0.000 0.855 307 D CB -0.159 40.591 40.800 -0.083 0.000 0.951 307 D HN 0.390 nan 8.370 nan 0.000 0.500 308 M N 0.749 120.301 119.600 -0.080 0.000 2.159 308 M HA -0.098 4.382 4.480 0.000 0.000 0.263 308 M C 1.827 178.089 176.300 -0.064 0.000 1.063 308 M CA 1.232 56.489 55.300 -0.072 0.000 1.110 308 M CB -0.724 31.864 32.600 -0.020 0.000 1.374 308 M HN 0.072 nan 8.290 nan 0.000 0.411 309 E N -0.076 120.094 120.200 -0.051 0.000 2.112 309 E HA -0.126 4.224 4.350 0.000 0.000 0.190 309 E C 2.016 178.584 176.600 -0.054 0.000 0.979 309 E CA 0.790 57.165 56.400 -0.042 0.000 0.814 309 E CB 0.015 29.698 29.700 -0.030 0.000 0.762 309 E HN 0.492 nan 8.360 nan 0.000 0.460 310 K N 0.573 120.931 120.400 -0.070 0.000 2.148 310 K HA -0.075 4.245 4.320 0.000 0.000 0.204 310 K C 2.100 178.642 176.600 -0.098 0.000 1.050 310 K CA 0.749 56.989 56.287 -0.078 0.000 0.942 310 K CB 0.007 32.455 32.500 -0.087 0.000 0.724 310 K HN 0.098 nan 8.250 nan 0.000 0.446 311 L N 0.287 121.429 121.223 -0.136 0.000 2.072 311 L HA -0.131 4.209 4.340 0.000 0.000 0.205 311 L C 2.559 179.377 176.870 -0.088 0.000 1.079 311 L CA 0.971 55.712 54.840 -0.164 0.000 0.752 311 L CB -0.507 41.375 42.059 -0.295 0.000 0.906 311 L HN 0.181 nan 8.230 nan 0.000 0.436 312 A N 0.195 122.978 122.820 -0.062 0.000 1.902 312 A HA -0.208 4.112 4.320 0.000 0.000 0.217 312 A C 2.328 179.900 177.584 -0.020 0.000 1.181 312 A CA 1.638 53.659 52.037 -0.027 0.000 0.623 312 A CB -0.287 18.702 19.000 -0.019 0.000 0.818 312 A HN 0.306 nan 8.150 nan 0.000 0.443 313 K N -0.432 119.952 120.400 -0.028 0.000 2.031 313 K HA 0.028 4.348 4.320 0.000 0.000 0.205 313 K C 2.386 178.978 176.600 -0.013 0.000 1.049 313 K CA 1.067 57.343 56.287 -0.018 0.000 0.939 313 K CB -0.291 32.195 32.500 -0.024 0.000 0.717 313 K HN 0.416 nan 8.250 nan 0.000 0.438 314 A N 1.189 123.992 122.820 -0.028 0.000 1.855 314 A HA -0.146 4.174 4.320 0.000 0.000 0.215 314 A C 2.305 179.882 177.584 -0.011 0.000 1.191 314 A CA 2.226 54.248 52.037 -0.025 0.000 0.613 314 A CB -1.064 17.907 19.000 -0.049 0.000 0.829 314 A HN 0.469 nan 8.150 nan 0.000 0.442 315 T N -4.237 110.308 114.554 -0.015 0.000 3.043 315 T HA 0.352 4.702 4.350 0.000 0.000 0.263 315 T C 1.460 176.171 174.700 0.019 0.000 1.094 315 T CA 1.239 63.341 62.100 0.004 0.000 1.127 315 T CB -0.186 68.687 68.868 0.008 0.000 0.905 315 T HN 1.814 nan 8.240 nan 0.000 0.490 316 G N 1.439 110.248 108.800 0.016 0.000 2.143 316 G HA2 -0.036 3.924 3.960 0.000 0.000 0.248 316 G HA3 -0.036 3.924 3.960 0.000 0.000 0.248 316 G C 0.259 175.172 174.900 0.022 0.000 0.991 316 G CA 0.023 45.137 45.100 0.022 0.000 0.689 316 G HN 1.209 nan 8.290 nan 0.000 0.522 317 A N -0.385 122.447 122.820 0.019 0.000 2.445 317 A HA 0.594 4.914 4.320 0.000 0.000 0.242 317 A C 0.378 177.974 177.584 0.021 0.000 1.075 317 A CA 0.612 52.665 52.037 0.028 0.000 0.777 317 A CB 0.397 19.419 19.000 0.038 0.000 1.013 317 A HN 0.912 nan 8.150 nan 0.000 0.493 318 N N 1.425 120.140 118.700 0.025 0.000 2.417 318 N HA 0.400 5.141 4.740 0.000 0.000 0.274 318 N C -0.867 174.657 175.510 0.023 0.000 0.987 318 N CA -0.373 52.689 53.050 0.019 0.000 0.912 318 N CB 1.318 39.815 38.487 0.017 0.000 1.177 318 N HN 0.334 nan 8.380 nan 0.000 0.490 319 V N 4.056 123.982 119.914 0.019 0.000 2.540 319 V HA 0.102 4.222 4.120 0.000 0.000 0.297 319 V C 0.486 176.592 176.094 0.021 0.000 1.024 319 V CA 0.148 62.462 62.300 0.022 0.000 1.105 319 V CB -0.122 31.711 31.823 0.016 0.000 0.938 319 V HN 0.591 nan 8.190 nan 0.000 0.482 320 I N 4.282 124.867 120.570 0.025 0.000 2.740 320 I HA 0.472 4.642 4.170 0.000 0.000 0.303 320 I C 1.107 177.236 176.117 0.020 0.000 1.044 320 I CA 0.323 61.635 61.300 0.020 0.000 1.064 320 I CB 2.433 40.446 38.000 0.021 0.000 1.249 320 I HN 0.784 nan 8.210 nan 0.000 0.433 321 T N 2.356 116.919 114.554 0.015 0.000 2.904 321 T HA 0.187 4.537 4.350 0.000 0.000 0.243 321 T C 0.781 175.489 174.700 0.013 0.000 1.024 321 T CA 0.283 62.391 62.100 0.014 0.000 1.158 321 T CB -0.341 68.534 68.868 0.011 0.000 0.867 321 T HN 0.429 nan 8.240 nan 0.000 0.429 322 N N 0.633 119.339 118.700 0.010 0.000 2.456 322 N HA 0.364 5.104 4.740 0.000 0.000 0.288 322 N C 0.951 176.466 175.510 0.009 0.000 1.059 322 N CA -0.584 52.471 53.050 0.008 0.000 0.946 322 N CB 1.105 39.596 38.487 0.006 0.000 1.150 322 N HN 0.288 nan 8.380 nan 0.000 0.479 323 I N 2.206 122.780 120.570 0.007 0.000 2.264 323 I HA -0.235 3.935 4.170 0.000 0.000 0.248 323 I C 1.955 178.074 176.117 0.002 0.000 1.111 323 I CA 0.899 62.202 61.300 0.005 0.000 1.382 323 I CB 0.028 38.029 38.000 0.002 0.000 1.060 323 I HN 0.451 nan 8.210 nan 0.000 0.418 324 K N 0.406 120.806 120.400 0.000 0.000 2.211 324 K HA -0.156 4.164 4.320 0.000 0.000 0.203 324 K C 1.423 178.024 176.600 0.001 0.000 1.050 324 K CA 1.214 57.500 56.287 -0.002 0.000 0.945 324 K CB -0.321 32.177 32.500 -0.003 0.000 0.732 324 K HN 0.335 nan 8.250 nan 0.000 0.451 325 D N 0.585 120.987 120.400 0.004 0.000 2.249 325 D HA -0.064 4.576 4.640 0.000 0.000 0.205 325 D C 0.578 176.883 176.300 0.008 0.000 0.962 325 D CA 0.033 54.036 54.000 0.006 0.000 0.860 325 D CB -0.171 40.633 40.800 0.007 0.000 0.955 325 D HN -0.014 nan 8.370 nan 0.000 0.505 326 L N 1.580 122.809 121.223 0.010 0.000 2.628 326 L HA 0.024 4.364 4.340 0.000 0.000 0.274 326 L C 0.328 177.205 176.870 0.011 0.000 1.209 326 L CA 0.236 55.083 54.840 0.013 0.000 0.930 326 L CB 0.042 42.110 42.059 0.015 0.000 1.183 326 L HN -0.056 nan 8.230 nan 0.000 0.492 327 S N 3.355 119.063 115.700 0.013 0.000 2.704 327 S HA 0.800 5.270 4.470 0.000 0.000 0.296 327 S C 0.853 175.462 174.600 0.015 0.000 1.138 327 S CA -0.388 57.819 58.200 0.011 0.000 0.875 327 S CB 1.264 64.470 63.200 0.010 0.000 1.151 327 S HN 0.812 nan 8.310 nan 0.000 0.500 328 A N 0.518 123.346 122.820 0.014 0.000 1.978 328 A HA -0.089 4.231 4.320 0.000 0.000 0.220 328 A C 2.026 179.621 177.584 0.017 0.000 1.170 328 A CA 1.376 53.423 52.037 0.016 0.000 0.636 328 A CB -0.925 18.083 19.000 0.014 0.000 0.810 328 A HN 0.738 nan 8.150 nan 0.000 0.448 329 Q N 0.066 119.875 119.800 0.015 0.000 2.437 329 Q HA -0.114 4.226 4.340 0.000 0.000 0.210 329 Q C 0.643 176.653 176.000 0.017 0.000 0.972 329 Q CA 1.160 56.972 55.803 0.015 0.000 0.903 329 Q CB -0.236 28.509 28.738 0.012 0.000 0.967 329 Q HN 0.682 nan 8.270 nan 0.000 0.486 330 D N -0.279 120.132 120.400 0.019 0.000 2.346 330 D HA 0.076 4.716 4.640 0.000 0.000 0.206 330 D C 0.490 176.807 176.300 0.029 0.000 1.001 330 D CA 0.093 54.106 54.000 0.022 0.000 0.871 330 D CB 0.648 41.461 40.800 0.021 0.000 0.943 330 D HN 0.198 nan 8.370 nan 0.000 0.518 331 L N 1.032 122.272 121.223 0.030 0.000 2.380 331 L HA 0.381 4.721 4.340 0.000 0.000 0.273 331 L C 1.154 178.047 176.870 0.038 0.000 1.138 331 L CA -0.452 54.410 54.840 0.037 0.000 0.832 331 L CB 1.213 43.292 42.059 0.034 0.000 1.124 331 L HN -0.143 nan 8.230 nan 0.000 0.454 332 G N 1.206 110.033 108.800 0.046 0.000 2.491 332 G HA2 0.457 4.417 3.960 0.000 0.000 0.327 332 G HA3 0.457 4.417 3.960 0.000 0.000 0.327 332 G C -1.188 173.739 174.900 0.045 0.000 1.189 332 G CA -0.489 44.637 45.100 0.042 0.000 0.956 332 G HN 0.533 nan 8.290 nan 0.000 0.491 333 D N -0.172 120.250 120.400 0.038 0.000 2.248 333 D HA 0.594 5.234 4.640 0.000 0.000 0.246 333 D C -0.354 