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 3amj_1_D DATA FIRST_RESID 21 DATA SEQUENCE AIKIEHWTAP SGAQVYYVEN RTLPMLDVQV DFDAGSAREP ADQVGVASMT DATA SEQUENCE ASLMDAGTGS GKSALDENAI ADRLADIGAR LGGGAEADRA SFSLRVLSSP DATA SEQUENCE AERNSALTIL RDILAHPTFP APVLERERAR AIAGLREAQT QPGSILGRRF DATA SEQUENCE TELAYGKHPY GHVSSVATLQ KISRDQLVSF HRTHYVARTA VVTLVGDITR DATA SEQUENCE AEAETIAQQL TADLPAGATL PPLPDPAMPR ATVERIANPA TQAHIAIGMP DATA SEQUENCE TLKRGDPDFF PLVVGNYALG GGGFESRLMK EIRDKRGLSY GAYSYFSPQK DATA SEQUENCE SMGLFQIGFE TRAEKADEAV QVANDTLDAF LREGPTDAEL QAAKDNLING DATA SEQUENCE FALRLDSNAK ILGQVAVIGY YGLPLDYLDH YTERVQAVTV EQVREAFARH DATA SEQUENCE VKRENLITVV V 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 21 A HA 0.000 nan 4.320 nan 0.000 0.244 21 A C 0.000 177.585 177.584 0.002 0.000 1.274 21 A CA 0.000 52.041 52.037 0.007 0.000 0.836 21 A CB 0.000 19.019 19.000 0.032 0.000 0.831 22 I N -1.184 119.391 120.570 0.009 0.000 2.730 22 I HA 0.675 4.926 4.170 0.135 0.000 0.298 22 I C -0.734 175.391 176.117 0.013 0.000 1.089 22 I CA -0.746 60.556 61.300 0.004 0.000 1.041 22 I CB 2.141 40.142 38.000 0.001 0.000 1.235 22 I HN 0.421 nan 8.210 nan 0.000 0.423 23 K N 6.323 126.723 120.400 -0.002 0.000 2.281 23 K HA 0.551 4.952 4.320 0.135 0.000 0.272 23 K C -1.150 175.453 176.600 0.006 0.000 1.048 23 K CA -0.584 55.708 56.287 0.009 0.000 0.898 23 K CB 0.989 33.487 32.500 -0.005 0.000 1.128 23 K HN 0.692 nan 8.250 nan 0.000 0.460 24 I N 4.366 124.974 120.570 0.063 0.000 2.297 24 I HA 0.131 4.382 4.170 0.135 0.000 0.291 24 I C 0.000 176.210 176.117 0.154 0.000 1.033 24 I CA -0.442 60.925 61.300 0.111 0.000 1.253 24 I CB 1.161 39.273 38.000 0.188 0.000 1.396 24 I HN 0.466 nan 8.210 nan 0.000 0.476 25 E N 5.255 125.554 120.200 0.165 0.000 2.259 25 E HA 0.294 4.725 4.350 0.135 0.000 0.281 25 E C -0.795 176.021 176.600 0.361 0.000 1.027 25 E CA -0.422 56.170 56.400 0.320 0.000 0.838 25 E CB 1.144 31.101 29.700 0.429 0.000 1.066 25 E HN 0.514 nan 8.360 nan 0.000 0.401 26 H N 3.336 122.520 119.070 0.189 0.000 2.679 26 H HA 0.554 5.190 4.556 0.134 0.000 0.360 26 H C -1.387 174.013 175.328 0.120 0.000 1.105 26 H CA -0.805 55.117 56.048 -0.209 0.000 1.196 26 H CB 0.827 30.306 29.762 -0.471 0.000 1.636 26 H HN 0.633 nan 8.280 nan 0.000 0.531 27 W N 1.551 122.325 121.300 -0.877 0.000 3.019 27 W HA 0.647 5.390 4.660 0.138 0.000 0.412 27 W C -1.826 174.294 176.519 -0.664 0.000 1.087 27 W CA -1.040 55.926 57.345 -0.632 0.000 1.170 27 W CB 0.791 30.099 29.460 -0.253 0.000 1.483 27 W HN 0.578 nan 8.180 nan 0.000 0.606 28 T N 1.973 116.470 114.554 -0.095 0.000 2.840 28 T HA 0.618 5.048 4.350 0.135 0.000 0.287 28 T C -0.086 174.666 174.700 0.087 0.000 0.991 28 T CA -0.296 61.735 62.100 -0.116 0.000 0.964 28 T CB 0.925 69.763 68.868 -0.049 0.000 0.954 28 T HN 0.737 nan 8.240 nan 0.000 0.438 29 A N 5.195 128.022 122.820 0.012 0.000 2.483 29 A HA 0.388 4.788 4.320 0.135 0.000 0.238 29 A C -1.086 176.534 177.584 0.061 0.000 1.070 29 A CA -0.895 51.195 52.037 0.089 0.000 0.770 29 A CB -0.142 18.873 19.000 0.026 0.000 1.008 29 A HN 0.541 nan 8.150 nan 0.000 0.497 30 P HA -0.254 nan 4.420 nan 0.000 0.218 30 P C 1.802 179.117 177.300 0.025 0.000 1.154 30 P CA 2.316 65.438 63.100 0.037 0.000 0.872 30 P CB -0.041 31.677 31.700 0.031 0.000 0.790 31 S N -2.050 113.665 115.700 0.024 0.000 2.399 31 S HA 0.008 4.559 4.470 0.135 0.000 0.231 31 S C 1.746 176.352 174.600 0.010 0.000 1.022 31 S CA 1.436 59.647 58.200 0.017 0.000 0.983 31 S CB -1.169 62.042 63.200 0.020 0.000 0.803 31 S HN 0.332 nan 8.310 nan 0.000 0.480 32 G N 0.062 108.864 108.800 0.003 0.000 2.227 32 G HA2 0.157 4.198 3.960 0.135 0.000 0.168 32 G HA3 0.157 4.198 3.960 0.135 0.000 0.168 32 G C 0.062 174.949 174.900 -0.022 0.000 1.006 32 G CA -0.169 44.928 45.100 -0.005 0.000 0.684 32 G HN 1.137 nan 8.290 nan 0.000 0.489 33 A N 0.223 123.021 122.820 -0.037 0.000 2.363 33 A HA 0.722 5.123 4.320 0.135 0.000 0.270 33 A C 0.367 177.876 177.584 -0.124 0.000 1.121 33 A CA -0.008 51.987 52.037 -0.069 0.000 0.800 33 A CB 0.558 19.512 19.000 -0.077 0.000 1.052 33 A HN 0.287 nan 8.150 nan 0.000 0.493 34 Q N 0.763 120.504 119.800 -0.099 0.000 2.297 34 Q HA 0.438 4.859 4.340 0.135 0.000 0.267 34 Q C -0.525 175.335 176.000 -0.234 0.000 1.006 34 Q CA 0.414 56.133 55.803 -0.141 0.000 0.896 34 Q CB 1.070 29.874 28.738 0.111 0.000 1.186 34 Q HN 0.458 nan 8.270 nan 0.000 0.392 35 V N 4.583 124.093 119.914 -0.673 0.000 2.495 35 V HA 0.490 4.691 4.120 0.135 0.000 0.298 35 V C -1.046 174.482 176.094 -0.943 0.000 1.031 35 V CA -0.841 60.986 62.300 -0.789 0.000 0.871 35 V CB 0.949 31.976 31.823 -1.328 0.000 0.988 35 V HN 0.599 nan 8.190 nan 0.000 0.432 36 Y N 3.802 123.880 120.300 -0.370 0.000 2.462 36 Y HA 0.733 5.365 4.550 0.137 0.000 0.346 36 Y C -0.719 175.175 175.900 -0.010 0.000 0.976 36 Y CA -1.094 56.914 58.100 -0.153 0.000 1.044 36 Y CB 2.056 40.510 38.460 -0.010 0.000 1.230 36 Y HN 0.672 nan 8.280 nan 0.000 0.455 37 Y N 1.420 121.770 120.300 0.084 0.000 2.399 37 Y HA 0.709 5.339 4.550 0.134 0.000 0.327 37 Y C -2.288 173.709 175.900 0.161 0.000 1.111 37 Y CA -1.559 56.618 58.100 0.129 0.000 1.047 37 Y CB 1.228 39.825 38.460 0.230 0.000 1.259 37 Y HN 0.390 nan 8.280 nan 0.000 0.434 38 V N 6.348 126.158 119.914 -0.173 0.000 2.350 38 V HA 0.287 4.488 4.120 0.135 0.000 0.285 38 V C -0.192 175.680 176.094 -0.370 0.000 1.014 38 V CA -0.925 61.186 62.300 -0.316 0.000 0.831 38 V CB 1.371 33.147 31.823 -0.079 0.000 1.000 38 V HN 0.806 nan 8.190 nan 0.000 0.433 39 E N 4.667 124.515 120.200 -0.586 0.000 2.376 39 E HA 0.143 4.574 4.350 0.135 0.000 0.266 39 E C -0.209 176.370 176.600 -0.035 0.000 1.009 39 E CA 0.071 56.373 56.400 -0.164 0.000 0.902 39 E CB 0.472 30.120 29.700 -0.086 0.000 0.972 39 E HN 0.776 nan 8.360 nan 0.000 0.439 40 N N 3.503 122.230 118.700 0.046 0.000 2.653 40 N HA 0.120 4.941 4.740 0.135 0.000 0.261 40 N C -0.419 175.122 175.510 0.050 0.000 1.216 40 N CA -0.644 52.426 53.050 0.034 0.000 0.784 40 N CB 0.351 38.854 38.487 0.027 0.000 1.327 40 N HN 0.351 nan 8.380 nan 0.000 0.539 41 R N 1.357 121.883 120.500 0.043 0.000 2.363 41 R HA 0.103 4.524 4.340 0.135 0.000 0.236 41 R C 0.866 177.185 176.300 0.030 0.000 0.966 41 R CA 0.054 56.180 56.100 0.042 0.000 1.100 41 R CB -0.804 29.520 30.300 0.040 0.000 1.125 41 R HN 0.485 nan 8.270 nan 0.000 0.514 42 T N 0.724 115.293 114.554 0.026 0.000 2.732 42 T HA 0.101 4.531 4.350 0.135 0.000 0.261 42 T C 0.942 175.653 174.700 0.020 0.000 1.040 42 T CA 0.815 62.926 62.100 0.019 0.000 1.145 42 T CB 0.124 69.000 68.868 0.014 0.000 0.866 42 T HN 0.097 nan 8.240 nan 0.000 0.427 43 L N 1.870 123.107 121.223 0.023 0.000 2.322 43 L HA 0.381 4.802 4.340 0.135 0.000 0.281 43 L C -2.479 174.408 176.870 0.028 0.000 1.014 43 L CA -2.484 52.369 54.840 0.022 0.000 0.815 43 L CB 1.702 43.773 42.059 0.020 0.000 1.247 43 L HN -0.114 nan 8.230 nan 0.000 0.421 44 P HA 0.097 nan 4.420 nan 0.000 0.231 44 P C -0.720 176.597 177.300 0.029 0.000 1.756 44 P CA 0.212 63.329 63.100 0.028 0.000 0.990 44 P CB -0.229 31.485 31.700 0.022 0.000 1.973 45 M N -0.518 119.103 119.600 0.034 0.000 2.744 45 M HA 0.739 5.299 4.480 0.135 0.000 0.283 45 M C -1.776 174.551 176.300 0.045 0.000 1.275 45 M CA -1.497 53.824 55.300 0.035 0.000 0.796 45 M CB 2.158 34.775 32.600 0.029 0.000 1.739 45 M HN -0.198 nan 8.290 nan 0.000 0.454 46 L N 0.965 122.215 121.223 0.045 0.000 2.493 46 L HA 0.595 5.015 4.340 0.135 0.000 0.265 46 L C -2.113 174.787 176.870 0.051 0.000 0.954 46 L CA 0.034 54.907 54.840 0.055 0.000 0.844 46 L CB 2.372 44.464 42.059 0.055 0.000 1.302 46 L HN 0.735 nan 8.230 nan 0.000 0.405 47 D N 4.555 124.989 120.400 0.058 0.000 2.425 47 D HA 0.463 5.184 4.640 0.135 0.000 0.240 47 D C -0.797 175.538 176.300 0.060 0.000 1.080 47 D CA -0.084 53.946 54.000 0.051 0.000 0.836 47 D CB 2.519 43.344 40.800 0.041 0.000 1.125 47 D HN 0.252 nan 8.370 nan 0.000 0.525 48 V N 2.238 122.186 119.914 0.057 0.000 2.547 48 V HA 0.384 4.585 4.120 0.135 0.000 0.299 48 V C 0.021 176.150 176.094 0.057 0.000 1.040 48 V CA -0.647 61.688 62.300 0.058 0.000 0.913 48 V CB 2.054 33.911 31.823 0.057 0.000 0.992 48 V HN 0.451 nan 8.190 nan 0.000 0.449 49 Q N 2.597 122.424 119.800 0.045 0.000 2.323 49 Q HA 0.678 5.098 4.340 0.135 0.000 0.271 49 Q C -1.979 174.028 176.000 0.011 0.000 1.048 49 Q CA -0.517 55.310 55.803 0.040 0.000 0.792 49 Q CB 2.332 31.079 28.738 0.014 0.000 1.280 49 Q HN 0.574 nan 8.270 nan 0.000 0.441 50 V N 3.775 123.712 119.914 0.039 0.000 2.325 50 V HA 0.344 4.545 4.120 0.135 0.000 0.280 50 V C -0.766 175.236 176.094 -0.154 0.000 1.016 50 V CA -0.858 61.388 62.300 -0.089 0.000 0.818 50 V CB 1.248 33.047 31.823 -0.039 0.000 1.019 50 V HN 0.790 nan 8.190 nan 0.000 0.434 51 D N 3.410 123.628 120.400 -0.303 0.000 2.294 51 D HA 0.699 5.420 4.640 0.135 0.000 0.250 51 D C -0.565 175.386 176.300 -0.581 0.000 1.058 51 D CA 0.184 53.986 54.000 -0.329 0.000 0.950 51 D CB 1.779 42.344 40.800 -0.392 0.000 1.158 51 D HN 0.289 nan 8.370 nan 0.000 0.453 52 F N -0.431 119.446 119.950 -0.123 0.000 2.643 52 F HA 0.148 4.753 4.527 0.131 0.000 0.314 52 F C 0.395 176.175 175.800 -0.034 0.000 1.096 52 F CA -1.006 56.937 58.000 -0.095 0.000 0.953 52 F CB 1.256 40.056 39.000 -0.334 0.000 1.345 52 F HN -0.001 nan 8.300 nan 0.000 0.468 53 D N 1.838 122.383 120.400 0.242 0.000 2.608 53 D HA 0.479 5.200 4.640 0.135 0.000 0.224 53 D C -0.233 176.088 176.300 0.035 0.000 1.123 53 D CA 0.510 54.620 54.000 0.184 0.000 1.030 53 D CB 0.184 41.071 40.800 0.144 0.000 1.093 53 D HN 0.629 nan 8.370 nan 0.000 0.497 54 A N 2.034 124.840 122.820 -0.022 0.000 2.758 54 A HA 0.505 4.906 4.320 0.135 0.000 0.223 54 A C 0.807 178.509 177.584 0.197 0.000 0.877 54 A CA -0.249 51.737 52.037 -0.084 0.000 1.152 54 A CB 0.185 18.844 19.000 -0.568 0.000 1.239 54 A HN 0.370 nan 8.150 nan 0.000 0.470 55 G N -0.153 108.732 108.800 0.142 0.000 2.653 55 G HA2 0.368 4.409 3.960 0.135 0.000 0.265 55 G HA3 0.368 4.409 3.960 0.135 0.000 0.265 55 G C 1.158 176.118 174.900 0.099 0.000 1.237 55 G CA 0.461 45.633 45.100 0.120 0.000 0.946 55 G HN 0.933 nan 8.290 nan 0.000 0.522 56 S N -1.208 114.507 115.700 0.025 0.000 2.555 56 S HA 0.085 4.636 4.470 0.135 0.000 0.230 56 S C 2.031 176.536 174.600 -0.159 0.000 0.978 56 S CA 1.002 59.166 58.200 -0.061 0.000 0.934 56 S CB 0.023 63.201 63.200 -0.036 0.000 0.766 56 S HN 0.920 nan 8.310 nan 0.000 0.533 57 A N 1.336 124.092 122.820 -0.106 0.000 2.208 57 A HA 0.249 4.650 4.320 0.135 0.000 0.209 57 A C 1.986 179.465 177.584 -0.174 0.000 1.161 57 A CA 0.036 51.932 52.037 -0.234 0.000 0.782 57 A CB -0.114 18.807 19.000 -0.132 0.000 0.816 57 A HN 0.324 nan 8.150 nan 0.000 0.477 58 R N 0.500 120.974 120.500 -0.043 0.000 2.397 58 R HA 0.175 4.596 4.340 0.135 0.000 0.241 58 R C -0.448 175.905 176.300 0.087 0.000 0.914 58 R CA -0.010 56.112 56.100 0.037 0.000 1.071 58 R CB -0.058 30.272 30.300 0.049 0.000 1.116 58 R HN 0.625 nan 8.270 nan 0.000 0.524 59 E N 1.928 122.097 120.200 -0.052 0.000 2.392 59 E HA 0.102 4.533 4.350 0.135 0.000 0.264 59 E C -2.217 174.418 176.600 0.058 0.000 1.024 59 E CA -1.612 54.724 56.400 -0.107 0.000 0.903 59 E CB 0.322 29.959 29.700 -0.105 0.000 0.963 59 E HN -0.084 nan 8.360 nan 0.000 0.432 60 P HA -0.063 nan 4.420 nan 0.000 0.270 60 P C -0.085 177.265 177.300 0.083 0.000 1.223 60 P CA 0.100 63.244 63.100 0.074 0.000 0.785 60 P CB 0.680 32.408 31.700 0.048 0.000 0.923 61 A N 2.335 125.186 122.820 0.052 0.000 1.933 61 A HA -0.184 4.217 4.320 0.135 0.000 0.218 61 A C 1.549 179.027 177.584 -0.177 0.000 1.175 61 A CA 1.924 53.911 52.037 -0.084 0.000 0.628 61 A CB -1.141 17.833 19.000 -0.042 0.000 0.814 61 A HN 0.690 nan 8.150 nan 0.000 0.444 62 D N -0.060 120.287 120.400 -0.088 0.000 2.355 62 D HA -0.118 4.603 4.640 0.135 0.000 0.218 62 D C 0.668 176.915 176.300 -0.088 0.000 1.004 62 D CA 0.699 54.648 54.000 -0.085 0.000 0.880 62 D CB -0.366 40.406 40.800 -0.048 0.000 0.911 62 D HN 0.746 nan 8.370 nan 0.000 0.528 63 Q N 0.909 120.654 119.800 -0.092 0.000 2.773 63 Q HA 0.379 4.800 4.340 0.135 0.000 0.373 63 Q C -0.687 175.246 176.000 -0.111 0.000 0.940 63 Q CA -0.558 55.188 55.803 -0.096 0.000 1.015 63 Q CB 0.964 29.650 28.738 -0.086 0.000 1.349 63 Q HN -0.126 nan 8.270 nan 0.000 0.413 64 V N 1.357 121.195 119.914 -0.126 0.000 2.585 64 V HA 0.281 4.482 4.120 0.135 0.000 0.296 64 V C 1.380 177.432 176.094 -0.068 0.000 1.035 64 V CA 1.469 63.713 62.300 -0.094 0.000 1.084 64 V CB 0.625 32.362 31.823 -0.143 0.000 0.953 64 V HN 0.982 nan 8.190 nan 0.000 0.483 65 G N 3.558 112.327 108.800 -0.052 0.000 2.195 65 G HA2 -0.231 3.810 3.960 0.135 0.000 0.224 65 G HA3 -0.231 3.810 3.960 0.135 0.000 0.224 65 G C 0.561 175.396 174.900 -0.108 0.000 0.990 65 G CA 0.180 45.243 45.100 -0.061 0.000 0.639 65 G HN 0.571 nan 8.290 nan 0.000 0.514 66 V N 1.142 120.946 119.914 -0.184 0.000 2.307 66 V HA 0.062 4.263 4.120 0.135 0.000 0.245 66 V C 3.227 179.095 176.094 -0.376 0.000 1.045 66 V CA 3.020 65.152 62.300 -0.281 0.000 1.024 66 V CB -0.858 30.748 31.823 -0.362 0.000 0.651 66 V HN 0.894 nan 8.190 nan 0.000 0.449 67 A N -0.784 121.724 122.820 -0.521 0.000 1.865 67 A HA -0.275 4.126 4.320 0.135 0.000 0.217 67 A C 2.566 180.148 177.584 -0.003 0.000 1.191 67 A CA 2.490 54.308 52.037 -0.364 0.000 0.623 67 A CB -0.998 17.867 19.000 -0.226 0.000 0.826 67 A HN 0.473 nan 8.150 nan 0.000 0.444 68 S N -1.490 114.193 115.700 -0.028 0.000 2.368 68 S HA -0.160 4.391 4.470 0.135 0.000 0.225 68 S C 2.120 176.743 174.600 0.038 0.000 1.030 68 S CA 1.733 59.944 58.200 0.018 0.000 0.999 68 S CB -0.373 62.824 63.200 -0.006 0.000 0.844 68 S HN 0.422 nan 8.310 nan 0.000 0.459 69 M N 0.987 120.593 119.600 0.010 0.000 2.132 69 M HA -0.063 4.498 4.480 0.135 0.000 0.263 69 M C 2.217 178.587 176.300 0.115 0.000 1.065 69 M CA 1.605 56.925 55.300 0.034 0.000 1.122 69 M CB -1.901 30.690 32.600 -0.015 0.000 1.365 69 M HN 0.350 nan 8.290 nan 0.000 0.411 70 T N 0.905 115.540 114.554 0.135 0.000 2.684 70 T HA -0.106 4.325 4.350 0.135 0.000 0.267 70 T C 1.820 176.753 174.700 0.389 0.000 1.036 70 T CA 1.701 63.980 62.100 0.299 0.000 1.148 70 T CB -0.381 68.724 68.868 0.395 0.000 0.863 70 T HN 0.486 nan 8.240 nan 0.000 0.436 71 A N 1.860 124.881 122.820 0.336 0.000 1.898 71 A HA -0.076 4.325 4.320 0.135 0.000 0.216 71 A C 2.546 180.243 177.584 0.187 0.000 1.181 71 A CA 2.026 54.262 52.037 0.331 0.000 0.620 71 A CB -0.891 18.264 19.000 0.258 0.000 0.819 71 A HN 0.590 nan 8.150 nan 0.000 0.442 72 S N -0.955 114.813 115.700 0.114 0.000 2.507 72 S HA 0.104 4.655 4.470 0.135 0.000 0.235 72 S C 1.423 176.071 174.600 0.080 0.000 0.988 72 S CA 1.129 59.362 58.200 0.054 0.000 0.944 72 S CB -0.285 62.935 63.200 0.032 0.000 0.762 72 S HN 0.436 nan 8.310 nan 0.000 0.526 73 L N -0.578 120.731 121.223 0.143 0.000 2.672 73 L HA 0.368 4.789 4.340 0.135 0.000 0.236 73 L C 2.337 179.186 176.870 -0.035 0.000 1.092 73 L CA 0.092 55.005 54.840 0.121 0.000 0.887 73 L CB -0.199 42.028 42.059 0.281 0.000 1.168 73 L HN 0.303 nan 8.230 nan 0.000 0.502 74 M N 0.692 120.270 119.600 -0.037 0.000 2.149 74 M HA -0.205 4.356 4.480 0.135 0.000 0.261 74 M C 1.401 177.583 176.300 -0.197 0.000 1.064 74 M CA 1.841 56.971 55.300 -0.283 0.000 1.102 74 M CB -0.360 32.145 32.600 -0.159 0.000 1.369 74 M HN 0.280 nan 8.290 nan 0.000 0.408 75 D N -0.245 120.149 120.400 -0.010 0.000 2.338 75 D HA -0.005 4.716 4.640 0.135 0.000 0.239 75 D C 1.066 177.339 176.300 -0.044 0.000 1.095 75 D CA 0.724 54.723 54.000 -0.002 0.000 0.888 75 D CB -0.151 40.697 40.800 0.079 0.000 0.899 75 D HN 0.286 nan 8.370 nan 0.000 0.525 76 A N -0.381 122.386 122.820 -0.088 0.000 2.252 76 A HA 0.586 4.987 4.320 0.135 0.000 0.213 76 A C 1.098 178.629 177.584 -0.089 0.000 1.188 76 A CA 0.372 52.369 52.037 -0.067 0.000 0.863 76 A CB 0.420 19.396 19.000 -0.040 0.000 0.893 76 A HN 0.393 nan 8.150 nan 0.000 0.495 77 G N -1.872 106.840 108.800 -0.147 0.000 2.691 77 G HA2 0.494 4.535 3.960 0.135 0.000 0.298 77 G HA3 0.494 4.535 3.960 0.135 0.000 0.298 77 G C -1.213 173.581 174.900 -0.175 0.000 1.471 77 G CA -0.057 44.961 45.100 -0.136 0.000 0.912 77 G HN 0.075 nan 8.290 nan 0.000 0.553 78 T N -0.185 114.300 114.554 -0.115 0.000 2.900 78 T HA 0.817 5.248 4.350 0.135 0.000 0.303 78 T C 0.667 175.329 174.700 -0.063 0.000 1.142 78 T CA 1.173 63.216 62.100 -0.095 0.000 1.007 78 T CB 1.468 70.294 68.868 -0.071 0.000 1.156 78 T HN 2.438 nan 8.240 nan 0.000 0.490 79 G N 2.271 111.044 108.800 -0.045 0.000 2.562 79 G HA2 0.109 4.150 3.960 0.135 0.000 0.250 79 G HA3 0.109 4.150 3.960 0.135 0.000 0.250 79 G C -0.258 174.602 174.900 -0.067 0.000 1.269 79 G CA 0.283 45.339 45.100 -0.074 0.000 0.919 79 G HN 2.057 nan 8.290 nan 0.000 0.574 80 S N -2.200 113.458 115.700 -0.070 0.000 2.580 80 S HA 0.696 5.246 4.470 0.135 0.000 0.281 80 S C 1.438 176.010 174.600 -0.046 0.000 1.129 80 S CA 0.570 58.740 58.200 -0.051 0.000 0.862 80 S CB 1.172 64.342 63.200 -0.050 0.000 1.090 80 S HN 2.983 nan 8.310 nan 0.000 0.451 81 G N 3.195 111.975 108.800 -0.033 0.000 3.947 81 G HA2 -0.466 3.575 3.960 0.135 0.000 0.365 81 G HA3 -0.466 3.575 3.960 0.135 0.000 0.365 81 G C 0.887 175.770 174.900 -0.029 0.000 1.532 81 G CA 1.624 46.708 45.100 -0.028 0.000 1.426 81 G HN 0.956 nan 8.290 nan 0.000 0.794 82 K N 0.963 121.343 120.400 -0.034 0.000 2.067 82 K HA 0.228 4.629 4.320 0.135 0.000 0.203 82 K C 2.805 179.384 176.600 -0.035 0.000 1.048 82 K CA 1.681 57.949 56.287 -0.032 0.000 0.954 82 K CB -0.263 32.218 32.500 -0.032 0.000 0.737 82 K HN 0.597 nan 8.250 nan 0.000 0.444 83 S N -0.002 115.670 115.700 -0.046 0.000 2.634 83 S HA 0.351 4.902 4.470 0.135 0.000 0.221 83 S C 0.609 175.181 174.600 -0.046 0.000 0.952 83 S CA -0.452 57.719 58.200 -0.048 0.000 0.930 83 S CB -0.136 63.023 63.200 -0.068 0.000 0.780 83 S HN 0.175 nan 8.310 nan 0.000 0.498 84 A N 2.210 125.005 122.820 -0.042 0.000 2.522 84 A HA 0.543 4.944 4.320 0.135 0.000 0.256 84 A C -0.060 177.504 177.584 -0.033 0.000 1.086 84 A CA -0.073 51.941 52.037 -0.039 0.000 0.763 84 A CB -0.167 18.814 19.000 -0.032 0.000 1.024 84 A HN 0.640 nan 8.150 nan 0.000 0.502 85 L N 3.318 124.518 121.223 -0.037 0.000 2.376 85 L HA 0.348 4.769 4.340 0.135 0.000 0.275 85 L C -0.474 176.374 176.870 -0.036 0.000 0.987 85 L CA -1.006 53.814 54.840 -0.033 0.000 0.828 85 L CB 1.957 43.997 42.059 -0.031 0.000 1.249 85 L HN 0.932 nan 8.230 nan 0.000 0.409 86 D N 0.490 120.873 120.400 -0.028 0.000 2.383 86 D HA 0.040 4.761 4.640 0.135 0.000 0.248 86 D C 0.975 177.259 176.300 -0.027 0.000 1.170 86 D CA -0.521 53.463 54.000 -0.027 0.000 0.977 86 D CB 1.061 41.850 40.800 -0.019 0.000 1.120 86 D HN 0.632 nan 8.370 nan 0.000 0.481 87 E N 0.162 120.347 120.200 -0.026 0.000 2.095 87 E HA -0.408 4.023 4.350 0.135 0.000 0.212 87 E C 1.343 177.934 176.600 -0.015 0.000 1.044 87 E CA 2.085 58.472 56.400 -0.021 0.000 0.857 87 E CB -0.107 29.584 29.700 -0.015 0.000 0.764 87 E HN 0.485 nan 8.360 nan 0.000 0.462 88 N N 0.290 118.984 118.700 -0.011 0.000 2.069 88 N HA -0.195 4.626 4.740 0.135 0.000 0.191 88 N C 1.627 177.132 175.510 -0.008 0.000 1.031 88 N CA 1.535 54.580 53.050 -0.008 0.000 0.852 88 N CB -0.819 37.664 38.487 -0.007 0.000 1.018 88 N HN 0.348 nan 8.380 nan 0.000 0.423 89 A N 1.375 124.189 122.820 -0.011 0.000 1.869 89 A HA -0.205 4.196 4.320 0.135 0.000 0.218 89 A C 2.272 179.851 177.584 -0.009 0.000 1.203 89 A CA 2.108 54.139 52.037 -0.011 0.000 0.638 89 A CB -1.032 17.959 19.000 -0.014 0.000 0.831 89 A HN 0.429 nan 8.150 nan 0.000 0.450 90 I N -1.334 119.228 120.570 -0.012 0.000 2.264 90 I HA -0.095 4.155 4.170 0.135 0.000 0.248 90 I C 2.313 178.430 176.117 -0.000 0.000 1.111 90 I CA 1.947 63.243 61.300 -0.008 0.000 1.382 90 I CB -0.744 37.247 38.000 -0.014 0.000 1.060 90 I HN 0.221 nan 8.210 nan 0.000 0.418 91 A N 0.709 123.528 122.820 -0.001 0.000 1.873 91 A HA -0.165 4.236 4.320 0.135 0.000 0.215 91 A C 1.971 179.557 177.584 0.003 0.000 1.186 91 A CA 1.980 54.019 52.037 0.003 0.000 0.616 91 A CB -1.022 17.978 19.000 0.001 0.000 0.823 91 A HN 0.540 nan 8.150 nan 0.000 0.442 92 D N -0.322 120.078 120.400 0.000 0.000 2.084 92 D HA -0.133 4.587 4.640 0.135 0.000 0.194 92 D C 2.138 178.439 176.300 0.002 0.000 0.990 92 D CA 1.333 55.334 54.000 0.001 0.000 0.826 92 D CB -0.387 40.413 40.800 -0.001 0.000 0.971 92 D HN 0.402 nan 8.370 nan 0.000 0.453 93 R N 0.016 120.517 120.500 0.001 0.000 2.120 93 R HA -0.002 4.419 4.340 0.135 0.000 0.234 93 R C 2.467 178.771 176.300 0.006 0.000 1.123 93 R CA 0.483 56.585 56.100 0.003 0.000 0.975 93 R CB -0.178 30.122 30.300 0.001 0.000 0.866 93 R HN 0.225 nan 8.270 nan 0.000 0.446 94 L N -0.454 120.774 121.223 0.008 0.000 2.044 94 L HA -0.089 4.332 4.340 0.135 0.000 0.205 94 L C 2.598 179.474 176.870 0.011 0.000 1.075 94 L CA 1.146 55.994 54.840 0.013 0.000 0.747 94 L CB -0.562 41.507 42.059 0.017 0.000 0.903 94 L HN 0.242 nan 8.230 nan 0.000 0.435 95 A N -0.184 122.641 122.820 0.009 0.000 1.933 95 A HA -0.241 4.160 4.320 0.135 0.000 0.218 95 A C 1.854 179.442 177.584 0.007 0.000 1.175 95 A CA 1.844 53.885 52.037 0.007 0.000 0.628 95 A CB -0.571 18.432 19.000 0.005 0.000 0.814 95 A HN 0.367 nan 8.150 nan 0.000 0.444 96 D N 0.097 120.500 120.400 0.006 0.000 2.239 96 D HA -0.188 4.533 4.640 0.135 0.000 0.202 96 D C 1.642 177.946 176.300 0.006 0.000 0.993 96 D CA 1.848 55.851 54.000 0.005 0.000 0.874 96 D CB -0.234 40.568 40.800 0.004 0.000 0.922 96 D HN 0.795 nan 8.370 nan 0.000 0.464 97 I N -5.740 114.835 120.570 0.008 0.000 4.227 97 I HA 0.357 4.608 4.170 0.135 0.000 0.334 97 I C 1.187 177.311 176.117 0.011 0.000 1.341 97 I CA 0.392 61.698 61.300 0.010 0.000 1.123 97 I CB 0.600 38.607 38.000 0.011 0.000 1.097 97 I HN -0.025 nan 8.210 nan 0.000 0.399 98 G N 2.280 111.086 108.800 0.011 0.000 2.132 98 G HA2 -0.165 3.876 3.960 0.135 0.000 0.228 98 G HA3 -0.165 3.876 3.960 0.135 0.000 0.228 98 G C 0.317 175.226 174.900 0.014 0.000 1.000 98 G CA 0.012 45.119 45.100 0.012 0.000 0.693 98 G HN 0.881 nan 8.290 nan 0.000 0.515 99 A N -0.050 122.780 122.820 0.016 0.000 2.388 99 A HA 0.787 5.188 4.320 0.135 0.000 0.257 99 A C 0.674 178.271 177.584 0.021 0.000 1.095 99 A CA 0.013 52.063 52.037 0.021 0.000 0.791 99 A CB 0.434 19.448 19.000 0.024 0.000 1.029 99 A HN 0.522 nan 8.150 nan 0.000 0.489 100 R N 0.988 121.503 120.500 0.024 0.000 2.480 100 R HA 0.600 5.021 4.340 0.135 0.000 0.306 100 R C -1.402 174.917 176.300 0.032 0.000 0.958 100 R CA -0.423 55.691 56.100 0.023 0.000 0.861 100 R CB 1.773 32.083 30.300 0.017 0.000 1.171 100 R HN 0.680 nan 8.270 nan 0.000 0.445 101 L N 1.147 122.392 121.223 0.036 0.000 2.438 101 L HA 0.759 5.180 4.340 0.135 0.000 0.270 101 L C -1.016 175.879 176.870 0.042 0.000 0.972 101 L CA -0.278 54.596 54.840 0.058 0.000 0.831 101 L CB 2.141 44.249 42.059 0.082 0.000 1.273 101 L HN 0.731 nan 8.230 nan 0.000 0.405 102 G N 2.630 111.445 108.800 0.025 0.000 2.707 102 G HA2 0.632 4.673 3.960 0.135 0.000 0.299 102 G HA3 0.632 4.673 3.960 0.135 0.000 0.299 102 G C -1.001 173.798 174.900 -0.169 0.000 1.442 102 G CA -0.350 44.722 45.100 -0.047 0.000 1.009 102 G HN 0.883 nan 8.290 nan 0.000 0.515 103 G N -0.436 108.152 108.800 -0.353 0.000 2.448 103 G HA2 0.909 4.949 3.960 0.135 0.000 0.324 103 G HA3 0.909 4.949 3.960 0.135 0.000 0.324 103 G C -0.183 174.358 174.900 -0.597 0.000 1.203 103 G CA -0.247 44.259 45.100 -0.990 0.000 0.954 103 G HN 1.237 nan 8.290 nan 0.000 0.480 104 G N -1.290 107.183 108.800 -0.545 0.000 2.550 104 G HA2 0.771 4.812 3.960 0.135 0.000 0.293 104 G HA3 0.771 4.812 3.960 0.135 0.000 0.293 104 G C -1.464 173.379 174.900 -0.095 0.000 1.402 104 G CA 0.135 45.102 45.100 -0.222 0.000 0.784 104 G HN 1.498 nan 8.290 nan 0.000 0.482 105 A N -0.294 122.520 122.820 -0.011 0.000 2.355 105 A HA 0.830 5.231 4.320 0.135 0.000 0.317 105 A C -0.007 177.582 177.584 0.008 0.000 1.094 105 A CA -0.526 51.538 52.037 0.044 0.000 0.764 105 A CB 1.371 20.439 19.000 0.113 0.000 1.230 105 A HN 0.589 nan 8.150 nan 0.000 0.448 106 E N 0.671 120.873 120.200 0.002 0.000 3.601 106 E HA 0.464 4.895 4.350 0.135 0.000 0.273 106 E C 1.404 178.010 176.600 0.010 0.000 1.368 106 E CA -0.010 56.385 56.400 -0.008 0.000 1.286 106 E CB 0.669 30.359 29.700 -0.018 0.000 1.383 106 E HN 0.676 nan 8.360 nan 0.000 0.746 107 A N 0.813 123.635 122.820 0.003 0.000 1.898 107 A HA -0.146 4.255 4.320 0.135 0.000 0.214 107 A C 1.343 179.003 177.584 0.127 0.000 1.183 107 A CA 1.958 54.016 52.037 0.035 0.000 0.622 107 A CB -0.275 18.695 19.000 -0.050 0.000 0.824 107 A HN 0.596 nan 8.150 nan 0.000 0.444 108 D N -1.214 119.266 120.400 0.134 0.000 2.454 108 D HA 0.086 4.807 4.640 0.135 0.000 0.219 108 D C 0.823 177.190 176.300 0.111 0.000 1.081 108 D CA 0.118 54.243 54.000 0.208 0.000 0.867 108 D CB -0.176 40.837 40.800 0.355 0.000 1.054 108 D HN 0.633 nan 8.370 nan 0.000 0.500 109 R N -0.001 120.477 120.500 -0.036 0.000 2.854 109 R HA 0.814 5.235 4.340 0.135 0.000 0.271 109 R C -1.169 175.074 176.300 -0.096 0.000 0.994 109 R CA -1.095 54.862 56.100 -0.238 0.000 0.945 109 R CB 1.784 31.591 30.300 -0.822 0.000 1.194 109 R HN -0.078 nan 8.270 nan 0.000 0.476 110 A N 1.208 124.009 122.820 -0.031 0.000 2.324 110 A HA 0.624 5.025 4.320 0.135 0.000 0.330 110 A C -0.824 176.858 177.584 0.164 0.000 1.165 110 A CA -0.764 51.358 52.037 0.142 0.000 0.813 110 A CB 1.596 20.801 19.000 0.341 0.000 1.197 110 A HN 0.650 nan 8.150 nan 0.000 0.484 111 S N 0.763 116.536 115.700 0.121 0.000 2.605 111 S HA 0.677 5.228 4.470 0.135 0.000 0.308 111 S C -1.345 173.268 174.600 0.023 0.000 1.113 111 S CA -0.148 58.094 58.200 0.070 0.000 1.049 111 S CB 0.416 63.586 63.200 -0.050 0.000 1.001 111 S HN 0.479 nan 8.310 nan 0.000 0.480 112 F N 2.339 122.357 119.950 0.114 0.000 2.493 112 F HA 0.544 5.152 4.527 0.135 0.000 0.329 112 F C 0.576 176.412 175.800 0.059 0.000 1.126 112 F CA -0.468 57.597 58.000 0.108 0.000 0.937 112 F CB 1.910 41.015 39.000 0.174 0.000 1.146 112 F HN 0.527 nan 8.300 nan 0.000 0.442 113 S N 5.314 121.107 115.700 0.155 0.000 2.536 113 S HA 0.807 5.358 4.470 0.135 0.000 0.298 113 S C -1.518 173.142 174.600 0.101 0.000 1.083 113 S CA -0.754 57.507 58.200 0.102 0.000 0.995 113 S CB 1.950 65.175 63.200 0.042 0.000 1.058 113 S HN 0.727 nan 8.310 nan 0.000 0.488 114 L N 2.547 123.821 121.223 0.085 0.000 2.410 114 L HA 0.646 5.067 4.340 0.135 0.000 0.270 114 L C -0.834 176.067 176.870 0.052 0.000 