175.964 176.300 0.030 0.000 1.027 333 D CA 0.028 54.048 54.000 0.033 0.000 0.853 333 D CB 2.079 42.894 40.800 0.025 0.000 1.243 333 D HN 0.553 nan 8.370 nan 0.000 0.462 334 A N 0.588 123.430 122.820 0.037 0.000 2.398 334 A HA 0.604 4.924 4.320 0.000 0.000 0.301 334 A C 0.997 178.600 177.584 0.031 0.000 1.041 334 A CA -0.485 51.573 52.037 0.036 0.000 0.711 334 A CB 1.656 20.694 19.000 0.063 0.000 1.240 334 A HN 0.515 nan 8.150 nan 0.000 0.420 335 G N 0.654 109.466 108.800 0.019 0.000 2.422 335 G HA2 0.246 4.206 3.960 0.000 0.000 0.218 335 G HA3 0.246 4.206 3.960 0.000 0.000 0.218 335 G C 0.326 175.243 174.900 0.029 0.000 1.146 335 G CA 1.690 46.799 45.100 0.016 0.000 0.769 335 G HN 1.136 nan 8.290 nan 0.000 0.547 336 L N -0.070 121.179 121.223 0.043 0.000 2.505 336 L HA 0.599 4.939 4.340 0.000 0.000 0.266 336 L C -1.313 175.608 176.870 0.085 0.000 0.954 336 L CA -0.753 54.121 54.840 0.056 0.000 0.852 336 L CB 2.504 44.594 42.059 0.053 0.000 1.282 336 L HN -0.143 nan 8.230 nan 0.000 0.403 337 V N 4.487 124.454 119.914 0.089 0.000 2.350 337 V HA 0.632 4.752 4.120 0.000 0.000 0.285 337 V C -0.411 175.740 176.094 0.095 0.000 1.014 337 V CA -0.420 61.954 62.300 0.124 0.000 0.831 337 V CB 1.320 33.227 31.823 0.140 0.000 1.000 337 V HN 0.823 nan 8.190 nan 0.000 0.433 338 E N 3.215 123.481 120.200 0.110 0.000 2.308 338 E HA 0.391 4.741 4.350 0.000 0.000 0.275 338 E C -0.964 175.643 176.600 0.012 0.000 0.890 338 E CA -0.681 55.747 56.400 0.047 0.000 0.754 338 E CB 2.168 31.882 29.700 0.024 0.000 1.207 338 E HN 0.734 nan 8.360 nan 0.000 0.426 339 E N 4.137 124.322 120.200 -0.026 0.000 2.180 339 E HA 0.216 4.566 4.350 0.000 0.000 0.283 339 E C -0.896 175.612 176.600 -0.153 0.000 1.061 339 E CA -0.151 56.212 56.400 -0.061 0.000 0.861 339 E CB 0.640 30.321 29.700 -0.032 0.000 1.056 339 E HN 0.336 nan 8.360 nan 0.000 0.407 340 R N 3.681 124.009 120.500 -0.287 0.000 2.686 340 R HA 0.396 4.736 4.340 0.000 0.000 0.283 340 R C -0.802 175.323 176.300 -0.292 0.000 0.978 340 R CA -0.916 54.954 56.100 -0.383 0.000 0.897 340 R CB 2.007 31.876 30.300 -0.718 0.000 1.192 340 R HN 0.325 nan 8.270 nan 0.000 0.457 341 K N 2.390 122.677 120.400 -0.188 0.000 2.213 341 K HA 0.414 4.734 4.320 0.000 0.000 0.270 341 K C -0.774 175.775 176.600 -0.085 0.000 1.002 341 K CA -0.554 55.670 56.287 -0.105 0.000 0.868 341 K CB 1.274 33.736 32.500 -0.064 0.000 1.093 341 K HN 0.296 nan 8.250 nan 0.000 0.454 342 I N 1.945 122.492 120.570 -0.038 0.000 2.390 342 I HA 0.086 4.256 4.170 0.000 0.000 0.283 342 I C 0.044 176.171 176.117 0.015 0.000 1.016 342 I CA -0.178 61.125 61.300 0.005 0.000 1.151 342 I CB 1.677 39.719 38.000 0.070 0.000 1.293 342 I HN 0.578 nan 8.210 nan 0.000 0.458 343 S N 4.471 120.176 115.700 0.009 0.000 3.581 343 S HA -0.193 4.277 4.470 0.000 0.000 0.354 343 S C 1.362 175.965 174.600 0.005 0.000 1.059 343 S CA 1.065 59.270 58.200 0.009 0.000 1.060 343 S CB -1.330 61.880 63.200 0.016 0.000 0.908 343 S HN 1.458 nan 8.310 nan 0.000 0.475 344 G N 0.439 109.237 108.800 -0.002 0.000 2.358 344 G HA2 -0.264 3.696 3.960 0.000 0.000 0.224 344 G HA3 -0.264 3.696 3.960 0.000 0.000 0.224 344 G C -0.365 174.532 174.900 -0.004 0.000 1.073 344 G CA 0.045 45.142 45.100 -0.005 0.000 0.635 344 G HN 0.606 nan 8.290 nan 0.000 0.509 345 D N 1.880 122.284 120.400 0.006 0.000 2.412 345 D HA 0.386 5.026 4.640 0.000 0.000 0.257 345 D C 0.475 176.780 176.300 0.008 0.000 1.217 345 D CA 0.897 54.906 54.000 0.014 0.000 0.897 345 D CB 1.406 42.223 40.800 0.028 0.000 1.132 345 D HN 0.276 nan 8.370 nan 0.000 0.493 346 S N 3.433 119.136 115.700 0.005 0.000 2.481 346 S HA 0.367 4.837 4.470 0.000 0.000 0.276 346 S C -0.141 174.476 174.600 0.028 0.000 1.247 346 S CA -0.424 57.773 58.200 -0.005 0.000 1.053 346 S CB 0.148 63.345 63.200 -0.005 0.000 0.925 346 S HN 0.315 nan 8.310 nan 0.000 0.491 347 M N 4.437 124.050 119.600 0.023 0.000 2.619 347 M HA 0.534 5.014 4.480 0.000 0.000 0.297 347 M C -1.068 175.305 176.300 0.121 0.000 1.229 347 M CA -0.652 54.723 55.300 0.125 0.000 0.860 347 M CB 2.150 34.921 32.600 0.285 0.000 1.741 347 M HN 0.441 nan 8.290 nan 0.000 0.462 348 I N 1.998 122.715 120.570 0.246 0.000 2.330 348 I HA 0.338 4.508 4.170 0.000 0.000 0.289 348 I C -1.261 175.148 176.117 0.488 0.000 1.001 348 I CA -0.458 61.010 61.300 0.279 0.000 1.193 348 I CB 0.897 39.061 38.000 0.273 0.000 1.345 348 I HN 0.391 nan 8.210 nan 0.000 0.461 349 F N 6.256 126.245 119.950 0.066 0.000 2.391 349 F HA 0.335 4.862 4.527 -0.000 0.000 0.359 349 F C 0.227 176.061 175.800 0.058 0.000 1.122 349 F CA -0.995 57.032 58.000 0.045 0.000 1.120 349 F CB 1.310 40.327 39.000 0.028 0.000 1.142 349 F HN 0.001 nan 8.300 nan 0.000 0.483 350 V N 4.915 124.926 119.914 0.163 0.000 2.311 350 V HA 0.363 4.483 4.120 0.000 0.000 0.275 350 V C -0.247 175.870 176.094 0.039 0.000 1.022 350 V CA -0.577 61.785 62.300 0.104 0.000 0.830 350 V CB 0.698 32.553 31.823 0.054 0.000 1.012 350 V HN 0.786 nan 8.190 nan 0.000 0.452 351 E N 3.318 123.553 120.200 0.058 0.000 2.433 351 E HA 0.679 5.029 4.350 0.000 0.000 0.273 351 E C -0.819 175.793 176.600 0.020 0.000 0.950 351 E CA -0.910 55.506 56.400 0.027 0.000 0.796 351 E CB 1.755 31.487 29.700 0.053 0.000 1.330 351 E HN 0.231 nan 8.360 nan 0.000 0.455 352 E N -0.945 119.255 120.200 0.001 0.000 2.596 352 E HA -0.141 4.209 4.350 0.000 0.000 0.272 352 E C -0.704 175.880 176.600 -0.026 0.000 1.039 352 E CA 0.477 56.870 56.400 -0.011 0.000 0.804 352 E CB -2.405 27.296 29.700 0.001 0.000 1.373 352 E HN 0.597 nan 8.360 nan 0.000 0.404 353 C N 0.814 120.096 119.300 -0.031 0.000 2.679 353 C HA 0.049 4.509 4.460 0.000 0.000 0.417 353 C C 2.285 177.223 174.990 -0.086 0.000 1.302 353 C CA 0.055 59.050 59.018 -0.039 0.000 1.973 353 C CB 0.357 28.079 27.740 -0.029 0.000 2.715 353 C HN 0.388 nan 8.230 nan 0.000 0.628 354 K N 0.859 121.192 120.400 -0.110 0.000 1.973 354 K HA -0.068 4.252 4.320 0.000 0.000 0.212 354 K C 0.447 176.753 176.600 -0.491 0.000 1.047 354 K CA 1.302 57.424 56.287 -0.276 0.000 0.937 354 K CB -0.057 32.328 32.500 -0.191 0.000 0.721 354 K HN 0.686 nan 8.250 nan 0.000 0.440 355 H N 0.390 119.459 119.070 -0.002 0.000 2.380 355 H HA 0.244 4.800 4.556 0.000 0.000 0.231 355 H C -2.501 172.821 175.328 -0.009 0.000 1.415 355 H CA -1.981 54.064 56.048 -0.005 0.000 1.433 355 H CB 0.653 30.413 29.762 -0.004 0.000 1.544 355 H HN 0.197 nan 8.280 nan 0.000 0.503 356 P HA 0.138 nan 4.420 nan 0.000 0.275 356 P C 0.380 177.695 177.300 0.024 0.000 1.227 356 P CA -0.529 62.583 63.100 0.021 0.000 0.781 356 P CB 1.845 33.539 31.700 -0.010 0.000 0.906 357 K N 0.618 121.024 120.400 0.010 0.000 2.373 357 K HA 0.459 4.779 4.320 0.000 0.000 0.202 357 K C 0.186 176.779 176.600 -0.012 0.000 1.025 357 K CA 0.042 56.331 56.287 0.003 0.000 1.115 357 K CB 0.530 33.031 32.500 0.001 0.000 0.858 357 K HN 0.574 nan 8.250 nan 0.000 0.525 358 A N -0.203 122.605 122.820 -0.020 0.000 2.520 358 A HA 0.715 5.036 4.320 0.000 0.000 0.298 358 A C -1.612 175.948 177.584 -0.041 0.000 1.051 358 A CA -0.689 51.328 52.037 -0.033 0.000 0.690 358 A CB 1.776 20.750 19.000 -0.043 0.000 1.281 358 A HN -0.051 nan 8.150 nan 0.000 0.402 359 V N 0.869 120.755 119.914 -0.046 0.000 3.007 359 V HA 0.852 4.972 4.120 0.000 0.000 0.311 359 V C -0.801 175.253 176.094 -0.068 0.000 1.120 359 V CA -0.153 62.114 62.300 -0.054 0.000 0.980 359 V CB 2.660 34.459 31.823 -0.041 0.000 1.033 359 V HN 1.083 nan 8.190 nan 0.000 0.429 360 T N 6.602 121.102 114.554 -0.089 0.000 2.848 360 T HA 0.498 4.848 4.350 0.000 0.000 0.285 360 T C -0.608 174.031 174.700 -0.103 0.000 0.995 360 T CA -0.264 61.772 62.100 -0.107 0.000 0.970 360 T CB 1.327 70.100 68.868 -0.159 0.000 0.976 360 T HN 0.751 nan 8.240 nan 0.000 0.441 361 M N 4.539 124.090 119.600 -0.081 0.000 2.114 361 M HA 0.571 5.051 4.480 0.000 0.000 0.332 361 M C -1.559 174.705 176.300 -0.060 0.000 1.014 361 M CA -1.133 54.130 55.300 -0.062 0.000 0.956 361 M CB 0.726 33.303 32.600 -0.040 0.000 1.551 361 M HN 0.493 nan 8.290 nan 0.000 0.427 362 L N 7.516 128.705 121.223 -0.058 0.000 2.257 362 L HA 0.561 4.901 4.340 0.000 0.000 0.290 362 L C -1.410 175.457 176.870 -0.005 0.000 1.044 362 L CA 0.025 54.845 54.840 -0.034 0.000 0.810 362 L CB 0.682 42.725 42.059 -0.027 0.000 1.193 362 L HN 0.697 nan 8.230 nan 0.000 0.425 363 I N 5.896 126.466 120.570 -0.001 0.000 2.336 363 I HA 0.495 4.665 4.170 0.000 0.000 0.292 363 I C 0.060 176.186 176.117 0.015 0.000 0.991 363 I CA -0.666 60.638 61.300 0.006 0.000 1.227 363 I CB 0.802 38.803 38.000 0.000 0.000 1.366 363 I HN 0.551 nan 8.210 nan 0.000 0.466 364 R N 3.961 124.472 120.500 0.019 0.000 2.902 364 R HA 0.912 5.252 4.340 0.000 0.000 0.258 364 R C -0.271 176.040 176.300 0.019 0.000 1.071 364 R CA -1.063 55.050 56.100 0.022 0.000 1.024 364 R CB 1.943 32.259 30.300 0.027 0.000 1.184 364 R HN 0.859 nan 8.270 nan 0.000 0.492 365 G N -1.107 107.705 108.800 0.021 0.000 2.328 365 G HA2 -0.018 3.942 3.960 0.000 0.000 0.299 365 G HA3 -0.018 3.942 3.960 0.000 0.000 0.299 365 G C -0.003 174.911 174.900 0.023 0.000 1.435 365 G CA -0.079 45.034 45.100 0.022 0.000 0.865 365 G HN 0.390 nan 8.290 nan 0.000 0.601 366 T N -0.813 113.757 114.554 0.025 0.000 2.995 366 T HA 0.305 4.655 4.350 0.000 0.000 0.269 366 T C 0.830 175.550 174.700 0.033 0.000 1.091 366 T CA 2.312 64.428 62.100 0.026 0.000 1.128 366 T CB -0.248 68.634 68.868 0.025 0.000 0.891 366 T HN 0.764 nan 8.240 nan 0.000 0.492 367 T N 0.092 114.671 114.554 0.041 0.000 2.889 367 T HA 0.305 4.655 4.350 0.000 0.000 0.315 367 T C 0.260 174.988 174.700 0.047 0.000 1.291 367 T CA -0.651 61.484 62.100 0.059 0.000 1.028 367 T CB 2.102 71.025 68.868 0.091 0.000 1.235 367 T HN -0.020 nan 8.240 nan 0.000 0.491 368 E N 0.942 121.156 120.200 0.023 0.000 2.049 368 E HA -0.219 4.131 4.350 0.000 0.000 0.198 368 E C 1.383 177.927 176.600 -0.093 0.000 1.007 368 E CA 2.220 58.580 56.400 -0.066 0.000 0.809 368 E CB -0.229 29.378 29.700 -0.154 0.000 0.749 368 E HN 0.742 nan 8.360 nan 0.000 0.450 369 H N -1.157 117.917 119.070 0.007 0.000 2.456 369 H HA -0.030 4.526 4.556 -0.000 0.000 0.296 369 H C 1.989 177.321 175.328 0.006 0.000 1.079 369 H CA 1.250 57.302 56.048 0.006 0.000 1.322 369 H CB 0.050 29.815 29.762 0.005 0.000 1.388 369 H HN 0.041 nan 8.280 nan 0.000 0.538 370 V N 1.192 121.177 119.914 0.117 0.000 2.323 370 V HA -0.197 3.923 4.120 0.000 0.000 0.244 370 V C 2.299 178.417 176.094 0.039 0.000 1.041 370 V CA 1.875 64.215 62.300 0.067 0.000 1.025 370 V CB -0.439 31.416 31.823 0.053 0.000 0.656 370 V HN 0.546 nan 8.190 nan 0.000 0.451 371 I N -1.948 118.637 120.570 0.024 0.000 2.830 371 I HA -0.068 4.102 4.170 0.000 0.000 0.263 371 I C 2.077 178.194 176.117 0.001 0.000 1.230 371 I CA 1.403 62.709 61.300 0.010 0.000 1.480 371 I CB -0.524 37.478 38.000 0.003 0.000 1.095 371 I HN 0.294 nan 8.210 nan 0.000 0.455 372 E N 1.482 121.680 120.200 -0.004 0.000 2.076 372 E HA -0.201 4.149 4.350 0.000 0.000 0.190 372 E C 2.044 178.650 176.600 0.010 0.000 0.979 372 E CA 1.058 57.452 56.400 -0.011 0.000 0.807 372 E CB -0.009 29.669 29.700 -0.037 0.000 0.761 372 E HN 0.615 nan 8.360 nan 0.000 0.454 373 E N 0.719 120.935 120.200 0.027 0.000 2.106 373 E HA -0.159 4.191 4.350 0.000 0.000 0.192 373 E C 2.060 178.672 176.600 0.020 0.000 0.984 373 E CA 0.902 57.319 56.400 0.029 0.000 0.806 373 E CB 0.238 29.961 29.700 0.039 0.000 0.750 373 E HN 0.022 nan 8.360 nan 0.000 0.458 374 V N 1.233 121.158 119.914 0.018 0.000 2.343 374 V HA -0.250 3.870 4.120 0.000 0.000 0.247 374 V C 2.464 178.562 176.094 0.007 0.000 1.051 374 V CA 1.737 64.044 62.300 0.013 0.000 1.036 374 V CB -0.732 31.098 31.823 0.012 0.000 0.654 374 V HN 0.437 nan 8.190 nan 0.000 0.451 375 A N -0.280 122.542 122.820 0.003 0.000 1.933 375 A HA -0.199 4.121 4.320 0.000 0.000 0.218 375 A C 2.358 179.942 177.584 -0.001 0.000 1.175 375 A CA 1.477 53.512 52.037 -0.002 0.000 0.628 375 A CB -0.416 18.580 19.000 -0.007 0.000 0.814 375 A HN 0.384 nan 8.150 nan 0.000 0.444 376 R N -0.544 119.958 120.500 0.004 0.000 2.090 376 R HA 0.040 4.380 4.340 0.000 0.000 0.228 376 R C 2.422 178.726 176.300 0.006 0.000 1.110 376 R CA 1.279 57.382 56.100 0.005 0.000 0.973 376 R CB -1.086 29.219 30.300 0.009 0.000 0.869 376 R HN 0.525 nan 8.270 nan 0.000 0.440 377 A N 0.974 123.800 122.820 0.009 0.000 1.902 377 A HA -0.128 4.192 4.320 0.000 0.000 0.217 377 A C 2.271 179.859 177.584 0.007 0.000 1.181 377 A CA 1.933 53.977 52.037 0.011 0.000 0.623 377 A CB -0.611 18.398 19.000 0.014 0.000 0.818 377 A HN 0.211 nan 8.150 nan 0.000 0.443 378 V N -2.402 117.514 119.914 0.003 0.000 2.719 378 V HA -0.112 4.008 4.120 0.000 0.000 0.252 378 V C 1.926 178.018 176.094 -0.003 0.000 1.065 378 V CA 2.047 64.346 62.300 -0.000 0.000 1.086 378 V CB -0.629 31.192 31.823 -0.003 0.000 0.700 378 V HN 0.543 nan 8.190 nan 0.000 0.467 379 D N 1.078 121.476 120.400 -0.003 0.000 2.097 379 D HA -0.241 4.399 4.640 0.000 0.000 0.195 379 D C 1.681 177.980 176.300 -0.002 0.000 0.989 379 D CA 2.056 56.054 54.000 -0.004 0.000 0.827 379 D CB -0.059 40.739 40.800 -0.003 0.000 0.966 379 D HN 0.509 nan 8.370 nan 0.000 0.456 380 D N 0.337 120.737 120.400 0.001 0.000 2.144 380 D HA -0.067 4.573 4.640 0.000 0.000 0.200 380 D C 2.010 178.312 176.300 0.002 0.000 0.978 380 D CA 1.131 55.132 54.000 0.003 0.000 0.833 380 D CB -0.439 40.364 40.800 0.005 0.000 0.961 380 D HN 0.266 nan 8.370 nan 0.000 0.470 381 A N 0.663 123.484 122.820 0.002 0.000 1.908 381 A HA -0.152 4.168 4.320 0.000 0.000 0.218 381 A C 2.507 180.090 177.584 -0.001 0.000 1.181 381 A CA 1.290 53.328 52.037 0.001 0.000 0.627 381 A CB -0.784 18.216 19.000 0.001 0.000 0.818 381 A HN 0.151 nan 8.150 nan 0.000 0.445 382 V N -0.111 119.801 119.914 -0.003 0.000 2.427 382 V HA -0.165 3.955 4.120 0.000 0.000 0.248 382 V C 2.802 178.894 176.094 -0.004 0.000 1.051 382 V CA 1.858 64.155 62.300 -0.005 0.000 1.048 382 V CB -1.413 30.405 31.823 -0.008 0.000 0.666 382 V HN 0.626 nan 8.190 nan 0.000 0.456 383 G N 0.584 109.383 108.800 -0.003 0.000 2.446 383 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 383 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 383 G C 1.701 176.600 174.900 -0.001 0.000 1.168 383 G CA 1.631 46.730 45.100 -0.002 0.000 0.771 383 G HN 0.601 nan 8.290 nan 0.000 0.551 384 V N -1.537 118.377 119.914 0.000 0.000 2.719 384 V HA 0.029 4.149 4.120 0.000 0.000 0.252 384 V C 2.612 178.706 176.094 0.000 0.000 1.065 384 V CA 1.212 63.513 62.300 0.001 0.000 1.086 384 V CB -0.301 31.524 31.823 0.003 0.000 0.700 384 V HN 0.130 nan 8.190 nan 0.000 0.467 385 V N 2.091 