0.983 114 L CA -0.638 54.245 54.840 0.072 0.000 0.822 114 L CB 2.005 44.111 42.059 0.077 0.000 1.285 114 L HN 1.023 nan 8.230 nan 0.000 0.409 115 R N 4.879 125.405 120.500 0.042 0.000 2.435 115 R HA 0.678 5.099 4.340 0.135 0.000 0.308 115 R C -1.608 174.711 176.300 0.032 0.000 0.975 115 R CA -0.438 55.683 56.100 0.035 0.000 0.867 115 R CB 1.383 31.700 30.300 0.027 0.000 1.171 115 R HN 0.487 nan 8.270 nan 0.000 0.470 116 V N 1.878 121.812 119.914 0.033 0.000 3.181 116 V HA 0.589 4.790 4.120 0.135 0.000 0.314 116 V C 0.184 176.295 176.094 0.027 0.000 1.173 116 V CA -1.323 60.995 62.300 0.029 0.000 1.052 116 V CB 1.426 33.266 31.823 0.029 0.000 1.123 116 V HN 0.556 nan 8.190 nan 0.000 0.454 117 L N 0.134 121.372 121.223 0.024 0.000 2.439 117 L HA 0.379 4.800 4.340 0.135 0.000 0.259 117 L C 1.499 178.385 176.870 0.025 0.000 1.129 117 L CA -0.171 54.684 54.840 0.023 0.000 0.803 117 L CB 1.314 43.385 42.059 0.019 0.000 1.161 117 L HN 0.797 nan 8.230 nan 0.000 0.462 118 S N -0.982 114.734 115.700 0.026 0.000 2.446 118 S HA -0.038 4.513 4.470 0.135 0.000 0.225 118 S C 0.627 175.240 174.600 0.022 0.000 1.016 118 S CA -0.025 58.192 58.200 0.028 0.000 0.943 118 S CB -0.013 63.206 63.200 0.032 0.000 0.786 118 S HN 0.686 nan 8.310 nan 0.000 0.508 119 S N 3.782 119.493 115.700 0.019 0.000 2.885 119 S HA -0.001 4.550 4.470 0.135 0.000 0.334 119 S C -1.602 173.006 174.600 0.014 0.000 1.224 119 S CA -0.549 57.660 58.200 0.015 0.000 1.080 119 S CB 0.078 63.286 63.200 0.013 0.000 0.801 119 S HN 0.228 nan 8.310 nan 0.000 0.510 120 P HA -0.224 nan 4.420 nan 0.000 0.216 120 P C 1.574 178.880 177.300 0.009 0.000 1.154 120 P CA 1.691 64.797 63.100 0.010 0.000 0.865 120 P CB 0.011 31.715 31.700 0.007 0.000 0.789 121 A N 0.940 123.765 122.820 0.009 0.000 1.849 121 A HA -0.258 4.143 4.320 0.135 0.000 0.217 121 A C 2.110 179.699 177.584 0.009 0.000 1.202 121 A CA 2.356 54.397 52.037 0.008 0.000 0.629 121 A CB -1.296 17.708 19.000 0.007 0.000 0.834 121 A HN 0.289 nan 8.150 nan 0.000 0.447 122 E N -0.152 120.054 120.200 0.011 0.000 2.285 122 E HA -0.163 4.268 4.350 0.135 0.000 0.194 122 E C 2.069 178.678 176.600 0.015 0.000 0.997 122 E CA 0.931 57.338 56.400 0.012 0.000 0.845 122 E CB -0.476 29.231 29.700 0.012 0.000 0.782 122 E HN 0.746 nan 8.360 nan 0.000 0.491 123 R N 1.581 122.091 120.500 0.016 0.000 2.070 123 R HA -0.130 4.291 4.340 0.135 0.000 0.233 123 R C 1.755 178.065 176.300 0.018 0.000 1.137 123 R CA 1.879 57.990 56.100 0.019 0.000 0.945 123 R CB -0.173 30.138 30.300 0.019 0.000 0.845 123 R HN 0.033 nan 8.270 nan 0.000 0.430 124 N N 0.316 119.024 118.700 0.014 0.000 2.205 124 N HA -0.107 4.714 4.740 0.135 0.000 0.186 124 N C 1.715 177.233 175.510 0.013 0.000 1.015 124 N CA 1.705 54.762 53.050 0.013 0.000 0.862 124 N CB -0.267 38.226 38.487 0.009 0.000 0.986 124 N HN 0.190 nan 8.380 nan 0.000 0.429 125 S N 0.015 115.722 115.700 0.012 0.000 2.402 125 S HA 0.032 4.583 4.470 0.135 0.000 0.229 125 S C 1.936 176.544 174.600 0.014 0.000 1.021 125 S CA 0.941 59.148 58.200 0.011 0.000 0.974 125 S CB -0.117 63.089 63.200 0.009 0.000 0.800 125 S HN 0.520 nan 8.310 nan 0.000 0.484 126 A N 1.135 123.966 122.820 0.018 0.000 1.903 126 A HA 0.218 4.618 4.320 0.135 0.000 0.213 126 A C 2.033 179.633 177.584 0.027 0.000 1.185 126 A CA 0.547 52.598 52.037 0.023 0.000 0.628 126 A CB -0.534 18.483 19.000 0.027 0.000 0.830 126 A HN 0.404 nan 8.150 nan 0.000 0.446 127 L N -0.412 120.827 121.223 0.026 0.000 2.012 127 L HA -0.189 4.232 4.340 0.135 0.000 0.210 127 L C 2.795 179.680 176.870 0.024 0.000 1.073 127 L CA 1.839 56.695 54.840 0.028 0.000 0.748 127 L CB -1.045 41.029 42.059 0.025 0.000 0.891 127 L HN 0.336 nan 8.230 nan 0.000 0.431 128 T N 0.381 114.946 114.554 0.020 0.000 2.653 128 T HA -0.251 4.180 4.350 0.135 0.000 0.268 128 T C 1.853 176.563 174.700 0.017 0.000 1.035 128 T CA 1.845 63.956 62.100 0.018 0.000 1.154 128 T CB -0.320 68.555 68.868 0.012 0.000 0.862 128 T HN 0.204 nan 8.240 nan 0.000 0.441 129 I N 0.521 121.099 120.570 0.014 0.000 2.142 129 I HA -0.120 4.131 4.170 0.135 0.000 0.240 129 I C 2.477 178.599 176.117 0.008 0.000 1.078 129 I CA 1.108 62.414 61.300 0.010 0.000 1.343 129 I CB -0.413 37.594 38.000 0.012 0.000 1.046 129 I HN 0.192 nan 8.210 nan 0.000 0.405 130 L N 1.118 122.353 121.223 0.020 0.000 2.079 130 L HA -0.256 4.165 4.340 0.135 0.000 0.210 130 L C 2.830 179.695 176.870 -0.007 0.000 1.081 130 L CA 1.547 56.399 54.840 0.020 0.000 0.752 130 L CB -0.447 41.642 42.059 0.050 0.000 0.896 130 L HN 0.309 nan 8.230 nan 0.000 0.433 131 R N -0.266 120.240 120.500 0.011 0.000 2.092 131 R HA -0.193 4.228 4.340 0.135 0.000 0.231 131 R C 1.560 177.869 176.300 0.015 0.000 1.119 131 R CA 1.945 58.056 56.100 0.018 0.000 0.970 131 R CB -0.194 30.127 30.300 0.036 0.000 0.864 131 R HN 0.370 nan 8.270 nan 0.000 0.440 132 D N 0.276 120.691 120.400 0.024 0.000 2.234 132 D HA -0.023 4.698 4.640 0.135 0.000 0.205 132 D C 1.863 178.143 176.300 -0.033 0.000 0.962 132 D CA 0.725 54.756 54.000 0.052 0.000 0.855 132 D CB 0.064 40.885 40.800 0.034 0.000 0.951 132 D HN 0.307 nan 8.370 nan 0.000 0.500 133 I N 0.193 120.710 120.570 -0.088 0.000 2.233 133 I HA -0.188 4.063 4.170 0.135 0.000 0.243 133 I C 2.249 178.187 176.117 -0.299 0.000 1.093 133 I CA 0.681 61.873 61.300 -0.181 0.000 1.380 133 I CB -0.029 37.891 38.000 -0.133 0.000 1.067 133 I HN -0.038 nan 8.210 nan 0.000 0.413 134 L N 0.196 121.255 121.223 -0.273 0.000 2.093 134 L HA -0.141 4.279 4.340 0.135 0.000 0.208 134 L C 2.509 179.283 176.870 -0.160 0.000 1.085 134 L CA 1.329 55.990 54.840 -0.297 0.000 0.755 134 L CB -0.527 41.456 42.059 -0.127 0.000 0.904 134 L HN 0.261 nan 8.230 nan 0.000 0.435 135 A N -2.296 120.417 122.820 -0.179 0.000 2.085 135 A HA 0.062 4.463 4.320 0.135 0.000 0.208 135 A C 0.927 178.146 177.584 -0.609 0.000 1.191 135 A CA 0.225 52.051 52.037 -0.353 0.000 0.799 135 A CB 0.138 18.889 19.000 -0.416 0.000 0.877 135 A HN 0.427 nan 8.150 nan 0.000 0.473 136 H N -0.134 118.896 119.070 -0.066 0.000 2.825 136 H HA 0.213 4.851 4.556 0.136 0.000 0.226 136 H C -2.943 172.233 175.328 -0.253 0.000 1.414 136 H CA -1.653 54.329 56.048 -0.110 0.000 1.198 136 H CB 0.012 29.736 29.762 -0.064 0.000 2.013 136 H HN 0.334 nan 8.280 nan 0.000 0.530 137 P HA -0.005 nan 4.420 nan 0.000 0.269 137 P C 1.154 178.146 177.300 -0.514 0.000 1.209 137 P CA 0.233 62.941 63.100 -0.654 0.000 0.776 137 P CB 1.341 32.289 31.700 -1.254 0.000 0.876 138 T N -2.279 112.024 114.554 -0.418 0.000 3.001 138 T HA 0.178 4.608 4.350 0.135 0.000 0.251 138 T C 0.437 175.128 174.700 -0.015 0.000 1.040 138 T CA -0.259 61.750 62.100 -0.151 0.000 0.985 138 T CB -0.817 68.002 68.868 -0.083 0.000 1.011 138 T HN 0.174 nan 8.240 nan 0.000 0.509 139 F N 1.523 121.426 119.950 -0.078 0.000 2.635 139 F HA -0.079 4.529 4.527 0.134 0.000 0.228 139 F C -2.358 173.423 175.800 -0.032 0.000 1.029 139 F CA -0.836 57.131 58.000 -0.054 0.000 0.907 139 F CB -2.027 36.941 39.000 -0.053 0.000 0.893 139 F HN 0.199 nan 8.300 nan 0.000 0.845 140 P HA 0.171 nan 4.420 nan 0.000 0.265 140 P C 0.767 178.107 177.300 0.067 0.000 1.193 140 P CA 0.812 63.946 63.100 0.056 0.000 0.765 140 P CB 1.095 32.807 31.700 0.020 0.000 0.823 141 A N 6.424 129.274 122.820 0.050 0.000 1.865 141 A HA -0.144 4.257 4.320 0.135 0.000 0.217 141 A C -0.406 177.195 177.584 0.028 0.000 1.191 141 A CA 1.912 53.971 52.037 0.037 0.000 0.623 141 A CB -2.457 16.558 19.000 0.024 0.000 0.826 141 A HN 0.466 nan 8.150 nan 0.000 0.444 142 P HA -0.121 nan 4.420 nan 0.000 0.216 142 P C 1.516 178.827 177.300 0.018 0.000 1.150 142 P CA 1.544 64.653 63.100 0.015 0.000 0.843 142 P CB -0.161 31.545 31.700 0.011 0.000 0.787 143 V N -0.784 119.145 119.914 0.025 0.000 2.548 143 V HA -0.163 4.037 4.120 0.135 0.000 0.249 143 V C 2.328 178.445 176.094 0.037 0.000 1.055 143 V CA 1.234 63.550 62.300 0.028 0.000 1.065 143 V CB -1.196 30.644 31.823 0.027 0.000 0.681 143 V HN 0.063 nan 8.190 nan 0.000 0.462 144 L N 0.203 121.454 121.223 0.048 0.000 2.093 144 L HA -0.044 4.377 4.340 0.135 0.000 0.208 144 L C 2.386 179.269 176.870 0.021 0.000 1.085 144 L CA 1.871 56.737 54.840 0.043 0.000 0.755 144 L CB -0.701 41.385 42.059 0.044 0.000 0.904 144 L HN 0.199 nan 8.230 nan 0.000 0.435 145 E N 0.005 120.214 120.200 0.016 0.000 2.106 145 E HA -0.224 4.207 4.350 0.135 0.000 0.192 145 E C 2.315 178.919 176.600 0.006 0.000 0.984 145 E CA 1.061 57.466 56.400 0.008 0.000 0.806 145 E CB -0.309 29.395 29.700 0.006 0.000 0.750 145 E HN 0.546 nan 8.360 nan 0.000 0.458 146 R N 0.814 121.319 120.500 0.008 0.000 2.148 146 R HA -0.101 4.320 4.340 0.135 0.000 0.227 146 R C 1.685 177.988 176.300 0.006 0.000 1.103 146 R CA 1.003 57.106 56.100 0.006 0.000 0.983 146 R CB 0.228 30.532 30.300 0.007 0.000 0.874 146 R HN -0.059 nan 8.270 nan 0.000 0.451 147 E N 0.531 120.737 120.200 0.010 0.000 2.318 147 E HA -0.078 4.353 4.350 0.135 0.000 0.193 147 E C 1.895 178.497 176.600 0.003 0.000 0.998 147 E CA 0.598 57.004 56.400 0.010 0.000 0.859 147 E CB 0.173 29.885 29.700 0.020 0.000 0.812 147 E HN 0.510 nan 8.360 nan 0.000 0.492 148 R N 0.524 121.024 120.500 0.001 0.000 2.090 148 R HA 0.147 4.567 4.340 0.135 0.000 0.228 148 R C 2.237 178.533 176.300 -0.006 0.000 1.110 148 R CA 1.078 57.175 56.100 -0.005 0.000 0.973 148 R CB -0.576 29.718 30.300 -0.009 0.000 0.869 148 R HN -0.014 nan 8.270 nan 0.000 0.440 149 A N 2.071 124.888 122.820 -0.004 0.000 1.917 149 A HA -0.161 4.240 4.320 0.135 0.000 0.219 149 A C 2.314 179.894 177.584 -0.006 0.000 1.182 149 A CA 1.397 53.431 52.037 -0.005 0.000 0.633 149 A CB -0.505 18.492 19.000 -0.004 0.000 0.819 149 A HN 0.256 nan 8.150 nan 0.000 0.448 150 R N -0.979 119.518 120.500 -0.005 0.000 2.066 150 R HA -0.077 4.344 4.340 0.135 0.000 0.232 150 R C 2.452 178.747 176.300 -0.008 0.000 1.131 150 R CA 1.316 57.412 56.100 -0.006 0.000 0.955 150 R CB -0.498 29.800 30.300 -0.005 0.000 0.851 150 R HN 0.516 nan 8.270 nan 0.000 0.432 151 A N 0.889 123.704 122.820 -0.008 0.000 2.067 151 A HA -0.081 4.320 4.320 0.135 0.000 0.219 151 A C 1.958 179.534 177.584 -0.012 0.000 1.158 151 A CA 0.871 52.902 52.037 -0.011 0.000 0.661 151 A CB -0.209 18.785 19.000 -0.010 0.000 0.801 151 A HN 0.106 nan 8.150 nan 0.000 0.452 152 I N -0.418 120.145 120.570 -0.012 0.000 2.270 152 I HA -0.111 4.140 4.170 0.135 0.000 0.239 152 I C 2.964 179.073 176.117 -0.012 0.000 1.080 152 I CA 1.328 62.620 61.300 -0.012 0.000 1.383 152 I CB -1.616 36.377 38.000 -0.012 0.000 1.097 152 I HN 0.331 nan 8.210 nan 0.000 0.420 153 A N 0.971 123.784 122.820 -0.011 0.000 1.917 153 A HA -0.163 4.238 4.320 0.135 0.000 0.219 153 A C 2.384 179.960 177.584 -0.013 0.000 1.182 153 A CA 2.096 54.127 52.037 -0.011 0.000 0.633 153 A CB -1.371 17.623 19.000 -0.010 0.000 0.819 153 A HN 0.473 nan 8.150 nan 0.000 0.448 154 G N -1.067 107.725 108.800 -0.013 0.000 2.484 154 G HA2 0.030 4.071 3.960 0.135 0.000 0.218 154 G HA3 0.030 4.071 3.960 0.135 0.000 0.218 154 G C 1.485 176.375 174.900 -0.018 0.000 1.130 154 G CA 0.895 45.986 45.100 -0.016 0.000 0.784 154 G HN 0.471 nan 8.290 nan 0.000 0.543 155 L N -0.397 120.816 121.223 -0.016 0.000 2.202 155 L HA 0.258 4.679 4.340 0.135 0.000 0.205 155 L C 2.992 179.852 176.870 -0.017 0.000 1.083 155 L CA 0.517 55.347 54.840 -0.017 0.000 0.790 155 L CB -0.067 41.983 42.059 -0.015 0.000 0.942 155 L HN 0.036 nan 8.230 nan 0.000 0.452 156 R N -0.194 120.297 120.500 -0.016 0.000 2.081 156 R HA -0.231 4.190 4.340 0.135 0.000 0.235 156 R C 2.109 178.398 176.300 -0.017 0.000 1.131 156 R CA 1.627 57.718 56.100 -0.015 0.000 0.960 156 R CB -0.409 29.883 30.300 -0.013 0.000 0.856 156 R HN 0.370 nan 8.270 nan 0.000 0.436 157 E N 1.279 121.468 120.200 -0.018 0.000 2.058 157 E HA -0.197 4.234 4.350 0.135 0.000 0.194 157 E C 1.798 178.383 176.600 -0.025 0.000 0.997 157 E CA 1.887 58.275 56.400 -0.020 0.000 0.801 157 E CB -0.170 29.520 29.700 -0.018 0.000 0.746 157 E HN 0.319 nan 8.360 nan 0.000 0.450 158 A N 0.321 123.125 122.820 -0.027 0.000 1.897 158 A HA -0.137 4.264 4.320 0.135 0.000 0.215 158 A C 2.161 179.722 177.584 -0.038 0.000 1.181 158 A CA 1.376 53.393 52.037 -0.034 0.000 0.620 158 A CB -0.547 18.433 19.000 -0.033 0.000 0.821 158 A HN 0.370 nan 8.150 nan 0.000 0.443 159 Q N -0.997 118.785 119.800 -0.029 0.000 2.368 159 Q HA -0.132 4.289 4.340 0.135 0.000 0.210 159 Q C 1.221 177.203 176.000 -0.030 0.000 0.982 159 Q CA 1.439 57.225 55.803 -0.027 0.000 0.884 159 Q CB -0.299 28.427 28.738 -0.020 0.000 0.933 159 Q HN 0.561 nan 8.270 nan 0.000 0.460 160 T N 0.192 114.727 114.554 -0.031 0.000 3.235 160 T HA 0.074 4.505 4.350 0.135 0.000 0.251 160 T C -0.294 174.381 174.700 -0.041 0.000 1.060 160 T CA 0.005 62.087 62.100 -0.030 0.000 0.949 160 T CB 0.080 68.934 68.868 -0.023 0.000 1.020 160 T HN 0.147 nan 8.240 nan 0.000 0.564 161 Q N 0.548 120.313 119.800 -0.059 0.000 2.347 161 Q HA 0.289 4.710 4.340 0.135 0.000 0.271 161 Q C -2.189 173.730 176.000 -0.135 0.000 1.064 161 Q CA -2.146 53.603 55.803 -0.090 0.000 0.800 161 Q CB 2.480 31.163 28.738 -0.093 0.000 1.304 161 Q HN -0.013 nan 8.270 nan 0.000 0.438 162 P HA -0.201 nan 4.420 nan 0.000 0.214 162 P C 1.175 178.253 177.300 -0.371 0.000 1.163 162 P CA 1.715 64.665 63.100 -0.251 0.000 0.889 162 P CB 0.158 31.699 31.700 -0.265 0.000 0.790 163 G N -0.897 107.540 108.800 -0.605 0.000 2.418 163 G HA2 -0.238 3.803 3.960 0.135 0.000 0.217 163 G HA3 -0.238 3.803 3.960 0.135 0.000 0.217 163 G C 1.692 176.475 174.900 -0.195 0.000 1.158 163 G CA 1.031 45.872 45.100 -0.432 0.000 0.771 163 G HN 0.206 nan 8.290 nan 0.000 0.545 164 S N 0.401 116.007 115.700 -0.157 0.000 2.368 164 S HA -0.009 4.542 4.470 0.135 0.000 0.224 164 S C 2.266 176.829 174.600 -0.061 0.000 1.029 164 S CA 0.846 58.993 58.200 -0.088 0.000 0.988 164 S CB -0.168 62.989 63.200 -0.072 0.000 0.838 164 S HN 0.389 nan 8.310 nan 0.000 0.462 165 I N 1.116 121.643 120.570 -0.071 0.000 2.286 165 I HA -0.107 4.143 4.170 0.135 0.000 0.245 165 I C 2.283 178.391 176.117 -0.014 0.000 1.104 165 I CA 0.703 61.981 61.300 -0.037 0.000 1.397 165 I CB -0.279 37.697 38.000 -0.039 0.000 1.072 165 I HN 0.222 nan 8.210 nan 0.000 0.417 166 L N 0.857 122.057 121.223 -0.038 0.000 2.042 166 L HA -0.145 4.276 4.340 0.135 0.000 0.210 166 L C 2.413 179.310 176.870 0.045 0.000 1.076 166 L CA 2.035 56.874 54.840 -0.002 0.000 0.749 166 L CB -0.687 41.344 42.059 -0.048 0.000 0.893 166 L HN 0.246 nan 8.230 nan 0.000 0.432 167 G N -0.839 107.964 108.800 0.005 0.000 2.418 167 G HA2 -0.240 3.801 3.960 0.135 0.000 0.217 167 G HA3 -0.240 3.801 3.960 0.135 0.000 0.217 167 G C 1.678 176.641 174.900 0.105 0.000 1.158 167 G CA 0.623 45.749 45.100 0.043 0.000 0.771 167 G HN 0.308 nan 8.290 nan 0.000 0.545 168 R N -0.461 120.078 120.500 0.065 0.000 2.083 168 R HA -0.000 4.420 4.340 0.135 0.000 0.237 168 R C 2.728 179.083 176.300 0.092 0.000 1.137 168 R CA 1.031 57.172 56.100 0.068 0.000 0.951 168 R CB -0.220 30.100 30.300 0.034 0.000 0.851 168 R HN 0.114 nan 8.270 nan 0.000 0.434 169 R N -0.175 120.381 120.500 0.093 0.000 2.093 169 R HA -0.063 4.358 4.340 0.135 0.000 0.224 169 R C 2.058 178.425 176.300 0.112 0.000 1.101 169 R CA 0.946 57.097 56.100 0.085 0.000 0.979 169 R CB -0.525 29.817 30.300 0.069 0.000 0.877 169 R HN 0.152 nan 8.270 nan 0.000 0.441 170 F N 1.437 121.396 119.950 0.015 0.000 2.046 170 F HA -0.275 4.311 4.527 0.097 0.000 0.297 170 F C 2.371 178.194 175.800 0.039 0.000 1.123 170 F CA 2.506 60.514 58.000 0.013 0.000 1.199 170 F CB -0.563 38.439 39.000 0.002 0.000 0.972 170 F HN 0.108 nan 8.300 nan 0.000 0.474 171 T N -2.352 112.345 114.554 0.238 0.000 2.867 171 T HA -0.167 4.264 4.350 0.135 0.000 0.268 171 T C 1.798 176.608 174.700 0.184 0.000 1.057 171 T CA 1.405 63.658 62.100 0.255 0.000 1.136 171 T CB -0.637 68.433 68.868 0.337 0.000 0.874 171 T HN 0.399 nan 8.240 nan 0.000 0.466 172 E N 0.979 121.250 120.200 0.117 0.000 2.058 172 E HA -0.065 4.366 4.350 0.135 0.000 0.194 172 E C 2.125 178.743 176.600 0.030 0.000 0.997 172 E CA 1.211 57.663 56.400 0.087 0.000 0.801 172 E CB -0.297 29.439 29.700 0.059 0.000 0.746 172 E HN 0.503 nan 8.360 nan 0.000 0.450 173 L N 0.047 121.239 121.223 -0.052 0.000 2.179 173 L HA -0.076 4.345 4.340 0.135 0.000 0.208 173 L C 2.448 179.209 176.870 -0.182 0.000 1.096 173 L CA 0.611 55.386 54.840 -0.109 0.000 0.779 173 L CB -0.325 41.647 42.059 -0.146 0.000 0.922 173 L HN 0.120 nan 8.230 nan 0.000 0.443 174 A N -0.075 122.569 122.820 -0.293 0.000 1.828 174 A HA -0.219 4.182 4.320 0.135 0.000 0.215 174 A C 1.935 179.282 177.584 -0.394 0.000 1.203 174 A CA 1.750 53.501 52.037 -0.477 0.000 0.614 174 A CB -0.839 17.727 19.000 -0.722 0.000 0.844 174 A HN 0.358 nan 8.150 nan 0.000 0.445 175 Y N -1.152 119.154 120.300 0.010 0.000 2.436 175 Y HA 0.338 5.011 4.550 0.205 0.000 0.288 175 Y C 2.184 178.142 175.900 0.097 0.000 1.112 175 Y CA 0.288 58.432 58.100 0.073 0.000 1.220 175 Y CB -0.552 38.022 38.460 0.189 0.000 1.073 175 Y HN 0.603 nan 8.280 nan 0.000 0.552 176 G N 1.069 109.994 108.800 0.207 0.000 2.620 176 G HA2 -0.415 3.626 3.960 0.135 0.000 0.315 176 G HA3 -0.415 3.626 3.960 0.135 0.000 0.315 176 G C 1.097 176.102 174.900 0.175 0.000 1.179 176 G CA 0.800 45.986 45.100 0.144 0.000 0.971 176 G HN 0.355 nan 8.290 nan 0.000 0.544 177 K N 1.207 121.697 120.400 0.150 0.000 2.487 177 K HA 0.113 4.514 4.320 0.135 0.000 0.192 177 K C 0.889 177.583 176.600 0.157 0.000 1.027 177 K CA 0.403 56.767 56.287 0.128 0.000 1.054 177 K CB 0.146 32.697 32.500 0.084 0.000 0.824 177 K HN 0.654 nan 8.250 nan 0.000 0.510 178 H N 1.174 120.314 119.070 0.117 0.000 2.683 178 H HA 0.052 4.659 4.556 0.085 0.000 0.339 178 H C -1.849 173.479 175.328 0.001 0.000 1.081 178 H CA -1.556 54.528 56.048 0.059 0.000 1.432 178 H CB 1.292 31.124 29.762 0.117 0.000 1.462 178 H HN -0.198 nan 8.280 nan 0.000 0.557 179 P HA -0.280 nan 4.420 nan 0.000 0.219 179 P C 0.578 177.626 177.300 -0.421 0.000 1.153 179 P CA 1.535 64.230 63.100 -0.676 0.000 0.865 179 P CB -0.028 31.168 31.700 -0.841 0.000 0.788 180 Y N -1.386 118.781 120.300 -0.221 0.000 2.639 180 Y HA 0.127 4.697 4.550 0.034 0.000 0.297 180 Y C 2.255 177.963 175.900 -0.321 0.000 1.151 180 Y CA 0.648 58.489 58.100 -0.431 0.000 1.335 180 Y CB -1.257 36.581 38.460 -1.037 0.000 0.994 180 Y HN -0.039 nan 8.280 nan 0.000 0.548 181 G N -1.921 106.963 108.800 0.141 0.000 3.690 181 G HA2 0.024 4.065 3.960 0.135 0.000 0.283 181 G HA3 0.024 4.065 3.960 0.135 0.000 0.283 181 G C -0.472 174.596 174.900 0.281 0.000 1.057 181 G CA -0.286 44.988 45.100 0.290 0.000 0.821 181 G HN 0.175 nan 8.290 nan 0.000 0.526 182 H N 0.329 119.431 119.070 0.052 0.000 2.928 182 H HA 0.380 5.005 4.556 0.114 0.000 0.338 182 H C -0.105 175.241 175.328 0.030 0.000 1.047 182 H CA 0.013 56.073 56.048 0.020 0.000 1.435 182 H CB 1.352 31.105 29.762 -0.014 0.000 1.428 182 H HN -0.015 nan 8.280 nan 0.000 0.590 183 V N 2.292 122.259 119.914 0.089 0.000 2.668 183 V HA 0.246 4.447 4.120 0.135 0.000 0.304 183 V C -0.231 175.869 176.094 0.011 0.000 1.071 183 V CA -1.155 61.179 62.300 0.057 0.000 0.894 183 V CB 1.813 33.671 31.823 0.059 0.000 1.008 183 V HN 0.880 nan 8.190 nan 0.000 0.425 184 S N 2.884 118.590 115.700 0.009 0.000 2.545 184 S HA 0.725 5.276 4.470 0.135 0.000 0.275 184 S C 0.273 174.865 174.600 -0.013 0.000 1.299 184 S CA -0.021 58.173 58.200 -0.011 0.000 1.048 184 S CB 1.420 64.614 63.200 -0.010 0.000 0.938 184 S HN 1.201 nan 8.310 nan 0.000 0.496 185 S N 1.971 117.658 115.700 -0.021 0.000 2.786 185 S HA 0.471 5.022 4.470 0.135 0.000 0.302 185 S C 0.937 175.524 174.600 -0.020 0.000 1.080 185 S CA -0.245 57.944 58.200 -0.018 0.000 0.925 185 S CB 0.510 63.698 63.200 -0.020 0.000 1.325 185 S HN 0.813 nan 8.310 nan 0.000 0.576 186 V N 0.723 120.626 119.914 -0.018 0.000 2.453 186 V HA 0.086 4.287 4.120 0.135 0.000 0.247 186 V C 2.553 178.634 176.094 -0.021 0.000 1.048 186 V CA 2.224 64.513 62.300 -0.018 0.000 1.049 186 V CB -0.966 30.848 31.823 -0.015 0.000 0.672 186 V HN 0.932 nan 8.190 nan 0.000 0.457 187 A N 0.041 122.847 122.820 -0.023 0.000 1.898 187 A HA -0.125 4.276 4.320 0.135 0.000 0.214 187 A C 2.409 179.973 177.584 -0.033 0.000 1.183 187 A CA 2.044 54.065 52.037 -0.026 0.000 0.622 187 A CB -1.026 17.959 19.000 -0.025 0.000 0.824 187 A HN 0.672 nan 8.150 nan 0.000 0.444 188 T N -2.270 112.261 114.554 -0.038 0.000 2.915 188 T HA -0.042 4.388 4.350 0.135 0.000 0.269 188 T C 1.532 176.204 174.700 -0.046 0.000 1.071 188 T CA 1.427 63.497 62.100 -0.049 0.000 1.132 188 T CB -0.231 68.601 68.868 -0.059 0.000 0.878 188 T HN 0.088 nan 8.240 nan 0.000 0.479 189 L N 0.586 121.787 121.223 -0.036 0.000 2.249 189 L HA 0.276 4.697 4.340 0.135 0.000 0.207 189 L C 2.818 179.670 176.870 -0.029 0.000 1.090 189 L CA 1.248 56.068 54.840 -0.033 0.000 0.802 189 L CB -0.632 41.411 42.059 -0.026 0.000 0.947 189 L HN 0.247 nan 8.230 nan 0.000 0.453 190 Q N -0.961 118.822 119.800 -0.027 0.000 2.172 190 Q HA -0.213 4.208 4.340 0.135 0.000 0.200 190 Q C 1.962 177.945 176.000 -0.027 0.000 0.964 190 Q CA 1.008 56.797 55.803 -0.024 0.000 0.855 190 Q CB 0.058 28.784 28.738 -0.020 0.000 0.918 190 Q HN 0.175 nan 8.270 nan 0.000 0.444 191 K N 0.519 120.900 120.400 -0.033 0.000 2.211 191 K HA -0.055 4.346 4.320 0.135 0.000 0.204 191 K C 0.338 176.914 176.600 -0.040 0.000 1.047 191 K CA 0.649 56.914 56.287 -0.036 0.000 0.935 191 K CB -0.013 32.462 32.500 -0.043 0.000 0.728 191 K HN 0.144 nan 8.250 nan 0.000 0.452 192 I N 1.056 121.599 120.570 -0.044 0.000 2.634 192 I HA -0.031 4.220 4.170 0.135 0.000 0.284 192 I C 0.247 176.336 176.117 -0.046 0.000 1.124 192 I CA -0.052 61.216 61.300 -0.053 0.000 1.417 192 I CB 0.892 38.856 38.000 -0.059 0.000 1.396 192 I HN 0.137 nan 8.210 nan 0.000 0.571 193 S N 4.945 120.611 115.700 -0.056 0.000 2.625 193 S HA 0.412 4.963 4.470 0.135 0.000 0.271 193 S C 0.309 174.864 174.600 -0.075 0.000 1.161 193 S CA -1.027 57.143 58.200 -0.050 0.000 0.820 193 S CB 2.031 65.210 63.200 -0.036 0.000 1.137 193 S HN 0.648 nan 8.310 nan 0.000 0.470 194 R N 0.785 121.247 120.500 -0.063 0.000 2.096 194 R HA -0.127 4.294 4.340 0.135 0.000 0.235 194 R C 1.523 177.753 176.300 -0.117 0.000 1.127 194 R CA 2.280 58.324 56.100 -0.092 0.000 0.968 194 R CB -0.630 29.653 30.300 -0.028 0.000 0.861 194 R HN 0.867 nan 8.270 nan 0.000 0.440 195 D N 0.321 120.683 120.400 -0.063 0.000 2.116 195 D HA -0.258 4.463 4.640 0.135 0.000 0.193 195 D C 1.551 177.820 176.300 -0.051 0.000 0.998 195 D CA 1.582 55.557 54.000 -0.042 0.000 0.836 195 D CB -0.672 40.117 40.800 -0.018 0.000 0.951 195 D HN 0.417 nan 8.370 nan 0.000 0.449 196 Q N 0.141 119.903 119.800 -0.064 0.000 2.119 196 Q HA 0.016 4.437 4.340 0.135 0.000 0.201 196 Q C 2.772 178.733 176.000 -0.065 0.000 0.972 196 Q CA 0.717 56.494 55.803 -0.043 0.000 0.847 196 Q CB -0.123 28.580 28.738 -0.058 0.000 0.903 196 Q HN 0.374 nan 8.270 nan 0.000 0.433 197 L N 0.250 121.341 121.223 -0.221 0.000 2.005 197 L HA -0.156 4.265 4.340 0.135 0.000 0.207 197 L C 2.451 179.033 176.870 -0.480 0.000 1.072 197 L CA 0.853 55.419 54.840 -0.456 0.000 0.744 197 L CB -0.810 40.703 42.059 -0.911 0.000 0.895 197 L HN 0.047 nan 8.230 nan 0.000 0.433 198 V N -0.494 119.156 119.914 -0.441 0.000 2.392 198 V HA -0.282 3.919 4.120 0.135 0.000 0.249 198 V C 2.592 178.735 176.094 0.082 0.000 1.059 198 V CA 2.061 64.297 62.300 -0.106 0.000 1.051 198 V CB -0.548 31.275 31.823 0.001 0.000 0.658 198 V HN 0.369 nan 8.190 nan 0.000 0.455 199 S N -0.494 115.246 115.700 0.067 0.000 2.335 199 S HA -0.113 4.438 4.470 0.135 0.000 0.217 199 S C 1.775 176.504 174.600 0.215 0.000 1.032 199 S CA 1.407 59.682 58.200 0.124 0.000 0.985 199 S CB -0.485 62.776 63.200 0.102 0.000 0.896 199 S HN 0.534 nan 8.310 nan 0.000 0.445 200 F N 2.254 122.271 119.950 0.111 0.000 2.115 200 F HA -0.267 4.342 4.527 0.137 0.000 0.300 200 F C 2.247 178.252 175.800 0.343 0.000 1.092 200 F CA 2.216 60.347 58.000 0.218 0.000 1.245 200 F CB -0.708 38.343 39.000 0.085 0.000 0.995 200 F HN 0.348 nan 8.300 nan 0.000 0.481 201 H N -0.179 119.033 119.070 0.237 0.000 2.293 201 H HA -0.145 4.492 4.556 0.133 0.000 0.300 201 H C 2.619 178.015 175.328 0.113 0.000 1.082 201 H CA 2.346 58.526 56.048 0.221 0.000 1.308 201 H CB -0.380 29.504 29.762 0.204 0.000 1.375 201 H HN 0.219 nan 8.280 nan 0.000 0.495 202 R N -0.437 120.119 120.500 0.093 0.000 2.103 202 R HA -0.137 4.284 4.340 0.135 0.000 0.242 202 R C 1.901 178.122 176.300 -0.131 0.000 1.142 202 R CA 2.226 58.317 56.100 -0.015 0.000 0.960 202 R CB -0.322 30.013 30.300 0.057 0.000 0.858 202 R HN 0.640 nan 8.270 nan 0.000 0.439 203 T N -3.282 111.184 114.554 -0.147 0.000 3.057 203 T HA 0.063 4.494 4.350 0.135 0.000 0.254 203 T C 1.403 175.743 174.700 -0.600 0.000 1.094 203 T CA 0.440 62.342 62.100 -0.330 0.000 1.088 203 T CB 0.020 68.690 68.868 -0.329 0.000 0.934 203 T HN 0.374 nan 8.240 nan 0.000 0.497 204 H N -1.061 117.776 119.070 -0.388 0.000 2.800 204 H HA 0.219 4.859 4.556 0.140 0.000 0.257 204 H C -0.366 174.607 175.328 -0.591 0.000 0.967 204 H CA -0.218 55.518 56.048 -0.520 0.000 1.192 204 H CB 0.356 29.585 29.762 -0.888 0.000 1.441 204 H HN 0.363 nan 8.280 nan 0.000 0.461 205 Y N 1.957 121.946 120.300 -0.518 0.000 2.613 205 Y HA 0.294 4.924 4.550 0.134 0.000 0.354 205 Y C -0.120 175.489 175.900 -0.485 0.000 1.063 205 Y CA -0.046 57.572 58.100 -0.803 0.000 1.384 205 Y CB 0.518 38.306 38.460 -1.120 0.000 1.199 205 Y HN -0.183 nan 8.280 nan 0.000 0.517 206 V N 2.038 121.902 119.914 -0.084 0.000 2.817 206 V HA 0.335 4.535 4.120 0.135 0.000 0.303 206 V C 0.503 176.696 176.094 0.165 0.000 1.151 206 V CA -0.592 61.713 62.300 0.008 0.000 0.929 206 V CB 1.921 33.700 31.823 -0.074 0.000 1.030 206 V HN 0.732 nan 8.190 nan 0.000 0.427 207 A N 4.670 127.550 122.820 0.100 0.000 1.933 207 A HA -0.075 4.326 4.320 0.135 0.000 0.218 207 A C 1.886 179.493 177.584 0.037 0.000 1.175 207 A CA 1.345 53.432 52.037 0.083 0.000 0.628 207 A CB -0.252 18.774 19.000 0.043 0.000 0.814 207 A HN 0.746 nan 8.150 nan 0.000 0.444 208 R N -0.173 120.339 120.500 0.020 0.000 2.237 208 R HA -0.065 4.356 4.340 0.135 0.000 0.219 208 R C 1.558 177.856 176.300 -0.002 0.000 1.080 208 R CA 1.628 57.728 56.100 0.000 0.000 0.995 208 R CB -0.789 29.504 30.300 -0.011 0.000 0.875 208 R HN 0.746 nan 8.270 nan 0.000 0.462 209 T N -3.056 111.511 114.554 0.021 0.000 3.054 209 T HA 0.376 4.807 4.350 0.135 0.000 0.255 209 T C 0.686 175.400 174.700 