122.004 119.914 -0.001 0.000 2.358 385 V HA -0.031 4.089 4.120 0.000 0.000 0.246 385 V C 2.918 179.010 176.094 -0.003 0.000 1.047 385 V CA 2.246 64.545 62.300 -0.002 0.000 1.035 385 V CB -1.332 30.489 31.823 -0.004 0.000 0.658 385 V HN 0.613 nan 8.190 nan 0.000 0.452 386 G N -1.264 107.534 108.800 -0.003 0.000 2.422 386 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 386 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 386 G C 1.707 176.606 174.900 -0.002 0.000 1.146 386 G CA 1.293 46.391 45.100 -0.003 0.000 0.769 386 G HN 0.536 nan 8.290 nan 0.000 0.547 387 C N 0.248 119.547 119.300 -0.001 0.000 2.440 387 C HA 0.024 4.484 4.460 0.000 0.000 0.278 387 C C 3.147 178.137 174.990 -0.000 0.000 1.295 387 C CA 1.482 60.500 59.018 -0.000 0.000 1.738 387 C CB -0.809 26.932 27.740 0.001 0.000 1.987 387 C HN 0.405 nan 8.230 nan 0.000 0.492 388 T N 0.708 115.262 114.554 -0.001 0.000 3.043 388 T HA 0.113 4.463 4.350 0.000 0.000 0.263 388 T C 1.567 176.266 174.700 -0.001 0.000 1.094 388 T CA 0.737 62.837 62.100 -0.001 0.000 1.127 388 T CB -0.122 68.746 68.868 -0.001 0.000 0.905 388 T HN 0.468 nan 8.240 nan 0.000 0.490 389 I N 0.762 121.331 120.570 -0.002 0.000 2.333 389 I HA -0.048 4.122 4.170 0.000 0.000 0.246 389 I C 2.454 178.570 176.117 -0.002 0.000 1.106 389 I CA 1.210 62.509 61.300 -0.002 0.000 1.411 389 I CB -0.116 37.882 38.000 -0.003 0.000 1.082 389 I HN 0.254 nan 8.210 nan 0.000 0.420 390 E N 0.064 120.262 120.200 -0.002 0.000 2.122 390 E HA -0.056 4.294 4.350 0.000 0.000 0.190 390 E C -0.073 176.526 176.600 -0.001 0.000 0.977 390 E CA 0.660 57.058 56.400 -0.002 0.000 0.820 390 E CB 0.268 29.967 29.700 -0.002 0.000 0.770 390 E HN 0.347 nan 8.360 nan 0.000 0.462 391 D N 0.164 120.563 120.400 -0.001 0.000 2.446 391 D HA 0.128 4.768 4.640 0.000 0.000 0.251 391 D C -0.086 176.213 176.300 -0.000 0.000 1.137 391 D CA -0.099 53.901 54.000 -0.001 0.000 0.890 391 D CB 1.437 42.237 40.800 0.000 0.000 1.071 391 D HN 0.092 nan 8.370 nan 0.000 0.528 392 G N 2.258 111.057 108.800 -0.001 0.000 3.340 392 G HA2 -0.051 3.909 3.960 0.000 0.000 0.240 392 G HA3 -0.051 3.909 3.960 0.000 0.000 0.240 392 G C 0.614 175.514 174.900 -0.000 0.000 1.327 392 G CA -0.146 44.953 45.100 -0.001 0.000 1.170 392 G HN 0.080 nan 8.290 nan 0.000 0.520 393 R N 0.353 120.853 120.500 0.000 0.000 2.494 393 R HA 0.569 4.909 4.340 0.000 0.000 0.305 393 R C -0.100 176.201 176.300 0.002 0.000 0.959 393 R CA -0.643 55.458 56.100 0.001 0.000 0.864 393 R CB 1.754 32.055 30.300 0.001 0.000 1.159 393 R HN 0.388 nan 8.270 nan 0.000 0.446 394 I N -1.267 119.305 120.570 0.003 0.000 3.002 394 I HA 0.809 4.979 4.170 0.000 0.000 0.310 394 I C -0.184 175.937 176.117 0.007 0.000 1.087 394 I CA -1.301 60.002 61.300 0.005 0.000 1.017 394 I CB 2.445 40.448 38.000 0.004 0.000 1.226 394 I HN 0.301 nan 8.210 nan 0.000 0.443 395 V N -0.300 119.620 119.914 0.010 0.000 3.078 395 V HA 0.673 4.793 4.120 0.000 0.000 0.311 395 V C 0.093 176.198 176.094 0.018 0.000 1.138 395 V CA -0.582 61.727 62.300 0.015 0.000 1.007 395 V CB 1.177 33.011 31.823 0.017 0.000 1.045 395 V HN 1.026 nan 8.190 nan 0.000 0.432 396 S N 1.507 117.222 115.700 0.024 0.000 2.562 396 S HA 0.647 5.117 4.470 0.000 0.000 0.281 396 S C 0.559 175.179 174.600 0.034 0.000 1.333 396 S CA 0.170 58.388 58.200 0.029 0.000 1.052 396 S CB 0.845 64.066 63.200 0.035 0.000 0.884 396 S HN 1.792 nan 8.310 nan 0.000 0.506 397 G N 0.369 109.190 108.800 0.035 0.000 2.630 397 G HA2 0.543 4.503 3.960 0.000 0.000 0.223 397 G HA3 0.543 4.503 3.960 0.000 0.000 0.223 397 G C 0.913 175.839 174.900 0.043 0.000 1.434 397 G CA -0.551 44.572 45.100 0.037 0.000 1.057 397 G HN 2.030 nan 8.290 nan 0.000 0.570 398 G N -1.995 106.832 108.800 0.045 0.000 2.179 398 G HA2 0.236 4.196 3.960 0.000 0.000 0.257 398 G HA3 0.236 4.196 3.960 0.000 0.000 0.257 398 G C 1.467 176.382 174.900 0.025 0.000 1.010 398 G CA 1.177 46.303 45.100 0.044 0.000 0.736 398 G HN 2.472 nan 8.290 nan 0.000 0.513 399 G N -1.359 107.449 108.800 0.012 0.000 2.162 399 G HA2 -0.123 3.837 3.960 0.000 0.000 0.260 399 G HA3 -0.123 3.837 3.960 0.000 0.000 0.260 399 G C 1.467 176.358 174.900 -0.015 0.000 0.976 399 G CA 1.687 46.781 45.100 -0.011 0.000 0.655 399 G HN 1.952 nan 8.290 nan 0.000 0.533 400 S N 0.034 115.752 115.700 0.029 0.000 2.370 400 S HA -0.164 4.306 4.470 0.000 0.000 0.226 400 S C 2.796 177.428 174.600 0.053 0.000 1.033 400 S CA 2.765 61.015 58.200 0.083 0.000 1.011 400 S CB -0.554 62.731 63.200 0.142 0.000 0.852 400 S HN 1.321 nan 8.310 nan 0.000 0.457 401 T N 0.108 114.682 114.554 0.033 0.000 2.595 401 T HA -0.091 4.259 4.350 0.000 0.000 0.264 401 T C 1.605 176.293 174.700 -0.021 0.000 1.058 401 T CA 1.598 63.711 62.100 0.022 0.000 1.166 401 T CB -1.022 67.855 68.868 0.014 0.000 0.863 401 T HN 0.349 nan 8.240 nan 0.000 0.415 402 E N 0.898 121.073 120.200 -0.042 0.000 2.171 402 E HA -0.069 4.281 4.350 0.000 0.000 0.197 402 E C 2.275 178.811 176.600 -0.107 0.000 0.997 402 E CA 0.849 57.208 56.400 -0.068 0.000 0.810 402 E CB -0.827 28.827 29.700 -0.076 0.000 0.738 402 E HN 0.437 nan 8.360 nan 0.000 0.467 403 V N 0.407 120.218 119.914 -0.172 0.000 2.379 403 V HA -0.216 3.904 4.120 0.000 0.000 0.245 403 V C 2.279 178.148 176.094 -0.375 0.000 1.044 403 V CA 1.839 63.951 62.300 -0.314 0.000 1.036 403 V CB -0.427 31.102 31.823 -0.491 0.000 0.664 403 V HN 0.223 nan 8.190 nan 0.000 0.453 404 E N 0.428 120.438 120.200 -0.315 0.000 2.085 404 E HA -0.225 4.125 4.350 0.000 0.000 0.194 404 E C 1.878 178.487 176.600 0.016 0.000 0.994 404 E CA 1.473 57.876 56.400 0.005 0.000 0.801 404 E CB -0.337 29.474 29.700 0.186 0.000 0.743 404 E HN 0.364 nan 8.360 nan 0.000 0.453 405 L N 0.581 121.799 121.223 -0.008 0.000 2.056 405 L HA -0.108 4.232 4.340 0.000 0.000 0.207 405 L C 2.555 179.444 176.870 0.032 0.000 1.078 405 L CA 2.020 56.872 54.840 0.021 0.000 0.749 405 L CB -1.154 40.922 42.059 0.030 0.000 0.901 405 L HN 0.311 nan 8.230 nan 0.000 0.433 406 S N -1.907 113.789 115.700 -0.007 0.000 2.423 406 S HA -0.165 4.305 4.470 0.000 0.000 0.231 406 S C 1.954 176.566 174.600 0.021 0.000 1.014 406 S CA 0.839 59.042 58.200 0.005 0.000 0.965 406 S CB -0.309 62.867 63.200 -0.040 0.000 0.785 406 S HN 0.253 nan 8.310 nan 0.000 0.495 407 M N 1.538 121.142 119.600 0.007 0.000 2.064 407 M HA 0.065 4.545 4.480 0.000 0.000 0.260 407 M C 2.180 178.518 176.300 0.065 0.000 1.073 407 M CA 1.410 56.734 55.300 0.039 0.000 1.124 407 M CB -0.935 31.703 32.600 0.062 0.000 1.326 407 M HN 0.257 nan 8.290 nan 0.000 0.410 408 K N 0.615 121.056 120.400 0.067 0.000 2.155 408 K HA 0.065 4.385 4.320 0.000 0.000 0.203 408 K C 2.023 178.688 176.600 0.108 0.000 1.052 408 K CA 0.870 57.202 56.287 0.075 0.000 0.948 408 K CB -0.482 32.048 32.500 0.050 0.000 0.728 408 K HN 0.389 nan 8.250 nan 0.000 0.448 409 L N 0.149 121.439 121.223 0.110 0.000 2.313 409 L HA -0.030 4.310 4.340 0.000 0.000 0.214 409 L C 2.384 179.376 176.870 0.203 0.000 1.119 409 L CA 0.645 55.593 54.840 0.180 0.000 0.809 409 L CB -0.184 41.981 42.059 0.177 0.000 0.933 409 L HN 0.097 nan 8.230 nan 0.000 0.449 410 R N 0.106 120.686 120.500 0.134 0.000 2.090 410 R HA -0.124 4.216 4.340 0.000 0.000 0.228 410 R C 2.052 178.407 176.300 0.092 0.000 1.110 410 R CA 1.166 57.327 56.100 0.102 0.000 0.973 