0.024 0.000 1.035 209 T CA -0.147 61.968 62.100 0.025 0.000 0.941 209 T CB 0.452 69.349 68.868 0.049 0.000 1.026 209 T HN 0.092 nan 8.240 nan 0.000 0.533 210 A N 1.561 124.364 122.820 -0.028 0.000 2.454 210 A HA 0.591 4.992 4.320 0.135 0.000 0.260 210 A C 0.009 177.472 177.584 -0.201 0.000 1.106 210 A CA -0.355 51.512 52.037 -0.283 0.000 0.780 210 A CB 0.147 18.994 19.000 -0.255 0.000 1.044 210 A HN 0.363 nan 8.150 nan 0.000 0.498 211 V N 4.397 124.178 119.914 -0.222 0.000 2.370 211 V HA 0.349 4.550 4.120 0.135 0.000 0.283 211 V C -0.178 175.837 176.094 -0.131 0.000 1.023 211 V CA -0.378 61.876 62.300 -0.076 0.000 0.857 211 V CB 1.468 33.327 31.823 0.060 0.000 0.985 211 V HN 0.623 nan 8.190 nan 0.000 0.443 212 V N 4.442 124.311 119.914 -0.075 0.000 2.417 212 V HA 0.527 4.728 4.120 0.135 0.000 0.291 212 V C 0.185 176.279 176.094 0.000 0.000 1.024 212 V CA -0.298 61.961 62.300 -0.069 0.000 0.861 212 V CB 1.983 33.750 31.823 -0.093 0.000 0.985 212 V HN 0.934 nan 8.190 nan 0.000 0.436 213 T N 6.380 120.945 114.554 0.018 0.000 2.829 213 T HA 0.814 5.245 4.350 0.135 0.000 0.280 213 T C -0.747 173.998 174.700 0.076 0.000 0.999 213 T CA -0.436 61.704 62.100 0.067 0.000 0.983 213 T CB 1.446 70.338 68.868 0.041 0.000 0.968 213 T HN 0.317 nan 8.240 nan 0.000 0.446 214 L N 2.452 123.757 121.223 0.138 0.000 2.409 214 L HA 0.743 5.163 4.340 0.135 0.000 0.272 214 L C -0.841 176.173 176.870 0.240 0.000 0.980 214 L CA -0.850 54.092 54.840 0.170 0.000 0.826 214 L CB 1.988 44.144 42.059 0.162 0.000 1.268 214 L HN 0.380 nan 8.230 nan 0.000 0.407 215 V N 1.964 121.978 119.914 0.166 0.000 2.525 215 V HA 1.013 5.214 4.120 0.135 0.000 0.299 215 V C 0.326 176.494 176.094 0.123 0.000 1.034 215 V CA 0.080 62.463 62.300 0.139 0.000 0.863 215 V CB 1.051 32.919 31.823 0.076 0.000 0.999 215 V HN 1.039 nan 8.190 nan 0.000 0.423 216 G N 3.989 112.873 108.800 0.140 0.000 2.332 216 G HA2 0.128 4.169 3.960 0.135 0.000 0.265 216 G HA3 0.128 4.169 3.960 0.135 0.000 0.265 216 G C -1.291 173.687 174.900 0.130 0.000 1.329 216 G CA -0.353 44.812 45.100 0.108 0.000 0.949 216 G HN 0.676 nan 8.290 nan 0.000 0.476 217 D N 0.358 120.814 120.400 0.095 0.000 2.545 217 D HA 0.502 5.222 4.640 0.135 0.000 0.227 217 D C -0.335 176.022 176.300 0.096 0.000 1.150 217 D CA 0.210 54.263 54.000 0.088 0.000 1.046 217 D CB -0.203 40.632 40.800 0.058 0.000 1.098 217 D HN 0.451 nan 8.370 nan 0.000 0.502 218 I N 1.403 122.059 120.570 0.143 0.000 2.752 218 I HA 0.251 4.501 4.170 0.135 0.000 0.295 218 I C 0.094 176.289 176.117 0.130 0.000 1.219 218 I CA -0.594 60.767 61.300 0.102 0.000 1.030 218 I CB 2.074 40.111 38.000 0.062 0.000 1.259 218 I HN 0.239 nan 8.210 nan 0.000 0.423 219 T N 2.696 117.271 114.554 0.036 0.000 2.847 219 T HA 0.385 4.816 4.350 0.135 0.000 0.279 219 T C 1.228 175.868 174.700 -0.101 0.000 0.984 219 T CA -0.342 61.785 62.100 0.045 0.000 0.988 219 T CB 1.184 70.062 68.868 0.016 0.000 1.040 219 T HN 0.562 nan 8.240 nan 0.000 0.528 220 R N 0.771 121.258 120.500 -0.021 0.000 2.082 220 R HA -0.109 4.312 4.340 0.135 0.000 0.234 220 R C 2.632 178.788 176.300 -0.239 0.000 1.136 220 R CA 2.065 58.075 56.100 -0.149 0.000 0.935 220 R CB -1.517 28.757 30.300 -0.044 0.000 0.842 220 R HN 0.899 nan 8.270 nan 0.000 0.430 221 A N 1.008 123.736 122.820 -0.153 0.000 1.986 221 A HA -0.205 4.196 4.320 0.135 0.000 0.220 221 A C 2.063 179.580 177.584 -0.112 0.000 1.171 221 A CA 1.827 53.784 52.037 -0.134 0.000 0.640 221 A CB -0.395 18.553 19.000 -0.087 0.000 0.811 221 A HN 0.525 nan 8.150 nan 0.000 0.451 222 E N -0.500 119.634 120.200 -0.110 0.000 2.046 222 E HA -0.046 4.385 4.350 0.135 0.000 0.190 222 E C 2.408 178.949 176.600 -0.098 0.000 0.982 222 E CA 0.802 57.151 56.400 -0.085 0.000 0.800 222 E CB -0.299 29.362 29.700 -0.065 0.000 0.756 222 E HN 0.610 nan 8.360 nan 0.000 0.449 223 A N 1.535 124.233 122.820 -0.204 0.000 1.940 223 A HA -0.273 4.127 4.320 0.135 0.000 0.219 223 A C 1.930 179.579 177.584 0.109 0.000 1.176 223 A CA 1.676 53.617 52.037 -0.160 0.000 0.631 223 A CB -0.492 18.175 19.000 -0.555 0.000 0.814 223 A HN 0.181 nan 8.150 nan 0.000 0.446 224 E N -0.900 119.351 120.200 0.084 0.000 2.077 224 E HA -0.151 4.279 4.350 0.135 0.000 0.193 224 E C 2.161 178.830 176.600 0.115 0.000 0.989 224 E CA 1.836 58.336 56.400 0.167 0.000 0.800 224 E CB -0.166 29.460 29.700 -0.124 0.000 0.746 224 E HN 0.857 nan 8.360 nan 0.000 0.452 225 T N -1.349 113.225 114.554 0.032 0.000 3.051 225 T HA 0.109 4.540 4.350 0.135 0.000 0.255 225 T C 1.929 176.645 174.700 0.026 0.000 1.085 225 T CA -0.017 62.098 62.100 0.024 0.000 1.109 225 T CB -0.100 68.769 68.868 0.000 0.000 0.921 225 T HN 0.002 nan 8.240 nan 0.000 0.488 226 I N 2.140 122.722 120.570 0.020 0.000 2.142 226 I HA -0.112 4.139 4.170 0.135 0.000 0.240 226 I C 3.134 179.267 176.117 0.027 0.000 1.078 226 I CA 1.397 62.708 61.300 0.018 0.000 1.343 226 I CB -0.503 37.502 38.000 0.007 0.000 1.046 226 I HN 0.302 nan 8.210 nan 0.000 0.405 227 A N -0.020 122.822 122.820 0.036 0.000 1.972 227 A HA -0.279 4.122 4.320 0.135 0.000 0.219 227 A C 2.196 179.795 177.584 0.026 0.000 1.169 227 A CA 1.996 54.043 52.037 0.018 0.000 0.635 227 A CB -0.558 18.439 19.000 -0.006 0.000 0.810 227 A HN 0.482 nan 8.150 nan 0.000 0.446 228 Q N -0.582 119.248 119.800 0.051 0.000 2.049 228 Q HA -0.143 4.278 4.340 0.135 0.000 0.198 228 Q C 2.045 178.065 176.000 0.034 0.000 0.971 228 Q CA 1.870 57.700 55.803 0.045 0.000 0.833 228 Q CB -0.344 28.426 28.738 0.054 0.000 0.896 228 Q HN 0.542 nan 8.270 nan 0.000 0.434 229 Q N 0.009 119.828 119.800 0.032 0.000 2.167 229 Q HA -0.027 4.394 4.340 0.135 0.000 0.202 229 Q C 2.170 178.191 176.000 0.035 0.000 0.970 229 Q CA 1.050 56.871 55.803 0.031 0.000 0.855 229 Q CB -0.200 28.554 28.738 0.026 0.000 0.911 229 Q HN 0.455 nan 8.270 nan 0.000 0.438 230 L N 0.286 121.530 121.223 0.034 0.000 2.191 230 L HA -0.123 4.298 4.340 0.135 0.000 0.212 230 L C 1.944 178.846 176.870 0.054 0.000 1.103 230 L CA 1.653 56.518 54.840 0.041 0.000 0.769 230 L CB -0.452 41.629 42.059 0.037 0.000 0.908 230 L HN 0.248 nan 8.230 nan 0.000 0.438 231 T N -5.114 109.467 114.554 0.046 0.000 3.044 231 T HA 0.340 4.771 4.350 0.135 0.000 0.260 231 T C 1.578 176.304 174.700 0.043 0.000 1.019 231 T CA 0.335 62.468 62.100 0.056 0.000 0.921 231 T CB 0.500 69.390 68.868 0.037 0.000 1.053 231 T HN 0.153 nan 8.240 nan 0.000 0.533 232 A N 2.070 124.913 122.820 0.038 0.000 2.014 232 A HA 0.054 4.455 4.320 0.135 0.000 0.218 232 A C 1.850 179.457 177.584 0.038 0.000 1.163 232 A CA 1.104 53.162 52.037 0.036 0.000 0.652 232 A CB -0.337 18.684 19.000 0.036 0.000 0.808 232 A HN 0.402 nan 8.150 nan 0.000 0.449 233 D N -0.370 120.055 120.400 0.041 0.000 2.346 233 D HA 0.150 4.871 4.640 0.135 0.000 0.206 233 D C 0.519 176.803 176.300 -0.026 0.000 1.001 233 D CA 0.092 54.120 54.000 0.048 0.000 0.871 233 D CB -0.115 40.758 40.800 0.122 0.000 0.943 233 D HN 0.383 nan 8.370 nan 0.000 0.518 234 L N 1.517 122.721 121.223 -0.031 0.000 2.461 234 L HA 0.099 4.519 4.340 0.135 0.000 0.272 234 L C -1.001 175.849 176.870 -0.034 0.000 1.197 234 L CA -1.284 53.524 54.840 -0.053 0.000 0.836 234 L CB 0.192 42.252 42.059 0.002 0.000 1.105 234 L HN -0.211 nan 8.230 nan 0.000 0.477 235 P HA -0.180 nan 4.420 nan 0.000 0.218 235 P C 0.392 177.674 177.300 -0.031 0.000 1.148 235 P CA 1.168 64.244 63.100 -0.040 0.000 0.822 235 P CB 0.097 31.759 31.700 -0.063 0.000 0.784 236 A N -1.371 121.431 122.820 -0.030 0.000 2.183 236 A HA -0.063 4.338 4.320 0.135 0.000 0.278 236 A C 1.288 178.854 177.584 -0.032 0.000 1.404 236 A CA 0.510 52.537 52.037 -0.017 0.000 0.737 236 A CB -1.915 17.084 19.000 -0.002 0.000 1.172 236 A HN 0.378 nan 8.150 nan 0.000 0.338 237 G N 0.228 108.996 108.800 -0.055 0.000 2.587 237 G HA2 0.610 4.651 3.960 0.135 0.000 0.197 237 G HA3 0.610 4.651 3.960 0.135 0.000 0.197 237 G C 0.696 175.565 174.900 -0.050 0.000 1.540 237 G CA 1.354 46.415 45.100 -0.065 0.000 0.910 237 G HN 2.487 nan 8.290 nan 0.000 0.437 238 A N -2.327 120.457 122.820 -0.060 0.000 2.604 238 A HA 0.624 5.025 4.320 0.135 0.000 0.295 238 A C -0.274 177.282 177.584 -0.045 0.000 1.067 238 A CA -0.349 51.661 52.037 -0.044 0.000 0.683 238 A CB 0.543 19.518 19.000 -0.042 0.000 1.281 238 A HN 0.611 nan 8.150 nan 0.000 0.407 239 T N 2.034 116.568 114.554 -0.032 0.000 2.908 239 T HA 0.324 4.755 4.350 0.135 0.000 0.301 239 T C 0.285 174.967 174.700 -0.029 0.000 1.019 239 T CA 0.481 62.562 62.100 -0.031 0.000 1.152 239 T CB -0.402 68.450 68.868 -0.028 0.000 0.966 239 T HN 0.409 nan 8.240 nan 0.000 0.540 240 L N 5.645 126.854 121.223 -0.024 0.000 2.349 240 L HA 0.311 4.732 4.340 0.135 0.000 0.275 240 L C -1.427 175.440 176.870 -0.005 0.000 1.115 240 L CA -2.209 52.622 54.840 -0.014 0.000 0.820 240 L CB 0.427 42.491 42.059 0.008 0.000 1.135 240 L HN 0.466 nan 8.230 nan 0.000 0.445 241 P HA 0.070 nan 4.420 nan 0.000 0.261 241 P C -2.368 174.936 177.300 0.006 0.000 1.183 241 P CA -0.795 62.306 63.100 0.002 0.000 0.761 241 P CB -0.419 31.283 31.700 0.003 0.000 0.785 242 P HA 0.070 nan 4.420 nan 0.000 0.269 242 P C 0.085 177.391 177.300 0.011 0.000 1.217 242 P CA -0.053 63.056 63.100 0.016 0.000 0.783 242 P CB 0.650 32.365 31.700 0.026 0.000 0.898 243 L N 2.362 123.588 121.223 0.004 0.000 2.452 243 L HA 0.270 4.691 4.340 0.135 0.000 0.267 243 L C -1.374 175.519 176.870 0.039 0.000 1.188 243 L CA -1.747 53.077 54.840 -0.025 0.000 0.821 243 L CB -0.548 41.444 42.059 -0.112 0.000 1.102 243 L HN 0.368 nan 8.230 nan 0.000 0.470 244 P HA 0.142 nan 4.420 nan 0.000 0.277 244 P C -1.236 176.152 177.300 0.147 0.000 1.271 244 P CA -0.625 62.529 63.100 0.090 0.000 0.795 244 P CB 0.555 32.303 31.700 0.079 0.000 1.101 245 D N 0.695 121.156 120.400 0.101 0.000 2.382 245 D HA 0.217 4.938 4.640 0.135 0.000 0.245 245 D C -1.999 174.334 176.300 0.055 0.000 1.120 245 D CA -0.674 53.369 54.000 0.071 0.000 0.890 245 D CB -0.516 40.319 40.800 0.058 0.000 1.201 245 D HN 0.231 nan 8.370 nan 0.000 0.433 246 P HA 0.225 nan 4.420 nan 0.000 0.280 246 P C -0.836 176.468 177.300 0.006 0.000 1.244 246 P CA -0.517 62.546 63.100 -0.063 0.000 0.784 246 P CB 0.654 32.231 31.700 -0.206 0.000 0.913 247 A N 3.904 126.748 122.820 0.040 0.000 2.537 247 A HA 0.116 4.517 4.320 0.135 0.000 0.260 247 A C 0.418 178.000 177.584 -0.003 0.000 1.082 247 A CA -0.002 52.051 52.037 0.026 0.000 0.765 247 A CB -0.774 18.247 19.000 0.037 0.000 1.019 247 A HN 0.523 nan 8.150 nan 0.000 0.507 248 M N 5.798 125.394 119.600 -0.006 0.000 2.427 248 M HA 0.181 4.742 4.480 0.135 0.000 0.345 248 M C -1.668 174.615 176.300 -0.027 0.000 1.653 248 M CA -1.631 53.656 55.300 -0.022 0.000 1.138 248 M CB 0.059 32.656 32.600 -0.005 0.000 1.995 248 M HN 0.513 nan 8.290 nan 0.000 0.459 249 P HA 0.185 nan 4.420 nan 0.000 0.274 249 P C -1.322 175.956 177.300 -0.037 0.000 1.231 249 P CA -0.379 62.690 63.100 -0.051 0.000 0.790 249 P CB 0.357 32.002 31.700 -0.092 0.000 0.951 250 R N 1.058 121.543 120.500 -0.026 0.000 2.390 250 R HA 0.636 5.057 4.340 0.135 0.000 0.291 250 R C -0.068 176.220 176.300 -0.021 0.000 1.070 250 R CA -0.796 55.294 56.100 -0.016 0.000 1.014 250 R CB 0.292 30.588 30.300 -0.008 0.000 1.007 250 R HN 0.411 nan 8.270 nan 0.000 0.466 251 A N 2.859 125.672 122.820 -0.012 0.000 2.440 251 A HA 0.390 4.791 4.320 0.135 0.000 0.251 251 A C 0.175 177.756 177.584 -0.005 0.000 1.089 251 A CA 0.030 52.061 52.037 -0.011 0.000 0.779 251 A CB 0.260 19.264 19.000 0.007 0.000 1.022 251 A HN 0.935 nan 8.150 nan 0.000 0.492 252 T N -1.240 113.309 114.554 -0.008 0.000 2.804 252 T HA 0.683 5.114 4.350 0.135 0.000 0.290 252 T C -0.444 174.262 174.700 0.009 0.000 1.099 252 T CA -0.694 61.406 62.100 0.000 0.000 1.011 252 T CB 0.830 69.696 68.868 -0.005 0.000 1.291 252 T HN 0.658 nan 8.240 nan 0.000 0.523 253 V N 0.534 120.457 119.914 0.015 0.000 2.713 253 V HA 0.659 4.860 4.120 0.135 0.000 0.307 253 V C -0.256 175.849 176.094 0.019 0.000 1.052 253 V CA -0.705 61.609 62.300 0.023 0.000 0.967 253 V CB 1.386 33.225 31.823 0.026 0.000 1.019 253 V HN 0.968 nan 8.190 nan 0.000 0.459 254 E N 2.635 122.850 120.200 0.026 0.000 2.361 254 E HA 0.354 4.784 4.350 0.135 0.000 0.270 254 E C -1.181 175.436 176.600 0.027 0.000 0.911 254 E CA -0.632 55.782 56.400 0.023 0.000 0.818 254 E CB 1.873 31.584 29.700 0.019 0.000 1.332 254 E HN 0.576 nan 8.360 nan 0.000 0.402 255 R N 3.122 123.635 120.500 0.022 0.000 2.265 255 R HA 0.507 4.928 4.340 0.135 0.000 0.319 255 R C -0.021 176.289 176.300 0.016 0.000 1.006 255 R CA -0.476 55.636 56.100 0.020 0.000 0.880 255 R CB 1.254 31.565 30.300 0.019 0.000 1.077 255 R HN 0.387 nan 8.270 nan 0.000 0.454 256 I N 2.233 122.811 120.570 0.014 0.000 2.354 256 I HA 0.236 4.487 4.170 0.135 0.000 0.292 256 I C 0.495 176.617 176.117 0.008 0.000 0.989 256 I CA -0.726 60.580 61.300 0.010 0.000 1.188 256 I CB 1.834 39.839 38.000 0.009 0.000 1.342 256 I HN 0.639 nan 8.210 nan 0.000 0.457 257 A N 5.411 128.235 122.820 0.006 0.000 2.548 257 A HA 0.256 4.657 4.320 0.135 0.000 0.247 257 A C -0.196 177.389 177.584 0.002 0.000 1.067 257 A CA 0.401 52.441 52.037 0.005 0.000 0.757 257 A CB -0.244 18.758 19.000 0.004 0.000 0.996 257 A HN 0.809 nan 8.150 nan 0.000 0.504 258 N N 