410 R CB -0.076 30.266 30.300 0.070 0.000 0.869 410 R HN 0.421 nan 8.270 nan 0.000 0.440 411 E N -0.467 119.795 120.200 0.103 0.000 2.107 411 E HA -0.194 4.156 4.350 0.000 0.000 0.191 411 E C 1.548 178.214 176.600 0.110 0.000 0.982 411 E CA 0.798 57.252 56.400 0.089 0.000 0.809 411 E CB -0.087 29.664 29.700 0.085 0.000 0.756 411 E HN 0.298 nan 8.360 nan 0.000 0.459 412 Y N 1.584 121.898 120.300 0.023 0.000 2.224 412 Y HA -0.227 4.323 4.550 -0.000 0.000 0.289 412 Y C 2.181 178.091 175.900 0.017 0.000 1.146 412 Y CA 1.289 59.399 58.100 0.017 0.000 1.182 412 Y CB -0.424 38.044 38.460 0.014 0.000 0.983 412 Y HN -0.011 nan 8.280 nan 0.000 0.524 413 A N 0.379 123.192 122.820 -0.012 0.000 1.883 413 A HA -0.187 4.133 4.320 0.000 0.000 0.217 413 A C 2.131 179.657 177.584 -0.096 0.000 1.186 413 A CA 1.911 53.905 52.037 -0.073 0.000 0.624 413 A CB -0.635 18.388 19.000 0.039 0.000 0.822 413 A HN 0.517 nan 8.150 nan 0.000 0.444 414 E N -0.469 119.705 120.200 -0.044 0.000 2.110 414 E HA -0.139 4.211 4.350 0.000 0.000 0.193 414 E C 2.163 178.724 176.600 -0.066 0.000 0.988 414 E CA 1.154 57.532 56.400 -0.037 0.000 0.804 414 E CB -0.692 29.005 29.700 -0.006 0.000 0.745 414 E HN 0.599 nan 8.360 nan 0.000 0.458 415 G N 1.476 110.219 108.800 -0.094 0.000 2.402 415 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 415 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 415 G C 1.607 176.412 174.900 -0.157 0.000 1.162 415 G CA 0.339 45.375 45.100 -0.106 0.000 0.777 415 G HN 0.116 nan 8.290 nan 0.000 0.539 416 I N 0.339 120.751 120.570 -0.263 0.000 2.202 416 I HA -0.011 4.160 4.170 0.000 0.000 0.242 416 I C 1.706 177.742 176.117 -0.135 0.000 1.091 416 I CA 1.136 62.286 61.300 -0.249 0.000 1.368 416 I CB -1.168 36.620 38.000 -0.354 0.000 1.058 416 I HN 0.324 nan 8.210 nan 0.000 0.410 417 S N -1.228 114.406 115.700 -0.110 0.000 3.513 417 S HA -0.104 4.366 4.470 0.000 0.000 0.636 417 S C 0.714 175.281 174.600 -0.055 0.000 2.452 417 S CA 1.397 59.558 58.200 -0.065 0.000 2.644 417 S CB -1.362 61.807 63.200 -0.051 0.000 0.331 417 S HN 1.474 nan 8.310 nan 0.000 1.787 418 G N 0.746 109.523 108.800 -0.037 0.000 2.575 418 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 418 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 418 G C 0.089 174.976 174.900 -0.023 0.000 1.264 418 G CA 1.098 46.181 45.100 -0.029 0.000 0.935 418 G HN 1.197 nan 8.290 nan 0.000 0.568 419 R N 0.564 121.052 120.500 -0.019 0.000 2.240 419 R HA 0.249 4.589 4.340 0.000 0.000 0.203 419 R C 2.411 178.703 176.300 -0.013 0.000 1.011 419 R CA 1.554 57.647 56.100 -0.012 0.000 1.007 419 R CB -0.312 29.983 30.300 -0.008 0.000 0.911 419 R HN 0.620 nan 8.270 nan 0.000 0.468 420 E N 0.399 120.584 120.200 -0.024 0.000 2.153 420 E HA -0.182 4.168 4.350 0.000 0.000 0.194 420 E C 1.704 178.293 176.600 -0.017 0.000 0.988 420 E CA 0.841 57.226 56.400 -0.025 0.000 0.811 420 E CB -0.089 29.585 29.700 -0.043 0.000 0.746 420 E HN 0.191 nan 8.360 nan 0.000 0.466 421 Q N 0.574 120.357 119.800 -0.029 0.000 2.170 421 Q HA -0.144 4.196 4.340 0.000 0.000 0.203 421 Q C 1.988 178.003 176.000 0.024 0.000 0.976 421 Q CA 1.092 56.883 55.803 -0.019 0.000 0.858 421 Q CB -0.061 28.659 28.738 -0.030 0.000 0.907 421 Q HN 0.385 nan 8.270 nan 0.000 0.433 422 L N 0.039 121.276 121.223 0.024 0.000 2.056 422 L HA -0.124 4.217 4.340 0.000 0.000 0.207 422 L C 2.627 179.546 176.870 0.083 0.000 1.078 422 L CA 1.145 56.011 54.840 0.043 0.000 0.749 422 L CB -0.682 41.392 42.059 0.025 0.000 0.901 422 L HN 0.155 nan 8.230 nan 0.000 0.433 423 A N -0.388 122.476 122.820 0.073 0.000 1.898 423 A HA -0.105 4.215 4.320 0.000 0.000 0.216 423 A C 2.316 180.079 177.584 0.298 0.000 1.181 423 A CA 1.448 53.558 52.037 0.122 0.000 0.620 423 A CB -0.708 18.279 19.000 -0.022 0.000 0.819 423 A HN 0.179 nan 8.150 nan 0.000 0.442 424 V N 0.022 120.057 119.914 0.202 0.000 2.427 424 V HA -0.202 3.918 4.120 0.000 0.000 0.248 424 V C 2.651 178.895 176.094 0.249 0.000 1.051 424 V CA 2.245 64.684 62.300 0.233 0.000 1.048 424 V CB -0.786 31.123 31.823 0.144 0.000 0.666 424 V HN 0.615 nan 8.190 nan 0.000 0.456 425 R N 1.175 121.779 120.500 0.173 0.000 2.081 425 R HA -0.079 4.261 4.340 0.000 0.000 0.235 425 R C 2.146 178.537 176.300 0.151 0.000 1.131 425 R CA 1.894 58.077 56.100 0.138 0.000 0.960 425 R CB -0.930 29.422 30.300 0.088 0.000 0.856 425 R HN 0.439 nan 8.270 nan 0.000 0.436 426 A N -0.470 122.465 122.820 0.192 0.000 1.902 426 A HA -0.126 4.195 4.320 0.000 0.000 0.217 426 A C 2.177 179.859 177.584 0.163 0.000 1.181 426 A CA 1.364 53.515 52.037 0.190 0.000 0.623 426 A CB -0.850 18.309 19.000 0.264 0.000 0.818 426 A HN 0.485 nan 8.150 nan 0.000 0.443 427 F N 0.932 120.931 119.950 0.081 0.000 2.075 427 F HA -0.091 4.436 4.527 0.000 0.000 0.297 427 F C 2.558 178.310 175.800 -0.080 0.000 1.113 427 F CA 1.494 59.414 58.000 -0.135 0.000 1.218 427 F CB -0.345 38.594 39.000 -0.102 0.000 0.984 427 F HN 0.250 nan 8.300 nan 0.000 0.472 428 A N -0.142 122.818 122.820 0.233 0.000 1.940 428 A HA -0.212 4.108 4.320 0.000 0.000 0.219 428 A C 1.878 179.453 177.584 -0.014 0.000 1.176 428 A CA 2.109 54.222 52.037 0.126 0.000 0.631 428 A CB -0.952 18.143 19.000 0.158 0.000 0.814 428 A HN 0.472 nan 8.150 nan 0.000 0.446 429 D N -0.198 120.196 120.400 -0.010 0.000 2.183 429 D HA 0.068 4.708 4.640 0.000 0.000 0.203 429 D C 2.170 178.414 176.300 -0.093 0.000 0.969 429 D CA 1.221 55.199 54.000 -0.036 0.000 0.842 429 D CB -0.390 40.407 40.800 -0.004 0.000 0.957 429 D HN 0.414 nan 8.370 nan 0.000 0.484 430 A N 0.733 123.459 122.820 -0.156 0.000 1.972 430 A HA -0.119 4.201 4.320 0.000 0.000 0.219 430 A C 2.241 179.682 177.584 -0.239 0.000 1.169 430 A CA 0.794 52.701 52.037 -0.216 0.000 0.635 430 A CB -0.730 18.070 19.000 -0.333 0.000 0.810 430 A HN 0.235 nan 8.150 nan 0.000 0.446 431 L N -0.418 120.644 121.223 -0.269 0.000 2.265 431 L HA -0.122 4.218 4.340 0.000 0.000 0.215 431 L C 1.963 178.748 176.870 -0.142 0.000 1.117 431 L CA 0.737 55.443 54.840 -0.223 0.000 0.782 431 L CB -0.468 41.469 42.059 -0.203 0.000 0.914 431 L HN 0.316 nan 8.230 nan 0.000 0.441 432 E N -0.228 119.902 120.200 -0.117 0.000 2.478 432 E HA -0.115 4.235 4.350 0.000 0.000 0.198 432 E C 2.180 178.733 176.600 -0.079 0.000 1.046 432 E CA 0.516 56.864 56.400 -0.088 0.000 0.870 432 E CB -0.078 29.580 29.700 -0.070 0.000 0.818 432 E HN 0.294 nan 8.360 nan 0.000 0.527 433 V N 0.979 120.840 119.914 -0.090 0.000 2.594 433 V HA -0.204 3.916 4.120 0.000 0.000 0.253 433 V C 1.819 177.872 176.094 -0.068 0.000 1.069 433 V CA 0.958 63.212 62.300 -0.076 0.000 1.082 433 V CB -0.190 31.582 31.823 -0.084 0.000 0.680 433 V HN 0.132 nan 8.190 nan 0.000 0.469 434 I N 0.549 121.075 120.570 -0.073 0.000 2.235 434 I HA -0.017 4.153 4.170 0.000 0.000 0.241 434 I C 0.197 176.283 176.117 -0.052 0.000 1.085 434 I CA 1.367 62.630 61.300 -0.062 0.000 1.378 434 I CB -2.823 35.139 38.000 -0.064 0.000 1.076 434 I HN 0.319 nan 8.210 nan 0.000 0.415 435 P HA -0.170 nan 4.420 nan 0.000 0.216 435 P C 1.850 179.124 177.300 -0.042 0.000 1.150 435 P CA 1.573 64.646 63.100 -0.045 0.000 0.843 435 P CB -0.163 31.508 31.700 -0.050 0.000 0.787 436 R N -0.226 120.246 120.500 -0.046 0.000 2.073 436 R HA -0.108 4.232 4.340 0.000 0.000 0.234 436 R C 1.954 178.229 