1.437 120.139 118.700 0.003 0.000 2.431 258 N HA 0.485 5.306 4.740 0.135 0.000 0.275 258 N C -2.751 172.761 175.510 0.003 0.000 1.091 258 N CA -0.952 52.098 53.050 0.001 0.000 0.922 258 N CB 1.982 40.468 38.487 -0.001 0.000 1.666 258 N HN 0.340 nan 8.380 nan 0.000 0.484 259 P HA 0.232 nan 4.420 nan 0.000 0.237 259 P C -1.205 176.097 177.300 0.004 0.000 1.723 259 P CA -0.059 63.042 63.100 0.002 0.000 0.882 259 P CB -0.322 31.377 31.700 -0.001 0.000 1.810 260 A N 0.660 123.486 122.820 0.010 0.000 2.292 260 A HA 0.434 4.835 4.320 0.135 0.000 0.319 260 A C 1.494 179.090 177.584 0.019 0.000 1.206 260 A CA -0.248 51.800 52.037 0.019 0.000 0.835 260 A CB 0.733 19.755 19.000 0.036 0.000 1.164 260 A HN 0.266 nan 8.150 nan 0.000 0.505 261 T N -0.071 114.493 114.554 0.017 0.000 2.995 261 T HA 0.030 4.461 4.350 0.135 0.000 0.269 261 T C 0.460 175.166 174.700 0.011 0.000 1.091 261 T CA 1.202 63.309 62.100 0.011 0.000 1.128 261 T CB -0.256 68.615 68.868 0.006 0.000 0.891 261 T HN 0.663 nan 8.240 nan 0.000 0.492 262 Q N 0.799 120.610 119.800 0.018 0.000 2.294 262 Q HA 0.677 5.098 4.340 0.135 0.000 0.264 262 Q C -1.132 174.874 176.000 0.010 0.000 0.992 262 Q CA -0.724 55.079 55.803 0.000 0.000 0.747 262 Q CB 2.093 30.819 28.738 -0.020 0.000 1.262 262 Q HN 0.421 nan 8.270 nan 0.000 0.452 263 A N 2.170 124.983 122.820 -0.011 0.000 2.440 263 A HA 0.339 4.740 4.320 0.135 0.000 0.251 263 A C -0.877 176.649 177.584 -0.098 0.000 1.089 263 A CA -0.047 51.987 52.037 -0.004 0.000 0.779 263 A CB 0.123 19.112 19.000 -0.017 0.000 1.022 263 A HN 0.672 nan 8.150 nan 0.000 0.492 264 H N 0.245 119.238 119.070 -0.128 0.000 2.473 264 H HA 0.620 5.257 4.556 0.135 0.000 0.327 264 H C -0.672 174.497 175.328 -0.264 0.000 1.105 264 H CA 0.150 56.083 56.048 -0.193 0.000 1.280 264 H CB 1.057 30.740 29.762 -0.133 0.000 1.450 264 H HN 0.521 nan 8.280 nan 0.000 0.492 265 I N 1.692 122.036 120.570 -0.376 0.000 2.647 265 I HA 0.643 4.893 4.170 0.135 0.000 0.295 265 I C -0.672 175.228 176.117 -0.361 0.000 1.078 265 I CA -0.519 60.523 61.300 -0.429 0.000 1.048 265 I CB 2.191 39.729 38.000 -0.770 0.000 1.239 265 I HN 0.695 nan 8.210 nan 0.000 0.421 266 A N 6.091 128.805 122.820 -0.177 0.000 2.515 266 A HA 0.975 5.376 4.320 0.135 0.000 0.298 266 A C -1.297 176.329 177.584 0.070 0.000 1.059 266 A CA -0.411 51.517 52.037 -0.183 0.000 0.698 266 A CB 1.294 20.002 19.000 -0.487 0.000 1.289 266 A HN 0.582 nan 8.150 nan 0.000 0.404 267 I N 1.053 121.682 120.570 0.098 0.000 2.610 267 I HA 0.683 4.934 4.170 0.135 0.000 0.289 267 I C 0.371 176.613 176.117 0.208 0.000 1.163 267 I CA 0.033 61.477 61.300 0.241 0.000 1.044 267 I CB 2.476 40.569 38.000 0.156 0.000 1.251 267 I HN 1.128 nan 8.210 nan 0.000 0.424 268 G N 5.461 114.461 108.800 0.334 0.000 2.348 268 G HA2 0.760 4.801 3.960 0.135 0.000 0.296 268 G HA3 0.760 4.801 3.960 0.135 0.000 0.296 268 G C -1.541 173.434 174.900 0.125 0.000 1.258 268 G CA -0.481 44.747 45.100 0.214 0.000 0.868 268 G HN 0.705 nan 8.290 nan 0.000 0.488 269 M N -2.106 117.570 119.600 0.126 0.000 2.895 269 M HA 0.640 5.201 4.480 0.135 0.000 0.271 269 M C -3.319 172.982 176.300 0.003 0.000 1.174 269 M CA -1.654 53.637 55.300 -0.015 0.000 0.816 269 M CB 2.381 34.998 32.600 0.028 0.000 1.647 269 M HN 0.361 nan 8.290 nan 0.000 0.506 270 P HA 0.505 nan 4.420 nan 0.000 0.301 270 P C -0.924 176.397 177.300 0.035 0.000 1.348 270 P CA -0.232 62.844 63.100 -0.041 0.000 0.826 270 P CB 1.667 33.241 31.700 -0.210 0.000 0.945 271 T N 1.514 116.118 114.554 0.083 0.000 3.408 271 T HA 0.120 4.551 4.350 0.135 0.000 0.273 271 T C 0.709 175.401 174.700 -0.013 0.000 0.983 271 T CA -0.195 61.939 62.100 0.057 0.000 1.087 271 T CB -0.316 68.596 68.868 0.073 0.000 1.170 271 T HN 0.155 nan 8.240 nan 0.000 0.456 272 L N 3.130 124.326 121.223 -0.045 0.000 2.534 272 L HA 0.190 4.610 4.340 0.135 0.000 0.271 272 L C 0.411 177.230 176.870 -0.084 0.000 1.178 272 L CA 0.382 55.107 54.840 -0.191 0.000 0.907 272 L CB 0.489 42.426 42.059 -0.202 0.000 1.164 272 L HN 0.233 nan 8.230 nan 0.000 0.482 273 K N 3.650 124.002 120.400 -0.080 0.000 2.842 273 K HA 0.360 4.761 4.320 0.135 0.000 0.310 273 K C 0.760 177.361 176.600 0.002 0.000 0.992 273 K CA -0.865 55.430 56.287 0.014 0.000 1.207 273 K CB 0.717 33.257 32.500 0.066 0.000 1.478 273 K HN 0.503 nan 8.250 nan 0.000 0.601 274 R N 0.012 120.559 120.500 0.078 0.000 2.076 274 R HA 0.101 4.522 4.340 0.135 0.000 0.203 274 R C 0.945 177.356 176.300 0.185 0.000 1.229 274 R CA 0.416 56.597 56.100 0.136 0.000 1.094 274 R CB -0.777 29.563 30.300 0.066 0.000 0.991 274 R HN 0.709 nan 8.270 nan 0.000 0.471 275 G N 2.700 111.572 108.800 0.121 0.000 2.563 275 G HA2 0.068 4.109 3.960 0.135 0.000 0.295 275 G HA3 0.068 4.109 3.960 0.135 0.000 0.295 275 G C -0.876 174.096 174.900 0.120 0.000 0.874 275 G CA 0.180 45.346 45.100 0.109 0.000 1.642 275 G HN 0.080 nan 8.290 nan 0.000 0.483 276 D N 3.074 123.572 120.400 0.164 0.000 2.319 276 D HA 0.201 4.922 4.640 0.135 0.000 0.237 276 D C -1.473 174.935 176.300 0.181 0.000 1.353 276 D CA -1.360 52.724 54.000 0.141 0.000 0.992 276 D CB 2.166 42.997 40.800 0.051 0.000 1.368 276 D HN 0.132 nan 8.370 nan 0.000 0.564 277 P HA -0.140 nan 4.420 nan 0.000 0.217 277 P C 0.342 177.744 177.300 0.170 0.000 1.148 277 P CA 0.969 64.157 63.100 0.147 0.000 0.834 277 P CB 0.454 32.215 31.700 0.101 0.000 0.783 278 D N -1.852 118.648 120.400 0.165 0.000 2.323 278 D HA 0.019 4.739 4.640 0.135 0.000 0.239 278 D C 1.308 177.651 176.300 0.072 0.000 1.129 278 D CA -0.103 53.980 54.000 0.138 0.000 0.865 278 D CB -0.917 40.010 40.800 0.211 0.000 0.913 278 D HN 0.084 nan 8.370 nan 0.000 0.517 279 F N 0.456 120.383 119.950 -0.038 0.000 2.010 279 F HA -0.215 4.394 4.527 0.137 0.000 0.296 279 F C 1.820 177.500 175.800 -0.200 0.000 1.146 279 F CA 1.510 59.409 58.000 -0.170 0.000 1.181 279 F CB -0.406 38.493 39.000 -0.169 0.000 0.965 279 F HN -0.081 nan 8.300 nan 0.000 0.480 280 F N 0.184 120.301 119.950 0.279 0.000 2.102 280 F HA -0.124 4.487 4.527 0.140 0.000 0.298 280 F C -0.374 175.456 175.800 0.051 0.000 1.105 280 F CA 1.666 59.739 58.000 0.122 0.000 1.239 280 F CB -2.286 36.694 39.000 -0.033 0.000 0.991 280 F HN 0.022 nan 8.300 nan 0.000 0.474 281 P HA -0.234 nan 4.420 nan 0.000 0.217 281 P C 1.950 179.351 177.300 0.169 0.000 1.158 281 P CA 1.717 64.918 63.100 0.169 0.000 0.887 281 P CB -0.131 31.652 31.700 0.139 0.000 0.792 282 L N -1.050 120.158 121.223 -0.026 0.000 1.994 282 L HA -0.153 4.267 4.340 0.135 0.000 0.208 282 L C 2.406 179.232 176.870 -0.074 0.000 1.071 282 L CA 1.679 56.354 54.840 -0.275 0.000 0.745 282 L CB -1.212 40.248 42.059 -0.998 0.000 0.892 282 L HN -0.070 nan 8.230 nan 0.000 0.431 283 V N -4.331 115.525 119.914 -0.097 0.000 2.719 283 V HA -0.089 4.111 4.120 0.135 0.000 0.252 283 V C 2.234 178.479 176.094 0.251 0.000 1.065 283 V CA 0.805 63.167 62.300 0.104 0.000 1.086 283 V CB -0.513 31.360 31.823 0.083 0.000 0.700 283 V HN 0.177 nan 8.190 nan 0.000 0.467 284 V N 2.081 122.134 119.914 0.231 0.000 2.307 284 V HA -0.049 4.152 4.120 0.135 0.000 0.245 284 V C 2.886 179.161 176.094 0.302 0.000 1.045 284 V CA 2.286 64.730 62.300 0.241 0.000 1.024 284 V CB -1.383 30.551 31.823 0.186 0.000 0.651 284 V HN 0.586 nan 8.190 nan 0.000 0.449 285 G N -0.089 108.929 108.800 0.363 0.000 2.440 285 G HA2 -0.348 3.693 3.960 0.135 0.000 0.218 285 G HA3 -0.348 3.693 3.960 0.135 0.000 0.218 285 G C 1.447 176.609 174.900 0.437 0.000 1.154 285 G CA 1.220 46.605 45.100 0.476 0.000 0.767 285 G HN 0.537 nan 8.290 nan 0.000 0.552 286 N N -0.781 118.224 118.700 0.508 0.000 2.244 286 N HA -0.116 4.705 4.740 0.135 0.000 0.183 286 N C 1.792 177.441 175.510 0.232 0.000 1.016 286 N CA 0.866 54.177 53.050 0.436 0.000 0.866 286 N CB -0.341 38.562 38.487 0.693 0.000 0.980 286 N HN 0.431 nan 8.380 nan 0.000 0.430 287 Y N 0.418 120.820 120.300 0.169 0.000 2.200 287 Y HA -0.026 4.605 4.550 0.134 0.000 0.290 287 Y C 2.191 178.125 175.900 0.055 0.000 1.137 287 Y CA 1.607 59.768 58.100 0.102 0.000 1.163 287 Y CB -0.405 38.125 38.460 0.116 0.000 0.988 287 Y HN 0.149 nan 8.280 nan 0.000 0.518 288 A N -0.262 122.691 122.820 0.221 0.000 2.015 288 A HA -0.125 4.276 4.320 0.135 0.000 0.219 288 A C 2.261 179.832 177.584 -0.021 0.000 1.163 288 A CA 1.364 53.485 52.037 0.140 0.000 0.646 288 A CB -0.931 18.209 19.000 0.234 0.000 0.806 288 A HN 0.595 nan 8.150 nan 0.000 0.448 289 L N -1.755 119.364 121.223 -0.173 0.000 2.005 289 L HA -0.003 4.418 4.340 0.135 0.000 0.207 289 L C 2.064 178.759 176.870 -0.292 0.000 1.072 289 L CA 1.732 56.294 54.840 -0.464 0.000 0.744 289 L CB -0.100 41.544 42.059 -0.692 0.000 0.895 289 L HN 0.482 nan 8.230 nan 0.000 0.433 290 G N -2.508 106.142 108.800 -0.249 0.000 2.524 290 G HA2 0.054 4.095 3.960 0.135 0.000 0.165 290 G HA3 0.054 4.095 3.960 0.135 0.000 0.165 290 G C 0.651 175.362 174.900 -0.314 0.000 1.427 290 G CA 0.282 45.222 45.100 -0.267 0.000 0.794 290 G HN 0.435 nan 8.290 nan 0.000 1.024 291 G N 0.837 109.398 108.800 -0.398 0.000 2.097 291 G HA2 0.417 4.458 3.960 0.135 0.000 0.256 291 G HA3 0.417 4.458 3.960 0.135 0.000 0.256 291 G C 1.498 175.936 174.900 -0.771 0.000 1.082 291 G CA 0.949 45.722 45.100 -0.546 0.000 0.956 291 G HN 1.348 nan 8.290 nan 0.000 0.420 292 G N 3.129 111.745 108.800 -0.308 0.000 3.947 292 G HA2 -0.152 3.889 3.960 0.135 0.000 0.365 292 G HA3 -0.152 3.889 3.960 0.135 0.000 0.365 292 G C 1.456 176.127 174.900 -0.381 0.000 1.532 292 G CA 1.139 46.093 45.100 -0.245 0.000 1.426 292 G HN 2.014 nan 8.290 nan 0.000 0.794 293 G N -0.432 108.060 108.800 -0.513 0.000 2.760 293 G HA2 0.338 4.379 3.960 0.135 0.000 0.236 293 G HA3 0.338 4.379 3.960 0.135 0.000 0.236 293 G C 0.236 174.780 174.900 -0.592 0.000 1.243 293 G CA 0.270 44.994 45.100 -0.627 0.000 0.850 293 G HN 0.789 nan 8.290 nan 0.000 0.595 294 F N -0.476 119.464 119.950 -0.016 0.000 2.916 294 F HA 0.339 4.947 4.527 0.135 0.000 0.294 294 F C 1.408 177.177 175.800 -0.052 0.000 1.189 294 F CA -0.277 57.691 58.000 -0.055 0.000 1.369 294 F CB 0.500 39.469 39.000 -0.052 0.000 0.961 294 F HN 0.365 nan 8.300 nan 0.000 0.508 295 E N -0.267 119.943 120.200 0.016 0.000 2.536 295 E HA 0.054 4.485 4.350 0.135 0.000 0.220 295 E C 0.832 177.420 176.600 -0.020 0.000 0.876 295 E CA 0.215 56.627 56.400 0.021 0.000 1.190 295 E CB 0.550 30.278 29.700 0.046 0.000 1.191 295 E HN 0.339 nan 8.360 nan 0.000 0.557 296 S N 0.739 116.389 115.700 -0.083 0.000 2.584 296 S HA 0.172 4.723 4.470 0.135 0.000 0.270 296 S C 1.130 175.671 174.600 -0.098 0.000 1.346 296 S CA -0.374 57.761 58.200 -0.108 0.000 1.018 296 S CB 2.140 65.212 63.200 -0.213 0.000 0.899 296 S HN 0.073 nan 8.310 nan 0.000 0.542 297 R N 0.266 120.713 120.500 -0.088 0.000 2.073 297 R HA 0.007 4.428 4.340 0.135 0.000 0.234 297 R C 2.157 178.386 176.300 -0.119 0.000 1.134 297 R CA 1.529 57.587 56.100 -0.071 0.000 0.952 297 R CB -0.608 29.678 30.300 -0.022 0.000 0.850 297 R HN 0.809 nan 8.270 nan 0.000 0.433 298 L N 0.140 121.259 121.223 -0.174 0.000 2.191 298 L HA -0.201 4.220 4.340 0.135 0.000 0.212 298 L C 2.603 179.322 176.870 -0.251 0.000 1.103 298 L CA 0.749 55.455 54.840 -0.224 0.000 0.769 298 L CB -0.194 41.708 42.059 -0.262 0.000 0.908 298 L HN 0.335 nan 8.230 nan 0.000 0.438 299 M N -0.390 119.076 119.600 -0.223 0.000 2.123 299 M HA -0.157 4.404 4.480 0.135 0.000 0.263 299 M C 2.190 178.405 176.300 -0.141 0.000 1.069 299 M CA 1.746 56.924 55.300 -0.204 0.000 1.133 299 M CB -0.466 32.045 32.600 -0.148 0.000 1.356 299 M HN 0.111 nan 8.290 nan 0.000 0.415 300 K N -0.445 119.893 120.400 -0.103 0.000 2.155 300 K HA -0.109 4.292 4.320 0.135 0.000 0.203 300 K C 1.756 178.305 176.600 -0.085 0.000 1.052 300 K CA 0.779 57.022 56.287 -0.073 0.000 0.948 300 K CB 0.035 32.508 32.500 -0.045 0.000 0.728 300 K HN 0.314 nan 8.250 nan 0.000 0.448 301 E N 0.722 120.859 120.200 -0.106 0.000 2.072 301 E HA -0.079 4.352 4.350 0.135 0.000 0.190 301 E C 2.087 178.609 176.600 -0.130 0.000 0.982 301 E CA 0.948 57.284 56.400 -0.106 0.000 0.803 301 E CB 0.044 29.679 29.700 -0.108 0.000 0.755 301 E HN 0.335 nan 8.360 nan 0.000 0.453 302 I N 0.040 120.501 120.570 -0.182 0.000 2.512 302 I HA -0.064 4.187 4.170 0.135 0.000 0.247 302 I C 2.712 178.739 176.117 -0.149 0.000 1.094 302 I CA 0.336 61.511 61.300 -0.208 0.000 1.427 302 I CB -0.171 37.614 38.000 -0.359 0.000 1.149 302 I HN -0.070 nan 8.210 nan 0.000 0.438 303 R N 1.072 121.482 120.500 -0.149 0.000 2.075 303 R HA -0.098 4.323 4.340 0.135 0.000 0.226 303 R C 1.501 177.751 176.300 -0.084 0.000 1.114 303 R CA 1.578 57.610 56.100 -0.114 0.000 0.972 303 R CB -0.085 30.132 30.300 -0.138 0.000 0.869 303 R HN 0.282 nan 8.270 nan 0.000 0.437 304 D N 0.245 120.598 120.400 -0.079 0.000 2.202 304 D HA -0.024 4.697 4.640 0.135 0.000 0.214 304 D C 1.797 178.068 176.300 -0.048 0.000 0.967 304 D CA 0.915 54.880 54.000 -0.057 0.000 0.871 304 D CB 0.020 40.791 40.800 -0.048 0.000 1.020 304 D HN 0.134 nan 8.370 nan 0.000 0.474 305 K N 0.329 120.699 120.400 -0.051 0.000 2.147 305 K HA -0.048 4.353 4.320 0.135 0.000 0.205 305 K C 1.220 177.798 176.600 -0.037 0.000 1.049 305 K CA 0.896 57.158 56.287 -0.041 0.000 0.936 305 K CB 0.350 32.824 32.500 -0.043 0.000 0.722 305 K