176.300 -0.041 0.000 1.134 436 R CA 2.337 58.412 56.100 -0.042 0.000 0.952 436 R CB -0.850 29.424 30.300 -0.043 0.000 0.850 436 R HN 0.242 nan 8.270 nan 0.000 0.433 437 T N -0.944 113.584 114.554 -0.044 0.000 3.043 437 T HA -0.055 4.295 4.350 0.000 0.000 0.263 437 T C 1.779 176.451 174.700 -0.046 0.000 1.094 437 T CA 0.546 62.620 62.100 -0.044 0.000 1.127 437 T CB -0.097 68.744 68.868 -0.044 0.000 0.905 437 T HN 0.174 nan 8.240 nan 0.000 0.490 438 L N 1.875 123.070 121.223 -0.047 0.000 2.027 438 L HA 0.277 4.617 4.340 0.000 0.000 0.206 438 L C 2.771 179.607 176.870 -0.056 0.000 1.074 438 L CA 1.891 56.699 54.840 -0.052 0.000 0.745 438 L CB -1.168 40.864 42.059 -0.046 0.000 0.898 438 L HN 0.314 nan 8.230 nan 0.000 0.433 439 A N -1.096 121.696 122.820 -0.046 0.000 1.929 439 A HA -0.190 4.130 4.320 0.000 0.000 0.216 439 A C 2.297 179.856 177.584 -0.043 0.000 1.176 439 A CA 1.372 53.383 52.037 -0.044 0.000 0.628 439 A CB -0.669 18.311 19.000 -0.033 0.000 0.816 439 A HN 0.595 nan 8.150 nan 0.000 0.444 440 E N 0.159 120.336 120.200 -0.040 0.000 2.038 440 E HA -0.250 4.100 4.350 0.000 0.000 0.195 440 E C 1.584 178.160 176.600 -0.040 0.000 1.000 440 E CA 1.550 57.928 56.400 -0.036 0.000 0.803 440 E CB -0.153 29.526 29.700 -0.034 0.000 0.750 440 E HN 0.537 nan 8.360 nan 0.000 0.448 441 N N 0.206 118.878 118.700 -0.046 0.000 2.309 441 N HA -0.092 4.648 4.740 0.000 0.000 0.182 441 N C 1.413 176.887 175.510 -0.060 0.000 1.018 441 N CA 1.107 54.127 53.050 -0.050 0.000 0.876 441 N CB -0.295 38.161 38.487 -0.053 0.000 0.972 441 N HN 0.234 nan 8.380 nan 0.000 0.434 442 A N 0.029 122.808 122.820 -0.069 0.000 2.119 442 A HA 0.266 4.586 4.320 0.000 0.000 0.217 442 A C 1.532 179.080 177.584 -0.061 0.000 1.153 442 A CA 1.150 53.137 52.037 -0.082 0.000 0.692 442 A CB -0.512 18.432 19.000 -0.094 0.000 0.799 442 A HN 0.335 nan 8.150 nan 0.000 0.458 443 G N -1.599 107.173 108.800 -0.047 0.000 2.137 443 G HA2 -0.195 3.765 3.960 0.000 0.000 0.237 443 G HA3 -0.195 3.765 3.960 0.000 0.000 0.237 443 G C -0.021 174.861 174.900 -0.030 0.000 1.002 443 G CA 0.351 45.430 45.100 -0.036 0.000 0.702 443 G HN 0.459 nan 8.290 nan 0.000 0.515 444 L N 0.073 121.277 121.223 -0.032 0.000 2.352 444 L HA 0.478 4.818 4.340 0.000 0.000 0.269 444 L C 0.476 177.333 176.870 -0.022 0.000 1.034 444 L CA -1.109 53.715 54.840 -0.026 0.000 0.806 444 L CB 0.964 43.006 42.059 -0.028 0.000 1.244 444 L HN 0.090 nan 8.230 nan 0.000 0.447 445 D N 1.111 121.501 120.400 -0.017 0.000 2.363 445 D HA 0.060 4.700 4.640 0.000 0.000 0.263 445 D C 0.785 177.075 176.300 -0.016 0.000 1.258 445 D CA 0.222 54.213 54.000 -0.015 0.000 0.907 445 D CB 1.715 42.509 40.800 -0.011 0.000 1.107 445 D HN 0.649 nan 8.370 nan 0.000 0.495 446 A N 5.419 128.228 122.820 -0.019 0.000 1.917 446 A HA -0.205 4.115 4.320 0.000 0.000 0.219 446 A C 2.107 179.680 177.584 -0.018 0.000 1.182 446 A CA 0.971 52.996 52.037 -0.021 0.000 0.633 446 A CB -0.209 18.777 19.000 -0.022 0.000 0.819 446 A HN 0.704 nan 8.150 nan 0.000 0.448 447 I N -0.329 120.232 120.570 -0.014 0.000 2.193 447 I HA -0.105 4.065 4.170 0.000 0.000 0.240 447 I C 2.378 178.490 176.117 -0.009 0.000 1.084 447 I CA 1.135 62.428 61.300 -0.011 0.000 1.365 447 I CB -1.614 36.381 38.000 -0.009 0.000 1.064 447 I HN 0.310 nan 8.210 nan 0.000 0.410 448 E N 0.717 120.912 120.200 -0.007 0.000 2.110 448 E HA -0.145 4.205 4.350 0.000 0.000 0.193 448 E C 2.303 178.902 176.600 -0.003 0.000 0.988 448 E CA 0.916 57.314 56.400 -0.004 0.000 0.804 448 E CB -0.085 29.613 29.700 -0.003 0.000 0.745 448 E HN 0.347 nan 8.360 nan 0.000 0.458 449 I N 0.605 121.172 120.570 -0.006 0.000 2.163 449 I HA -0.225 3.945 4.170 0.000 0.000 0.240 449 I C 2.326 178.440 176.117 -0.005 0.000 1.081 449 I CA 0.779 62.076 61.300 -0.005 0.000 1.353 449 I CB -0.956 37.038 38.000 -0.011 0.000 1.054 449 I HN 0.119 nan 8.210 nan 0.000 0.407 450 L N 0.109 121.326 121.223 -0.010 0.000 2.083 450 L HA -0.151 4.189 4.340 0.000 0.000 0.209 450 L C 2.548 179.414 176.870 -0.007 0.000 1.083 450 L CA 1.313 56.145 54.840 -0.014 0.000 0.752 450 L CB -0.982 41.065 42.059 -0.020 0.000 0.899 450 L HN 0.001 nan 8.230 nan 0.000 0.433 451 V N -1.228 118.684 119.914 -0.003 0.000 2.323 451 V HA -0.223 3.898 4.120 0.000 0.000 0.244 451 V C 2.504 178.604 176.094 0.010 0.000 1.041 451 V CA 1.318 63.620 62.300 0.003 0.000 1.025 451 V CB -0.381 31.444 31.823 0.003 0.000 0.656 451 V HN 0.285 nan 8.190 nan 0.000 0.451 452 K N -0.081 120.325 120.400 0.010 0.000 2.148 452 K HA -0.050 4.270 4.320 0.000 0.000 0.204 452 K C 1.887 178.503 176.600 0.026 0.000 1.050 452 K CA 0.953 57.250 56.287 0.016 0.000 0.942 452 K CB -0.529 31.978 32.500 0.013 0.000 0.724 452 K HN 0.305 nan 8.250 nan 0.000 0.446 453 V N 0.550 120.479 119.914 0.025 0.000 2.323 453 V HA -0.169 3.951 4.120 0.000 0.000 0.244 453 V C 2.139 178.271 176.094 0.063 0.000 1.041 453 V CA 1.536 63.860 62.300 0.040 0.000 1.025 453 V CB -0.305 31.532 31.823 0.023 0.000 0.656 453 V HN 0.244 nan 8.190 nan 0.000 0.451 454 R N 0.090 120.611 120.500 0.035 0.000 2.096 454 R HA -0.103 4.237 4.340 0.000 0.000 0.235 454 R C 2.418 178.764 176.300 0.077 0.000 1.127 454 R CA 1.423 57.547 56.100 0.040 0.000 0.968 454 R CB -0.546 29.755 30.300 0.001 0.000 0.861 454 R HN 0.535 nan 8.270 nan 0.000 0.440 455 A N 1.249 124.100 122.820 0.052 0.000 1.877 455 A HA -0.100 4.220 4.320 0.000 0.000 0.216 455 A C 2.364 179.979 177.584 0.053 0.000 1.186 455 A CA 1.673 53.738 52.037 0.046 0.000 0.620 455 A CB -0.586 18.431 19.000 0.029 0.000 0.822 455 A HN 0.387 nan 8.150 nan 0.000 0.443 456 A N -1.204 121.650 122.820 0.056 0.000 1.930 456 A HA -0.143 4.177 4.320 0.000 0.000 0.217 456 A C 1.991 179.607 177.584 0.053 0.000 1.175 456 A CA 2.009 54.074 52.037 0.046 0.000 0.627 456 A CB -0.832 18.194 19.000 0.044 0.000 0.815 456 A HN 0.773 nan 8.150 nan 0.000 0.443 457 H N -0.248 118.826 119.070 0.006 0.000 2.321 457 H HA 0.045 4.601 4.556 0.000 0.000 0.300 457 H C 2.206 177.539 175.328 0.008 0.000 1.087 457 H CA 1.976 58.028 56.048 0.007 0.000 1.319 457 H CB -0.135 29.631 29.762 0.006 0.000 1.379 457 H HN 0.400 nan 8.280 nan 0.000 0.501 458 A N -0.785 122.123 122.820 0.147 0.000 1.930 458 A HA -0.142 4.178 4.320 0.000 0.000 0.217 458 A C 2.529 180.124 177.584 0.019 0.000 1.175 458 A CA 1.755 53.846 52.037 0.090 0.000 0.627 458 A CB -0.907 18.148 19.000 0.091 0.000 0.815 458 A HN 0.497 nan 8.150 nan 0.000 0.443 459 S N -0.414 115.293 115.700 0.011 0.000 2.341 459 S HA -0.088 4.382 4.470 0.000 0.000 0.216 459 S C 1.857 176.442 174.600 -0.025 0.000 1.034 459 S CA 1.255 59.453 58.200 -0.002 0.000 0.964 459 S CB -0.348 62.855 63.200 0.006 0.000 0.882 459 S HN 0.609 nan 8.310 nan 0.000 0.469 460 N N 0.736 119.413 118.700 -0.039 0.000 2.368 460 N HA 0.291 5.031 4.740 0.000 0.000 0.176 460 N C 1.011 176.463 175.510 -0.097 0.000 1.021 460 N CA 1.004 54.022 53.050 -0.053 0.000 0.888 460 N CB 0.228 38.691 38.487 -0.039 0.000 0.995 460 N HN 0.599 nan 8.380 nan 0.000 0.437 461 G N 0.761 109.451 108.800 -0.183 0.000 2.373 461 G HA2 -0.204 3.756 3.960 0.000 0.000 0.634 461 G HA3 -0.204 3.756 3.960 0.000 0.000 0.634 461 G C -0.198 174.412 174.900 -0.483 0.000 1.267 461 G CA 0.008 44.929 45.100 -0.298 0.000 1.008 461 G HN 0.320 nan 8.290 nan 0.000 0.497 462 