HN 0.194 nan 8.250 nan 0.000 0.446 306 R N -1.377 119.097 120.500 -0.042 0.000 3.045 306 R HA 0.348 4.769 4.340 0.135 0.000 0.245 306 R C 0.048 176.329 176.300 -0.032 0.000 1.333 306 R CA -0.653 55.427 56.100 -0.033 0.000 1.036 306 R CB 0.314 30.596 30.300 -0.030 0.000 1.340 306 R HN -0.053 nan 8.270 nan 0.000 0.488 307 G N 0.833 109.620 108.800 -0.021 0.000 4.126 307 G HA2 0.370 4.410 3.960 0.135 0.000 0.282 307 G HA3 0.370 4.410 3.960 0.135 0.000 0.282 307 G C 0.481 175.377 174.900 -0.007 0.000 1.221 307 G CA -0.412 44.680 45.100 -0.014 0.000 1.527 307 G HN 0.326 nan 8.290 nan 0.000 0.612 308 L N 0.288 121.501 121.223 -0.017 0.000 2.145 308 L HA 0.219 4.640 4.340 0.135 0.000 0.201 308 L C 1.692 178.577 176.870 0.025 0.000 1.075 308 L CA 0.978 55.815 54.840 -0.005 0.000 0.773 308 L CB 0.059 42.096 42.059 -0.037 0.000 0.936 308 L HN 0.542 nan 8.230 nan 0.000 0.451 309 S N -3.641 112.069 115.700 0.017 0.000 2.819 309 S HA 0.178 4.729 4.470 0.135 0.000 0.299 309 S C 0.129 174.789 174.600 0.099 0.000 1.192 309 S CA -0.632 57.612 58.200 0.073 0.000 0.847 309 S CB 0.868 64.130 63.200 0.103 0.000 1.224 309 S HN 0.075 nan 8.310 nan 0.000 0.537 310 Y N 1.120 121.416 120.300 -0.008 0.000 2.301 310 Y HA 0.517 5.147 4.550 0.133 0.000 0.295 310 Y C 0.925 176.811 175.900 -0.025 0.000 1.119 310 Y CA 1.208 59.304 58.100 -0.007 0.000 1.162 310 Y CB -0.115 38.361 38.460 0.026 0.000 1.046 310 Y HN 1.213 nan 8.280 nan 0.000 0.538 311 G N -0.548 108.220 108.800 -0.055 0.000 2.443 311 G HA2 0.509 4.550 3.960 0.135 0.000 0.303 311 G HA3 0.509 4.550 3.960 0.135 0.000 0.303 311 G C -2.007 172.542 174.900 -0.585 0.000 1.613 311 G CA -0.333 44.558 45.100 -0.349 0.000 0.879 311 G HN 0.412 nan 8.290 nan 0.000 0.632 312 A N 0.987 123.352 122.820 -0.758 0.000 2.342 312 A HA 0.972 5.373 4.320 0.135 0.000 0.323 312 A C -1.295 175.750 177.584 -0.898 0.000 1.125 312 A CA -0.744 50.897 52.037 -0.659 0.000 0.785 312 A CB 0.962 19.678 19.000 -0.472 0.000 1.221 312 A HN 1.142 nan 8.150 nan 0.000 0.463 313 Y N 0.634 120.815 120.300 -0.198 0.000 2.421 313 Y HA 0.531 5.160 4.550 0.132 0.000 0.339 313 Y C 0.439 175.979 175.900 -0.600 0.000 0.996 313 Y CA -0.852 56.994 58.100 -0.423 0.000 1.046 313 Y CB 2.053 40.203 38.460 -0.516 0.000 1.226 313 Y HN 0.674 nan 8.280 nan 0.000 0.445 314 S N 1.362 116.822 115.700 -0.399 0.000 2.508 314 S HA 0.703 5.254 4.470 0.135 0.000 0.284 314 S C -1.329 173.007 174.600 -0.441 0.000 1.192 314 S CA -0.640 57.325 58.200 -0.391 0.000 1.070 314 S CB 0.607 63.722 63.200 -0.141 0.000 1.004 314 S HN 0.488 nan 8.310 nan 0.000 0.493 315 Y N 0.646 120.835 120.300 -0.185 0.000 2.468 315 Y HA 0.673 5.307 4.550 0.140 0.000 0.342 315 Y C -0.757 175.080 175.900 -0.105 0.000 1.021 315 Y CA -1.474 56.577 58.100 -0.081 0.000 1.079 315 Y CB 1.499 39.897 38.460 -0.105 0.000 1.226 315 Y HN 0.711 nan 8.280 nan 0.000 0.460 316 F N 1.506 121.601 119.950 0.241 0.000 2.577 316 F HA 0.382 4.990 4.527 0.135 0.000 0.344 316 F C -0.549 175.274 175.800 0.038 0.000 1.145 316 F CA -1.037 57.049 58.000 0.143 0.000 0.996 316 F CB 1.595 40.636 39.000 0.068 0.000 1.248 316 F HN 0.381 nan 8.300 nan 0.000 0.447 317 S N 4.561 120.382 115.700 0.201 0.000 2.532 317 S HA 0.674 5.225 4.470 0.135 0.000 0.318 317 S C -3.097 171.507 174.600 0.007 0.000 1.083 317 S CA -1.711 56.531 58.200 0.069 0.000 1.131 317 S CB 1.104 64.311 63.200 0.012 0.000 0.973 317 S HN 0.183 nan 8.310 nan 0.000 0.468 318 P HA 0.433 nan 4.420 nan 0.000 0.285 318 P C -0.576 176.626 177.300 -0.163 0.000 1.259 318 P CA -0.287 62.738 63.100 -0.126 0.000 0.794 318 P CB 0.736 32.339 31.700 -0.162 0.000 0.940 319 Q N 0.783 120.543 119.800 -0.067 0.000 2.857 319 Q HA 0.292 4.712 4.340 0.135 0.000 0.319 319 Q C 0.906 177.060 176.000 0.257 0.000 0.963 319 Q CA -0.963 54.878 55.803 0.064 0.000 0.770 319 Q CB 1.187 29.908 28.738 -0.027 0.000 1.492 319 Q HN 0.135 nan 8.270 nan 0.000 0.493 320 K N 0.479 121.160 120.400 0.469 0.000 1.969 320 K HA -0.008 4.393 4.320 0.135 0.000 0.216 320 K C 1.020 177.803 176.600 0.306 0.000 1.048 320 K CA 1.302 57.825 56.287 0.393 0.000 0.948 320 K CB -0.310 32.404 32.500 0.356 0.000 0.726 320 K HN 0.356 nan 8.250 nan 0.000 0.442 321 S N 0.164 116.102 115.700 0.397 0.000 2.607 321 S HA 0.274 4.825 4.470 0.135 0.000 0.272 321 S C 0.467 175.283 174.600 0.360 0.000 1.166 321 S CA -0.572 57.820 58.200 0.319 0.000 1.021 321 S CB 0.416 63.756 63.200 0.233 0.000 1.113 321 S HN 0.145 nan 8.310 nan 0.000 0.531 322 M N 2.177 121.939 119.600 0.270 0.000 2.251 322 M HA 0.245 4.806 4.480 0.135 0.000 0.346 322 M C 0.622 177.101 176.300 0.299 0.000 1.499 322 M CA -0.281 55.143 55.300 0.207 0.000 1.128 322 M CB -0.410 32.264 32.600 0.123 0.000 1.809 322 M HN 0.647 nan 8.290 nan 0.000 0.464 323 G N 2.568 111.481 108.800 0.188 0.000 2.511 323 G HA2 0.586 4.626 3.960 0.135 0.000 0.316 323 G HA3 0.586 4.626 3.960 0.135 0.000 0.316 323 G C -1.189 173.818 174.900 0.179 0.000 1.210 323 G CA -0.811 44.382 45.100 0.155 0.000 0.969 323 G HN 0.573 nan 8.290 nan 0.000 0.492 324 L N 0.382 121.710 121.223 0.175 0.000 2.360 324 L HA 0.455 4.875 4.340 0.135 0.000 0.276 324 L C -0.516 176.419 176.870 0.108 0.000 1.121 324 L CA -0.472 54.464 54.840 0.160 0.000 0.845 324 L CB 0.471 42.643 42.059 0.188 0.000 1.143 324 L HN 0.353 nan 8.230 nan 0.000 0.452 325 F N 5.429 125.320 119.950 -0.098 0.000 2.408 325 F HA 0.586 5.194 4.527 0.134 0.000 0.344 325 F C -0.149 175.570 175.800 -0.134 0.000 1.112 325 F CA -0.152 57.627 58.000 -0.368 0.000 1.096 325 F CB 0.827 39.424 39.000 -0.672 0.000 1.129 325 F HN 0.676 nan 8.300 nan 0.000 0.486 326 Q N 5.235 124.399 119.800 -1.061 0.000 2.565 326 Q HA 0.716 5.137 4.340 0.135 0.000 0.294 326 Q C -2.059 173.495 176.000 -0.743 0.000 1.005 326 Q CA -1.037 54.351 55.803 -0.691 0.000 0.771 326 Q CB 2.489 31.070 28.738 -0.262 0.000 1.486 326 Q HN 0.702 nan 8.270 nan 0.000 0.422 327 I N 0.107 120.440 120.570 -0.395 0.000 2.608 327 I HA 0.791 5.042 4.170 0.135 0.000 0.295 327 I C -0.512 175.578 176.117 -0.046 0.000 1.049 327 I CA -1.128 60.049 61.300 -0.205 0.000 1.063 327 I CB 2.574 40.508 38.000 -0.110 0.000 1.248 327 I HN 0.822 nan 8.210 nan 0.000 0.424 328 G N 5.535 114.382 108.800 0.079 0.000 2.744 328 G HA2 0.703 4.744 3.960 0.135 0.000 0.286 328 G HA3 0.703 4.744 3.960 0.135 0.000 0.286 328 G C -1.324 173.730 174.900 0.256 0.000 1.497 328 G CA -0.312 44.869 45.100 0.135 0.000 1.070 328 G HN 0.527 nan 8.290 nan 0.000 0.539 329 F N 0.029 119.964 119.950 -0.025 0.000 2.711 329 F HA 0.858 5.467 4.527 0.136 0.000 0.313 329 F C -0.918 174.832 175.800 -0.083 0.000 1.141 329 F CA -1.597 56.371 58.000 -0.053 0.000 0.941 329 F CB 1.424 40.350 39.000 -0.123 0.000 1.349 329 F HN 0.588 nan 8.300 nan 0.000 0.464 330 E N 0.251 120.411 120.200 -0.066 0.000 2.293 330 E HA 0.697 5.128 4.350 0.135 0.000 0.270 330 E C -1.500 175.104 176.600 0.007 0.000 0.879 330 E CA -0.980 55.263 56.400 -0.262 0.000 0.756 330 E CB 2.533 31.934 29.700 -0.499 0.000 1.208 330 E HN 0.845 nan 8.360 nan 0.000 0.428 331 T N -0.173 114.364 114.554 -0.028 0.000 2.907 331 T HA 0.531 4.962 4.350 0.135 0.000 0.290 331 T C 0.011 174.709 174.700 -0.004 0.000 1.066 331 T CA -1.185 60.950 62.100 0.058 0.000 1.012 331 T CB 1.321 70.278 68.868 0.148 0.000 1.184 331 T HN 0.430 nan 8.240 nan 0.000 0.522 332 R N 0.041 120.550 120.500 0.015 0.000 2.490 332 R HA 0.516 4.937 4.340 0.135 0.000 0.280 332 R C 1.486 177.794 176.300 0.014 0.000 1.077 332 R CA -0.064 56.040 56.100 0.007 0.000 1.065 332 R CB 0.593 30.898 30.300 0.008 0.000 1.003 332 R HN 0.876 nan 8.270 nan 0.000 0.470 333 A N 3.027 125.853 122.820 0.010 0.000 2.234 333 A HA -0.186 4.215 4.320 0.135 0.000 0.216 333 A C 1.357 178.951 177.584 0.016 0.000 1.167 333 A CA 1.376 53.420 52.037 0.013 0.000 0.698 333 A CB -0.257 18.750 19.000 0.012 0.000 0.779 333 A HN 0.847 nan 8.150 nan 0.000 0.475 334 E N 0.003 120.212 120.200 0.016 0.000 2.011 334 E HA -0.038 4.393 4.350 0.135 0.000 0.191 334 E C 1.037 177.649 176.600 0.021 0.000 0.980 334 E CA 0.876 57.285 56.400 0.016 0.000 0.814 334 E CB -0.118 29.589 29.700 0.012 0.000 0.775 334 E HN 0.371 nan 8.360 nan 0.000 0.454 335 K N 0.610 121.025 120.400 0.024 0.000 3.322 335 K HA 0.182 4.583 4.320 0.135 0.000 0.291 335 K C 0.440 177.071 176.600 0.052 0.000 1.131 335 K CA -0.145 56.161 56.287 0.031 0.000 1.185 335 K CB 0.272 32.789 32.500 0.028 0.000 1.338 335 K HN 0.132 nan 8.250 nan 0.000 0.380 336 A N 0.776 123.625 122.820 0.048 0.000 1.887 336 A HA -0.064 4.337 4.320 0.135 0.000 0.210 336 A C 1.383 179.010 177.584 0.071 0.000 1.221 336 A CA 0.789 52.863 52.037 0.061 0.000 0.635 336 A CB -0.034 18.986 19.000 0.035 0.000 0.881 336 A HN 0.385 nan 8.150 nan 0.000 0.456 337 D N 0.137 120.567 120.400 0.050 0.000 2.097 337 D HA -0.185 4.536 4.640 0.135 0.000 0.195 337 D C 1.727 178.058 176.300 0.051 0.000 0.989 337 D CA 1.243 55.271 54.000 0.048 0.000 0.827 337 D CB -0.351 40.468 40.800 0.033 0.000 0.966 337 D HN 0.599 nan 8.370 nan 0.000 0.456 338 E N 0.290 120.515 120.200 0.041 0.000 2.333 338 E HA -0.223 4.208 4.350 0.135 0.000 0.200 338 E C 1.802 178.421 176.600 0.031 0.000 1.010 338 E CA 0.782 57.199 56.400 0.029 0.000 0.841 338 E CB -0.016 29.695 29.700 0.019 0.000 0.757 338 E HN 0.369 nan 8.360 nan 0.000 0.508 339 A N -0.086 122.775 122.820 0.069 0.000 1.903 339 A HA -0.050 4.350 4.320 0.135 0.000 0.213 339 A C 2.290 179.933 177.584 0.099 0.000 1.185 339 A CA 0.780 52.869 52.037 0.086 0.000 0.628 339 A CB -0.274 18.876 19.000 0.250 0.000 0.830 339 A HN 0.177 nan 8.150 nan 0.000 0.446 340 V N 0.654 120.658 119.914 0.149 0.000 2.343 340 V HA -0.276 3.925 4.120 0.135 0.000 0.247 340 V C 2.536 178.669 176.094 0.065 0.000 1.051 340 V CA 1.883 64.262 62.300 0.132 0.000 1.036 340 V CB -1.037 30.855 31.823 0.115 0.000 0.654 340 V HN 0.553 nan 8.190 nan 0.000 0.451 341 Q N -0.314 119.514 119.800 0.046 0.000 2.197 341 Q HA -0.169 4.252 4.340 0.135 0.000 0.207 341 Q C 2.296 178.300 176.000 0.007 0.000 0.984 341 Q CA 1.698 57.516 55.803 0.025 0.000 0.869 341 Q CB -0.377 28.372 28.738 0.019 0.000 0.906 341 Q HN 0.597 nan 8.270 nan 0.000 0.426 342 V N 0.075 119.982 119.914 -0.011 0.000 2.581 342 V HA -0.004 4.197 4.120 0.135 0.000 0.240 342 V C 2.212 178.266 176.094 -0.067 0.000 1.054 342 V CA 1.138 63.412 62.300 -0.045 0.000 1.076 342 V CB -0.480 31.300 31.823 -0.071 0.000 0.748 342 V HN 0.266 nan 8.190 nan 0.000 0.474 343 A N 0.424 123.190 122.820 -0.091 0.000 1.858 343 A HA -0.260 4.141 4.320 0.135 0.000 0.216 343 A C 2.054 179.622 177.584 -0.026 0.000 1.190 343 A CA 2.282 54.247 52.037 -0.119 0.000 0.617 343 A CB -0.733 18.178 19.000 -0.148 0.000 0.827 343 A HN 0.521 nan 8.150 nan 0.000 0.443 344 N N -0.275 118.440 118.700 0.025 0.000 2.396 344 N HA -0.109 4.712 4.740 0.135 0.000 0.180 344 N C 1.009 176.543 175.510 0.040 0.000 1.028 344 N CA 1.053 54.134 53.050 0.052 0.000 0.893 344 N CB -0.296 38.232 38.487 0.069 0.000 0.967 344 N HN 0.374 nan 8.380 nan 0.000 0.440 345 D N -0.500 119.912 120.400 0.020 0.000 2.097 345 D HA -0.106 4.615 4.640 0.135 0.000 0.195 345 D C 1.846 178.156 176.300 0.017 0.000 0.989 345 D CA 1.740 55.749 54.000 0.015 0.000 0.827 345 D CB -0.328 40.473 40.800 0.001 0.000 0.966 345 D HN 0.444 nan 8.370 nan 0.000 0.456 346 T N -1.159 113.394 114.554 -0.001 0.000 2.985 346 T HA -0.043 4.388 4.350 0.135 0.000 0.266 346 T C 2.161 176.881 174.700 0.033 0.000 1.076 346 T CA 0.503 62.603 62.100 -0.001 0.000 1.135 346 T CB -0.371 68.470 68.868 -0.045 0.000 0.890 346 T HN 0.171 nan 8.240 nan 0.000 0.480 347 L N 0.914 122.160 121.223 0.038 0.000 2.072 347 L HA 0.043 4.464 4.340 0.135 0.000 0.205 347 L C 2.019 178.969 176.870 0.134 0.000 1.079 347 L CA 1.737 56.627 54.840 0.083 0.000 0.752 347 L CB -0.477 41.646 42.059 0.106 0.000 0.906 347 L HN -0.016 nan 8.230 nan 0.000 0.436 348 D N 0.554 121.011 120.400 0.095 0.000 2.104 348 D HA -0.211 4.509 4.640 0.135 0.000 0.194 348 D C 2.281 178.623 176.300 0.069 0.000 0.994 348 D CA 1.674 55.723 54.000 0.081 0.000 0.830 348 D CB -0.208 40.626 40.800 0.056 0.000 0.959 348 D HN 0.543 nan 8.370 nan 0.000 0.452 349 A N -0.124 122.733 122.820 0.063 0.000 1.940 349 A HA -0.194 4.207 4.320 0.135 0.000 0.219 349 A C 2.135 179.745 177.584 0.044 0.000 1.176 349 A CA 1.178 53.240 52.037 0.042 0.000 0.631 349 A CB -1.035 17.987 19.000 0.037 0.000 0.814 349 A HN 0.347 nan 8.150 nan 0.000 0.446 350 F N -0.008 119.899 119.950 -0.072 0.000 2.325 350 F HA -0.003 4.606 4.527 0.136 0.000 0.299 350 F C 1.731 177.434 175.800 -0.161 0.000 1.090 350 F CA 1.181 59.105 58.000 -0.126 0.000 1.392 350 F CB -0.065 38.843 39.000 -0.153 0.000 1.053 350 F HN 0.131 nan 8.300 nan 0.000 0.521 351 L N 0.418 121.652 121.223 0.018 0.000 2.156 351 L HA -0.125 4.296 4.340 0.135 0.000 0.208 351 L C 2.541 179.354 176.870 -0.096 0.000 1.095 351 L CA 1.467 56.292 54.840 -0.024 0.000 0.770 351 L CB -0.419 41.694 42.059 0.090 0.000 0.914 351 L HN 0.161 nan 8.230 nan 0.000 0.439 352 R N -0.881 119.569 120.500 -0.084 0.000 2.142 352 R HA 0.066 4.487 4.340 0.135 0.000 0.204 352 R C 1.797 178.028 176.300 -0.115 0.000 1.059 352 R CA 0.352 56.405 56.100 -0.078 0.000 1.055 352 R CB -0.339 29.938 