N N -0.715 117.734 118.700 -0.418 0.000 2.412 462 N HA 0.121 4.861 4.740 0.000 0.000 0.184 462 N C 1.272 176.748 175.510 -0.057 0.000 1.101 462 N CA 1.040 53.949 53.050 -0.236 0.000 0.881 462 N CB 0.327 38.807 38.487 -0.011 0.000 0.969 462 N HN 0.368 nan 8.380 nan 0.000 0.459 463 K N -0.287 120.070 120.400 -0.072 0.000 2.358 463 K HA 0.286 4.606 4.320 0.000 0.000 0.200 463 K C -0.421 176.160 176.600 -0.031 0.000 1.030 463 K CA -0.008 56.260 56.287 -0.032 0.000 1.097 463 K CB 0.310 32.794 32.500 -0.027 0.000 0.862 463 K HN 0.203 nan 8.250 nan 0.000 0.534 464 C N 1.185 120.455 119.300 -0.051 0.000 3.206 464 C HA 0.724 5.184 4.460 0.000 0.000 0.206 464 C C 0.501 175.477 174.990 -0.024 0.000 1.836 464 C CA -0.714 58.283 59.018 -0.035 0.000 1.382 464 C CB -0.604 27.108 27.740 -0.047 0.000 2.405 464 C HN 0.424 nan 8.230 nan 0.000 0.516 465 A N 0.058 122.882 122.820 0.007 0.000 3.963 465 A HA 0.966 5.286 4.320 0.000 0.000 0.283 465 A C 0.048 177.675 177.584 0.071 0.000 1.085 465 A CA 0.332 52.400 52.037 0.053 0.000 0.591 465 A CB -0.171 18.887 19.000 0.095 0.000 1.632 465 A HN 2.013 nan 8.150 nan 0.000 0.761 466 G N -2.004 106.856 108.800 0.100 0.000 2.787 466 G HA2 0.359 4.319 3.960 0.000 0.000 0.685 466 G HA3 0.359 4.319 3.960 0.000 0.000 0.685 466 G C -0.699 174.233 174.900 0.054 0.000 1.437 466 G CA -0.016 45.128 45.100 0.073 0.000 0.872 466 G HN 2.092 nan 8.290 nan 0.000 0.566 467 L N 1.032 122.280 121.223 0.042 0.000 2.276 467 L HA 0.600 4.940 4.340 0.000 0.000 0.286 467 L C 0.592 177.495 176.870 0.054 0.000 1.061 467 L CA -0.667 54.194 54.840 0.034 0.000 0.807 467 L CB 1.271 43.337 42.059 0.011 0.000 1.177 467 L HN 0.698 nan 8.230 nan 0.000 0.429 468 N N 4.233 122.973 118.700 0.066 0.000 2.699 468 N HA 0.109 4.849 4.740 0.000 0.000 0.232 468 N C 0.924 176.484 175.510 0.082 0.000 1.027 468 N CA -0.128 52.994 53.050 0.119 0.000 0.920 468 N CB 1.137 39.702 38.487 0.128 0.000 1.148 468 N HN 0.703 nan 8.380 nan 0.000 0.509 469 V N 1.620 121.538 119.914 0.007 0.000 2.913 469 V HA -0.075 4.045 4.120 0.000 0.000 0.260 469 V C 1.514 177.524 176.094 -0.140 0.000 1.098 469 V CA 1.013 63.248 62.300 -0.110 0.000 1.121 469 V CB -1.132 30.560 31.823 -0.220 0.000 0.714 469 V HN 0.408 nan 8.190 nan 0.000 0.487 470 F N 2.697 122.646 119.950 -0.001 0.000 2.134 470 F HA -0.097 4.430 4.527 0.000 0.000 0.299 470 F C 2.772 178.571 175.800 -0.001 0.000 1.097 470 F CA 2.154 60.153 58.000 -0.001 0.000 1.264 470 F CB -0.654 38.346 39.000 -0.001 0.000 1.001 470 F HN 0.385 nan 8.300 nan 0.000 0.479 471 T N -3.698 110.964 114.554 0.181 0.000 3.044 471 T HA 0.373 4.723 4.350 0.000 0.000 0.250 471 T C 1.496 176.227 174.700 0.051 0.000 1.081 471 T CA 0.417 62.573 62.100 0.095 0.000 1.040 471 T CB 0.181 69.095 68.868 0.077 0.000 0.962 471 T HN 0.427 nan 8.240 nan 0.000 0.506 472 G N 0.959 109.781 108.800 0.037 0.000 2.248 472 G HA2 0.248 4.208 3.960 0.000 0.000 0.263 472 G HA3 0.248 4.208 3.960 0.000 0.000 0.263 472 G C 0.054 174.961 174.900 0.012 0.000 1.082 472 G CA -0.227 44.877 45.100 0.007 0.000 0.863 472 G HN 1.396 nan 8.290 nan 0.000 0.495 473 A N -1.637 121.197 122.820 0.023 0.000 2.612 473 A HA 0.891 5.211 4.320 0.000 0.000 0.293 473 A C 0.040 177.641 177.584 0.029 0.000 1.075 473 A CA 0.121 52.171 52.037 0.022 0.000 0.680 473 A CB 1.531 20.544 19.000 0.023 0.000 1.279 473 A HN 1.805 nan 8.150 nan 0.000 0.411 474 V N 1.674 121.602 119.914 0.025 0.000 2.673 474 V HA 0.434 4.554 4.120 0.000 0.000 0.303 474 V C -0.043 176.071 176.094 0.032 0.000 1.046 474 V CA 0.954 63.272 62.300 0.030 0.000 1.126 474 V CB 0.457 32.298 31.823 0.029 0.000 0.934 474 V HN 0.918 nan 8.190 nan 0.000 0.487 475 E N 3.865 124.088 120.200 0.038 0.000 2.390 475 E HA 0.383 4.733 4.350 0.000 0.000 0.242 475 E C -1.478 175.140 176.600 0.031 0.000 0.907 475 E CA -0.668 55.752 56.400 0.033 0.000 0.884 475 E CB 0.845 30.569 29.700 0.040 0.000 1.788 475 E HN 0.720 nan 8.360 nan 0.000 0.427 476 D N 1.313 121.727 120.400 0.024 0.000 2.460 476 D HA 0.186 4.826 4.640 0.000 0.000 0.232 476 D C 0.799 177.111 176.300 0.020 0.000 1.079 476 D CA -0.279 53.731 54.000 0.017 0.000 0.864 476 D CB 0.677 41.480 40.800 0.006 0.000 1.048 476 D HN 0.186 nan 8.370 nan 0.000 0.523 477 M N 1.829 121.446 119.600 0.029 0.000 2.132 477 M HA -0.120 4.360 4.480 0.000 0.000 0.263 477 M C 2.339 178.649 176.300 0.017 0.000 1.065 477 M CA 0.697 56.016 55.300 0.031 0.000 1.122 477 M CB -1.200 31.425 32.600 0.043 0.000 1.365 477 M HN 0.554 nan 8.290 nan 0.000 0.411 478 C N 0.765 120.073 119.300 0.013 0.000 2.436 478 C HA -0.186 4.274 4.460 0.000 0.000 0.277 478 C C 2.686 177.675 174.990 -0.001 0.000 1.241 478 C CA 1.690 60.711 59.018 0.005 0.000 1.721 478 C CB -0.863 26.878 27.740 0.001 0.000 2.043 478 C HN 0.582 nan 8.230 nan 0.000 0.472 479 E N 1.068 121.267 120.200 -0.002 0.000 2.150 479 E HA -0.108 4.242 4.350 0.000 0.000 0.193 479 E C 1.658 178.253 176.600 -0.009 0.000 0.985 479 E CA 1.370 57.767 56.400 -0.006 0.000 0.814 479 E CB -0.467 29.229 29.700 -0.005 0.000 0.752 479 E HN 0.645 nan 8.360 nan 0.000 0.466 480 N N -0.228 118.468 118.700 -0.007 0.000 2.521 480 N HA 0.035 4.775 4.740 0.000 0.000 0.188 480 N C 0.661 176.155 175.510 -0.026 0.000 1.146 480 N CA 0.963 54.002 53.050 -0.017 0.000 0.893 480 N CB 0.470 38.950 38.487 -0.011 0.000 0.975 480 N HN 0.306 nan 8.380 nan 0.000 0.451 481 G N -0.134 108.655 108.800 -0.018 0.000 2.153 481 G HA2 -0.264 3.696 3.960 0.000 0.000 0.252 481 G HA3 -0.264 3.696 3.960 0.000 0.000 0.252 481 G C -0.089 174.801 174.900 -0.017 0.000 0.994 481 G CA 0.200 45.288 45.100 -0.019 0.000 0.698 481 G HN 0.202 nan 8.290 nan 0.000 0.521 482 V N 1.440 121.351 119.914 -0.006 0.000 2.267 482 V HA 0.515 4.635 4.120 0.000 0.000 0.254 482 V C 0.750 176.853 176.094 0.016 0.000 1.144 482 V CA 0.077 62.382 62.300 0.008 0.000 0.992 482 V CB 0.550 32.391 31.823 0.029 0.000 1.199 482 V HN 1.035 nan 8.190 nan 0.000 0.493 483 V N 1.795 121.716 119.914 0.011 0.000 3.007 483 V HA 0.911 5.031 4.120 0.000 0.000 0.311 483 V C -0.697 175.404 176.094 0.012 0.000 1.120 483 V CA -0.743 61.565 62.300 0.012 0.000 0.980 483 V CB 2.509 34.336 31.823 0.007 0.000 1.033 483 V HN 0.688 nan 8.190 nan 0.000 0.429 484 E N 1.720 121.928 120.200 0.012 0.000 2.393 484 E HA 0.646 4.996 4.350 0.000 0.000 0.273 484 E C -3.273 173.332 176.600 0.008 0.000 0.918 484 E CA -2.368 54.038 56.400 0.011 0.000 0.773 484 E CB 2.051 31.759 29.700 0.013 0.000 1.275 484 E HN 0.457 nan 8.360 nan 0.000 0.451 485 P HA -0.020 nan 4.420 nan 0.000 0.266 485 P C 0.804 178.107 177.300 0.005 0.000 1.195 485 P CA -0.258 62.845 63.100 0.005 0.000 0.768 485 P CB 0.452 32.154 31.700 0.003 0.000 0.838 486 L N 4.440 125.666 121.223 0.005 0.000 2.046 486 L HA -0.134 4.206 4.340 0.000 0.000 0.208 486 L C 2.401 179.274 176.870 0.005 0.000 1.077 486 L CA 1.790 56.633 54.840 0.005 0.000 0.747 486 L CB -0.848 41.214 42.059 0.004 0.000 0.896 486 L HN 0.294 nan 8.230 nan 0.000 0.432 487 R N -0.970 119.532 120.500 0.004 0.000 2.117 487 R HA -0.177 4.163 4.340 0.000 0.000 0.243 487 R C 2.025 178.327 176.300 0.004 0.000 1.143 487 R CA 1.989 58.091 56.100 0.003 0.000 0.968 487 R CB -0.399 29.903 30.300 0.003 0.000 0.863 487 R HN 0.378 nan 8.270 nan 0.000 0.444 488 V N 1.286 121.202 119.914 0.004 0.000 2.332 488 V HA -0.254 3.866 4.120 0.000 0.000 0.248 488 V C 2.285 178.380 176.094 0.002 0.000 1.055 488 V CA 1.850 64.152 62.300 0.003 0.000 1.038 488 V CB -0.347 31.478 31.823 0.003 0.000 0.651 488 V HN 0.309 nan 8.190 nan 0.000 0.450 489 K N 0.233 120.635 120.400 0.003 0.000 2.186 489 K HA -0.035 4.285 4.320 0.000 0.000 0.202 489 K C 2.262 178.866 176.600 0.007 0.000 1.052 489 K CA 1.653 57.942 56.287 0.003 0.000 0.965 489 K CB -0.674 31.828 32.500 0.005 0.000 0.746 489 K HN 0.718 nan 8.250 nan 0.000 0.457 490 T N -1.214 113.344 114.554 0.008 0.000 2.978 490 T HA -0.082 4.268 4.350 0.000 0.000 0.262 490 T C 2.016 176.723 174.700 0.012 0.000 1.063 490 T CA 0.696 62.803 62.100 0.010 0.000 1.140 490 T CB 0.038 68.910 68.868 0.007 0.000 0.886 490 T HN -0.047 nan 8.240 nan 0.000 0.470 491 Q N 1.825 121.631 119.800 0.009 0.000 2.123 491 Q HA 0.261 4.602 4.340 0.000 0.000 0.199 491 Q C 2.408 178.415 176.000 0.011 0.000 0.966 491 Q CA 1.606 57.415 55.803 0.009 0.000 0.845 491 Q CB -0.924 27.818 28.738 0.006 0.000 0.907 491 Q HN 0.623 nan 8.270 nan 0.000 0.439 492 A N 0.573 123.397 122.820 0.007 0.000 1.883 492 A HA -0.174 4.146 4.320 0.000 0.000 0.217 492 A C 1.952 179.543 177.584 0.011 0.000 1.186 492 A CA 1.588 53.627 52.037 0.002 0.000 0.624 492 A CB -0.749 18.246 19.000 -0.008 0.000 0.822 492 A HN 0.451 nan 8.150 nan 0.000 0.444 493 I N -0.135 120.451 120.570 0.025 0.000 2.179 493 I HA -0.263 3.907 4.170 0.000 0.000 0.242 493 I C 2.660 178.819 176.117 0.069 0.000 1.088 493 I CA 1.659 62.997 61.300 0.063 0.000 1.357 493 I CB -1.633 36.413 38.000 0.077 0.000 1.051 493 I HN 0.493 nan 8.210 nan 0.000 0.409 494 Q N 0.202 120.028 119.800 0.043 0.000 1.993 494 Q HA -0.165 4.176 4.340 0.000 0.000 0.202 494 Q C 2.464 178.488 176.000 0.040 0.000 0.984 494 Q CA 2.203 58.028 55.803 0.037 0.000 0.837 494 Q CB -0.168 28.584 28.738 0.023 0.000 0.902 494 Q HN 0.376 nan 8.270 nan 0.000 0.423 495 S N 0.504 116.222 115.700 0.030 0.000 2.383 495 S HA -0.131 4.340 4.470 0.000 0.000 0.227 495 S C 1.986 176.604 174.600 0.031 0.000 1.026 495 S CA 0.928 59.144 58.200 0.027 0.000 0.981 495 S CB -0.263 62.947 63.200 0.017 0.000 0.818 495 S HN 0.477 nan 8.310 nan 0.000 0.472 496 A N 1.630 124.467 122.820 0.028 0.000 1.873 496 A HA 0.155 4.475 4.320 0.000 0.000 0.215 496 A C 2.363 179.978 177.584 0.051 0.000 1.186 496 A CA 1.648 53.698 52.037 0.022 0.000 0.616 496 A CB -1.135 17.861 19.000 -0.007 0.000 0.823 496 A HN 0.505 nan 8.150 nan 0.000 0.442 497 A N -0.528 122.345 122.820 0.090 0.000 1.898 497 A HA -0.119 4.201 4.320 0.000 0.000 0.216 497 A C 1.943 179.602 177.584 0.125 0.000 1.181 497 A CA 1.674 53.801 52.037 0.150 0.000 0.620 497 A CB -0.369 18.747 19.000 0.195 0.000 0.819 497 A HN 0.453 nan 8.150 nan 0.000 0.442 498 E N 0.134 120.385 120.200 0.085 0.000 2.107 498 E HA -0.055 4.295 4.350 0.000 0.000 0.191 498 E C 2.242 178.881 176.600 0.065 0.000 0.982 498 E CA 1.241 57.683 56.400 0.070 0.000 0.809 498 E CB -0.421 29.308 29.700 0.049 0.000 0.756 498 E HN 0.538 nan 8.360 nan 0.000 0.459 499 S N 0.426 116.161 115.700 0.057 0.000 2.406 499 S HA -0.055 4.415 4.470 0.000 0.000 0.228 499 S C 2.039 176.674 174.600 0.060 0.000 1.020 499 S CA 1.067 59.296 58.200 0.049 0.000 0.965 499 S CB -0.108 63.113 63.200 0.036 0.000 0.798 499 S HN 0.255 nan 8.310 nan 0.000 0.488 500 T N 1.847 116.448 114.554 0.078 0.000 2.777 500 T HA -0.085 4.265 4.350 0.000 0.000 0.266 500 T C 1.847 176.624 174.700 0.128 0.000 1.040 500 T CA 1.045 63.206 62.100 0.103 0.000 1.141 500 T CB -0.252 68.694 68.868 0.130 0.000 0.868 500 T HN 0.356 nan 8.240 nan 0.000 0.444 501 E N 0.965 121.248 120.200 0.138 0.000 2.110 501 E HA -0.155 4.195 4.350 0.000 0.000 0.193 501 E C 2.167 178.812 176.600 0.074 0.000 0.988 501 E CA 0.870 57.339 56.400 0.115 0.000 0.804 501 E CB -0.268 29.496 29.700 0.107 0.000 0.745 501 E HN 0.331 nan 8.360 nan 0.000 0.458 502 M N 0.936 120.575 119.600 0.065 0.000 2.067 502 M HA -0.163 4.317 4.480 0.000 0.000 0.260 502 M C 2.495 178.824 176.300 0.049 0.000 1.069 502 M CA 1.144 56.475 55.300 0.051 0.000 1.117 502 M CB -0.861 31.766 32.600 0.046 0.000 1.334 502 M HN 0.276 nan 8.290 nan 0.000 0.407 503 L N 0.675 121.929 121.223 0.052 0.000 2.013 503 L HA -0.264 4.076 4.340 0.000 0.000 0.212 503 L C 2.284 179.180 176.870 0.043 0.000 1.073 503 L CA 1.460 56.328 54.840 0.048 0.000 0.753 503 L CB -0.393 41.692 42.059 0.044 0.000 0.890 503 L HN 0.355 nan 8.230 nan 0.000 0.432 504 L N -0.642 120.610 121.223 0.049 0.000 2.201 504 L HA -0.191 4.149 4.340 0.000 0.000 0.212 504 L C 2.720 179.603 176.870 0.021 0.000 1.105 504 L CA 0.914 55.773 54.840 0.033 0.000 0.775 504 L CB -0.523 41.561 42.059 0.042 0.000 0.913 504 L HN 0.315 nan 8.230 nan 0.000 0.440 505 R N 0.190 120.708 120.500 0.031 0.000 2.193 505 R HA -0.017 4.323 4.340 0.000 0.000 0.213 505 R C 0.628 176.945 176.300 0.028 0.000 1.055 505 R CA 0.276 56.394 56.100 0.029 0.000 0.995 505 R CB 0.305 30.626 30.300 0.034 0.000 0.893 505 R HN 0.104 nan 8.270 nan 0.000 0.459 506 I N 3.086 123.675 120.570 0.033 0.000 2.471 506 I HA -0.022 4.148 4.170 0.000 0.000 0.286 506 I C 0.188 176.326 176.117 0.035 0.000 1.079 506 I CA 0.309 61.631 61.300 0.037 0.000 1.398 506 I CB 1.123 39.151 38.000 0.047 0.000 1.403 506 I HN 0.219 nan 8.210 nan 0.000 0.530 507 D N 2.694 123.115 120.400 0.034 0.000 2.540 507 D HA 0.152 4.792 4.640 0.000 0.000 0.229 507 D C -0.207 176.119 176.300 0.045 0.000 1.250 507 D CA -0.137 53.882 54.000 0.033 0.000 0.817 507 D CB 0.461 41.272 40.800 0.018 0.000 1.060 507 D HN 0.360 nan 8.370 nan 0.000 0.508 508 D N 0.209 120.639 120.400 0.050 0.000 2.738 508 D HA 0.265 4.905 4.640 0.000 0.000 0.218 508 D C -1.648 174.685 176.300 0.054 0.000 1.345 508 D CA -0.440 53.591 54.000 0.051 0.000 0.943 508 D CB 1.997 42.815 40.800 0.031 0.000 1.514 508 D HN -0.163 nan 8.370 nan 0.000 0.585 509 V N 4.354 124.313 119.914 0.075 0.000 2.444 509 V HA 0.554 4.674 4.120 0.000 0.000 0.294 509 V C -0.134 175.975 176.094 0.025 0.000 1.022 509 V CA -0.666 61.673 62.300 0.065 0.000 0.850 509 V CB 1.544 33.432 31.823 0.108 0.000 0.992 509 V HN 0.416 nan 8.190 nan 0.000 0.426 510 I N 4.219 124.786 120.570 -0.005 0.000 2.382 510 I HA 0.681 4.851 4.170 0.000 0.000 0.285 510 I C 0.368 176.461 176.117 -0.040 0.000 1.007 510 I CA -0.248 61.030 61.300 -0.037 0.000 1.142 510 I CB 1.834 39.816 38.000 -0.031 0.000 1.289 510 I HN 0.645 nan 8.210 nan 0.000 0.453 511 A N 5.395 128.179 122.820 -0.061 0.000 2.394 511 A HA 0.862 5.182 4.320 0.000 0.000 0.333 511 A C 0.342 177.896 177.584 -0.049 0.000 1.397 511 A CA -0.558 51.447 52.037 -0.053 0.000 0.884 511 A CB 0.223 19.183 19.000 -0.067 0.000 1.147 511 A HN 0.752 nan 8.150 nan 0.000 0.505 512 A N 2.009 124.808 122.820 -0.035 0.000 2.425 512 A HA 0.501 4.821 4.320 0.000 0.000 0.242 512 A C 0.584 178.155 177.584 -0.022 0.000 1.077 512 A CA -0.067 51.952 52.037 -0.029 0.000 0.781 512 A CB 0.115 19.103 19.000 -0.021 0.000 1.020 512 A HN 0.860 nan 8.150 nan 0.000 0.494 513 E N 0.000 120.188 120.200 -0.020 0.000 2.725 513 E HA 0.000 4.350 4.350 0.000 0.000 0.291 513 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 513 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 513 E HN 0.000 nan 8.360 nan 0.000 0.440