30.300 -0.037 0.000 0.976 352 R HN 0.170 nan 8.270 nan 0.000 0.483 353 E N 1.017 121.136 120.200 -0.134 0.000 2.158 353 E HA 0.089 4.520 4.350 0.135 0.000 0.191 353 E C 0.502 176.968 176.600 -0.225 0.000 0.982 353 E CA 0.756 57.071 56.400 -0.140 0.000 0.823 353 E CB 0.120 29.759 29.700 -0.101 0.000 0.766 353 E HN 0.509 nan 8.360 nan 0.000 0.468 354 G N 1.447 110.006 108.800 -0.401 0.000 2.828 354 G HA2 -0.204 3.837 3.960 0.135 0.000 0.463 354 G HA3 -0.204 3.837 3.960 0.135 0.000 0.463 354 G C -2.640 171.927 174.900 -0.554 0.000 1.394 354 G CA -0.547 44.189 45.100 -0.606 0.000 0.862 354 G HN 0.032 nan 8.290 nan 0.000 0.540 355 P HA 0.342 nan 4.420 nan 0.000 0.275 355 P C 0.830 178.071 177.300 -0.099 0.000 1.227 355 P CA 0.592 63.585 63.100 -0.179 0.000 0.781 355 P CB 0.638 32.309 31.700 -0.049 0.000 0.906 356 T N -0.802 113.729 114.554 -0.039 0.000 2.856 356 T HA 0.050 4.481 4.350 0.135 0.000 0.306 356 T C 0.899 175.592 174.700 -0.012 0.000 1.062 356 T CA -0.122 61.962 62.100 -0.027 0.000 1.083 356 T CB 0.126 68.989 68.868 -0.009 0.000 0.984 356 T HN 0.187 nan 8.240 nan 0.000 0.542 357 D N 1.377 121.769 120.400 -0.014 0.000 2.158 357 D HA -0.063 4.657 4.640 0.135 0.000 0.197 357 D C 2.235 178.539 176.300 0.007 0.000 0.995 357 D CA 1.818 55.815 54.000 -0.006 0.000 0.846 357 D CB -0.613 40.181 40.800 -0.009 0.000 0.941 357 D HN 0.760 nan 8.370 nan 0.000 0.456 358 A N 0.443 123.270 122.820 0.011 0.000 1.898 358 A HA -0.128 4.273 4.320 0.135 0.000 0.214 358 A C 2.073 179.678 177.584 0.035 0.000 1.183 358 A CA 1.117 53.166 52.037 0.020 0.000 0.622 358 A CB -0.396 18.615 19.000 0.017 0.000 0.824 358 A HN 0.134 nan 8.150 nan 0.000 0.444 359 E N -0.221 120.003 120.200 0.040 0.000 2.038 359 E HA -0.185 4.246 4.350 0.135 0.000 0.195 359 E C 1.986 178.636 176.600 0.084 0.000 1.000 359 E CA 1.069 57.509 56.400 0.067 0.000 0.803 359 E CB -0.286 29.459 29.700 0.075 0.000 0.750 359 E HN 0.574 nan 8.360 nan 0.000 0.448 360 L N 1.028 122.290 121.223 0.065 0.000 2.010 360 L HA -0.324 4.097 4.340 0.135 0.000 0.219 360 L C 2.566 179.477 176.870 0.068 0.000 1.077 360 L CA 1.557 56.438 54.840 0.069 0.000 0.773 360 L CB -0.251 41.829 42.059 0.035 0.000 0.892 360 L HN 0.283 nan 8.230 nan 0.000 0.436 361 Q N -0.897 118.931 119.800 0.047 0.000 2.167 361 Q HA -0.147 4.274 4.340 0.135 0.000 0.202 361 Q C 2.140 178.168 176.000 0.046 0.000 0.970 361 Q CA 1.492 57.317 55.803 0.036 0.000 0.855 361 Q CB -0.157 28.595 28.738 0.024 0.000 0.911 361 Q HN 0.639 nan 8.270 nan 0.000 0.438 362 A N 0.468 123.328 122.820 0.067 0.000 2.015 362 A HA 0.018 4.419 4.320 0.135 0.000 0.219 362 A C 2.179 179.831 177.584 0.113 0.000 1.163 362 A CA 1.406 53.493 52.037 0.085 0.000 0.646 362 A CB -0.282 18.776 19.000 0.096 0.000 0.806 362 A HN 0.333 nan 8.150 nan 0.000 0.448 363 A N -0.275 122.627 122.820 0.136 0.000 1.970 363 A HA 0.004 4.405 4.320 0.135 0.000 0.216 363 A C 2.064 179.651 177.584 0.005 0.000 1.170 363 A CA 1.422 53.547 52.037 0.146 0.000 0.645 363 A CB -0.209 18.932 19.000 0.236 0.000 0.816 363 A HN 0.505 nan 8.150 nan 0.000 0.447 364 K N -0.185 120.229 120.400 0.023 0.000 1.991 364 K HA -0.093 4.308 4.320 0.135 0.000 0.207 364 K C 1.575 178.163 176.600 -0.019 0.000 1.045 364 K CA 1.233 57.517 56.287 -0.005 0.000 0.937 364 K CB -0.264 32.235 32.500 -0.002 0.000 0.720 364 K HN 0.338 nan 8.250 nan 0.000 0.438 365 D N 0.832 121.230 120.400 -0.004 0.000 2.149 365 D HA -0.206 4.515 4.640 0.135 0.000 0.194 365 D C 1.739 178.030 176.300 -0.015 0.000 1.001 365 D CA 1.113 55.113 54.000 -0.000 0.000 0.849 365 D CB -0.091 40.718 40.800 0.016 0.000 0.939 365 D HN 0.184 nan 8.370 nan 0.000 0.449 366 N N 0.486 119.154 118.700 -0.052 0.000 2.173 366 N HA -0.060 4.761 4.740 0.135 0.000 0.184 366 N C 2.266 177.675 175.510 -0.168 0.000 1.025 366 N CA 0.422 53.406 53.050 -0.109 0.000 0.852 366 N CB -0.125 38.272 38.487 -0.150 0.000 0.998 366 N HN 0.201 nan 8.380 nan 0.000 0.427 367 L N 0.571 121.658 121.223 -0.227 0.000 2.056 367 L HA -0.056 4.365 4.340 0.135 0.000 0.207 367 L C 2.365 179.289 176.870 0.091 0.000 1.078 367 L CA 0.651 55.433 54.840 -0.097 0.000 0.749 367 L CB -0.268 41.754 42.059 -0.062 0.000 0.901 367 L HN 0.120 nan 8.230 nan 0.000 0.433 368 I N -0.142 120.461 120.570 0.055 0.000 2.142 368 I HA -0.296 3.955 4.170 0.135 0.000 0.240 368 I C 2.251 178.435 176.117 0.112 0.000 1.078 368 I CA 1.231 62.579 61.300 0.080 0.000 1.343 368 I CB -0.423 37.587 38.000 0.016 0.000 1.046 368 I HN 0.318 nan 8.210 nan 0.000 0.405 369 N N 0.936 119.673 118.700 0.062 0.000 2.166 369 N HA -0.112 4.709 4.740 0.135 0.000 0.186 369 N C 1.721 177.273 175.510 0.069 0.000 1.019 369 N CA 1.628 54.713 53.050 0.057 0.000 0.856 369 N CB -0.485 38.021 38.487 0.032 0.000 0.993 369 N HN 0.427 nan 8.380 nan 0.000 0.426 370 G N -1.143 107.698 108.800 0.068 0.000 2.985 370 G HA2 -0.058 3.983 3.960 0.135 0.000 0.209 370 G HA3 -0.058 3.983 3.960 0.135 0.000 0.209 370 G C 1.102 176.048 174.900 0.077 0.000 1.165 370 G CA -0.424 44.708 45.100 0.052 0.000 0.776 370 G HN 0.229 nan 8.290 nan 0.000 0.541 371 F N 1.841 121.776 119.950 -0.024 0.000 2.187 371 F HA 0.174 4.780 4.527 0.133 0.000 0.295 371 F C 2.662 178.423 175.800 -0.065 0.000 1.091 371 F CA 1.153 59.118 58.000 -0.059 0.000 1.308 371 F CB 0.179 39.157 39.000 -0.037 0.000 1.030 371 F HN 0.197 nan 8.300 nan 0.000 0.487 372 A N 0.310 123.121 122.820 -0.015 0.000 1.948 372 A HA -0.204 4.197 4.320 0.135 0.000 0.220 372 A C 1.936 179.423 177.584 -0.161 0.000 1.177 372 A CA 1.826 53.807 52.037 -0.093 0.000 0.636 372 A CB -1.092 17.908 19.000 0.001 0.000 0.815 372 A HN 0.427 nan 8.150 nan 0.000 0.449 373 L N -0.918 120.232 121.223 -0.122 0.000 2.376 373 L HA 0.009 4.430 4.340 0.135 0.000 0.219 373 L C 2.391 179.169 176.870 -0.153 0.000 1.133 373 L CA 1.139 55.917 54.840 -0.104 0.000 0.816 373 L CB -0.390 41.638 42.059 -0.052 0.000 0.933 373 L HN 0.294 nan 8.230 nan 0.000 0.449 374 R N -0.475 119.866 120.500 -0.264 0.000 2.316 374 R HA 0.059 4.480 4.340 0.135 0.000 0.202 374 R C 0.293 176.424 176.300 -0.283 0.000 1.029 374 R CA 0.590 56.515 56.100 -0.291 0.000 1.018 374 R CB 0.027 30.073 30.300 -0.424 0.000 0.888 374 R HN 0.320 nan 8.270 nan 0.000 0.471 375 L N -0.679 120.381 121.223 -0.273 0.000 3.291 375 L HA 0.235 4.655 4.340 0.135 0.000 0.307 375 L C -0.054 176.745 176.870 -0.119 0.000 1.303 375 L CA -0.373 54.351 54.840 -0.194 0.000 0.949 375 L CB 1.052 42.976 42.059 -0.226 0.000 1.375 375 L HN -0.170 nan 8.230 nan 0.000 0.596 376 D N 0.872 121.214 120.400 -0.096 0.000 2.312 376 D HA -0.027 4.694 4.640 0.135 0.000 0.211 376 D C 0.927 177.202 176.300 -0.043 0.000 0.964 376 D CA 0.832 54.795 54.000 -0.061 0.000 0.877 376 D CB 0.427 41.197 40.800 -0.050 0.000 0.924 376 D HN 0.464 nan 8.370 nan 0.000 0.515 377 S N -1.783 113.890 115.700 -0.044 0.000 2.564 377 S HA 0.313 4.864 4.470 0.135 0.000 0.274 377 S C 0.554 175.140 174.600 -0.022 0.000 1.124 377 S CA -0.933 57.251 58.200 -0.027 0.000 0.869 377 S CB 1.610 64.797 63.200 -0.022 0.000 1.105 377 S HN -0.061 nan 8.310 nan 0.000 0.472 378 N N 0.936 119.631 118.700 -0.008 0.000 2.094 378 N HA -0.222 4.598 4.740 0.135 0.000 0.191 378 N C 2.007 177.517 175.510 0.001 0.000 1.023 378 N CA 1.458 54.510 53.050 0.002 0.000 0.857 378 N CB -0.378 38.118 38.487 0.015 0.000 1.013 378 N HN 0.769 nan 8.380 nan 0.000 0.426 379 A N 1.856 124.674 122.820 -0.003 0.000 1.851 379 A HA -0.194 4.207 4.320 0.135 0.000 0.216 379 A C 2.100 179.674 177.584 -0.016 0.000 1.195 379 A CA 1.476 53.510 52.037 -0.005 0.000 0.622 379 A CB -0.530 18.466 19.000 -0.006 0.000 0.831 379 A HN 0.179 nan 8.150 nan 0.000 0.444 380 K N -0.628 119.755 120.400 -0.028 0.000 2.044 380 K HA -0.153 4.248 4.320 0.135 0.000 0.210 380 K C 1.832 178.402 176.600 -0.049 0.000 1.049 380 K CA 1.826 58.086 56.287 -0.046 0.000 0.927 380 K CB -0.424 32.037 32.500 -0.066 0.000 0.713 380 K HN 0.571 nan 8.250 nan 0.000 0.443 381 I N 1.074 121.619 120.570 -0.042 0.000 2.179 381 I HA -0.293 3.958 4.170 0.135 0.000 0.242 381 I C 2.333 178.441 176.117 -0.015 0.000 1.088 381 I CA 0.784 62.064 61.300 -0.033 0.000 1.357 381 I CB -0.277 37.709 38.000 -0.023 0.000 1.051 381 I HN 0.247 nan 8.210 nan 0.000 0.409 382 L N 1.001 122.221 121.223 -0.004 0.000 2.043 382 L HA -0.210 4.211 4.340 0.135 0.000 0.212 382 L C 2.313 179.178 176.870 -0.008 0.000 1.075 382 L CA 2.507 57.350 54.840 0.006 0.000 0.752 382 L CB -1.293 40.774 42.059 0.014 0.000 0.891 382 L HN 0.339 nan 8.230 nan 0.000 0.432 383 G N -1.355 107.436 108.800 -0.015 0.000 2.403 383 G HA2 -0.228 3.813 3.960 0.135 0.000 0.216 383 G HA3 -0.228 3.813 3.960 0.135 0.000 0.216 383 G C 1.392 176.280 174.900 -0.018 0.000 1.154 383 G CA 0.031 45.120 45.100 -0.018 0.000 0.784 383 G HN 0.364 nan 8.290 nan 0.000 0.538 384 Q N 0.214 120.000 119.800 -0.024 0.000 2.079 384 Q HA -0.022 4.399 4.340 0.135 0.000 0.200 384 Q C 2.865 178.852 176.000 -0.022 0.000 0.974 384 Q CA 0.921 56.713 55.803 -0.017 0.000 0.840 384 Q CB -0.465 28.256 28.738 -0.028 0.000 0.898 384 Q HN 0.415 nan 8.270 nan 0.000 0.430 385 V N 0.626 120.521 119.914 -0.032 0.000 3.129 385 V HA -0.054 4.147 4.120 0.135 0.000 0.259 385 V C 2.136 178.134 176.094 -0.160 0.000 1.116 385 V CA 1.124 63.382 62.300 -0.069 0.000 1.127 385 V CB -0.661 31.156 31.823 -0.010 0.000 0.742 385 V HN 0.226 nan 8.190 nan 0.000 0.474 386 A N -0.038 122.726 122.820 -0.094 0.000 1.968 386 A HA -0.066 4.335 4.320 0.135 0.000 0.217 386 A C 2.333 179.881 177.584 -0.061 0.000 1.169 386 A CA 1.584 53.563 52.037 -0.096 0.000 0.638 386 A CB -0.336 18.631 19.000 -0.056 0.000 0.812 386 A HN 0.321 nan 8.150 nan 0.000 0.446 387 V N 0.740 120.649 119.914 -0.008 0.000 2.255 387 V HA -0.234 3.967 4.120 0.135 0.000 0.243 387 V C 2.527 178.652 176.094 0.051 0.000 1.038 387 V CA 1.989 64.360 62.300 0.118 0.000 1.008 387 V CB -0.873 30.994 31.823 0.072 0.000 0.645 387 V HN 0.766 nan 8.190 nan 0.000 0.449 388 I N 0.539 121.041 120.570 -0.112 0.000 2.361 388 I HA -0.028 4.223 4.170 0.135 0.000 0.251 388 I C 2.262 178.225 176.117 -0.256 0.000 1.133 388 I CA 2.205 63.394 61.300 -0.185 0.000 1.413 388 I CB -1.335 36.575 38.000 -0.150 0.000 1.073 388 I HN 0.133 nan 8.210 nan 0.000 0.424 389 G N -0.051 108.450 108.800 -0.499 0.000 2.433 389 G HA2 -0.308 3.733 3.960 0.135 0.000 0.216 389 G HA3 -0.308 3.733 3.960 0.135 0.000 0.216 389 G C 1.701 176.456 174.900 -0.242 0.000 1.186 389 G CA 1.093 45.687 45.100 -0.844 0.000 0.779 389 G HN 0.562 nan 8.290 nan 0.000 0.543 390 Y N -0.035 120.111 120.300 -0.257 0.000 2.337 390 Y HA 0.122 4.751 4.550 0.130 0.000 0.293 390 Y C 1.738 177.481 175.900 -0.261 0.000 1.123 390 Y CA 0.689 58.635 58.100 -0.257 0.000 1.201 390 Y CB 0.152 38.399 38.460 -0.355 0.000 1.011 390 Y HN 0.224 nan 8.280 nan 0.000 0.545 391 Y N 0.309 120.572 120.300 -0.062 0.000 2.470 391 Y HA 0.280 4.906 4.550 0.126 0.000 0.284 391 Y C 1.732 177.561 175.900 -0.120 0.000 1.188 391 Y CA 0.120 58.162 58.100 -0.097 0.000 1.269 391 Y CB -0.031 38.422 38.460 -0.012 0.000 1.094 391 Y HN 0.227 nan 8.280 nan 0.000 0.518 392 G N 0.749 109.534 108.800 -0.025 0.000 2.203 392 G HA2 -0.308 3.733 3.960 0.135 0.000 0.263 392 G HA3 -0.308 3.733 3.960 0.135 0.000 0.263 392 G C 0.246 175.140 174.900 -0.010 0.000 1.012 392 G CA 0.186 45.276 45.100 -0.017 0.000 0.749 392 G HN 0.329 nan 8.290 nan 0.000 0.512 393 L N -0.030 121.168 121.223 -0.042 0.000 2.476 393 L HA 0.324 4.745 4.340 0.135 0.000 0.264 393 L C -1.424 175.444 176.870 -0.003 0.000 1.224 393 L CA -1.713 53.083 54.840 -0.073 0.000 0.821 393 L CB -0.067 41.841 42.059 -0.251 0.000 1.101 393 L HN -0.024 nan 8.230 nan 0.000 0.488 394 P HA 0.097 nan 4.420 nan 0.000 0.279 394 P C 0.510 177.891 177.300 0.135 0.000 1.239 394 P CA -0.611 62.540 63.100 0.086 0.000 0.789 394 P CB 0.604 32.369 31.700 0.108 0.000 0.933 395 L N 1.656 122.950 121.223 0.118 0.000 2.450 395 L HA -0.185 4.236 4.340 0.135 0.000 0.225 395 L C 1.477 178.448 176.870 0.168 0.000 1.145 395 L CA 1.868 56.800 54.840 0.152 0.000 0.801 395 L CB -1.699 40.438 42.059 0.129 0.000 0.924 395 L HN 0.496 nan 8.230 nan 0.000 0.447 396 D N -1.526 118.980 120.400 0.177 0.000 2.347 396 D HA -0.212 4.509 4.640 0.135 0.000 0.213 396 D C 2.154 178.603 176.300 0.248 0.000 0.985 396 D CA 0.171 54.297 54.000 0.210 0.000 0.879 396 D CB 0.075 40.975 40.800 0.168 0.000 0.919 396 D HN 0.302 nan 8.370 nan 0.000 0.526 397 Y N 0.118 120.494 120.300 0.126 0.000 2.181 397 Y HA -0.133 4.499 4.550 0.137 0.000 0.288 397 Y C 1.556 177.573 175.900 0.195 0.000 1.146 397 Y CA 1.226 59.413 58.100 0.146 0.000 1.164 397 Y CB -0.101 38.420 38.460 0.100 0.000 0.982 397 Y HN 0.039 nan 8.280 nan 0.000 0.515 398 L N 0.345 121.697 121.223 0.216 0.000 2.068 398 L HA -0.158 4.263 4.340 0.135 0.000 0.204 398 L C 2.004 178.909 176.870 0.058 0.000 1.076 398 L CA 1.769 56.719 54.840 0.183 0.000 0.753 398 L CB -1.132 41.064 42.059 0.228 0.000 0.910 398 L HN 0.232 nan 8.230 nan 0.000 0.439 399 D N -1.181 119.207 120.400 -0.020 0.000 2.218 399 D HA -0.145 4.576 4.640 0.135 0.000 0.204 399 D C 0.630 176.646 176.300 -0.474 0.000 0.976 399 D CA 1.105 54.967 54.000 -0.229 0.000 0.853 399 D CB -0.020 40.601 40.800 -0.297 0.000 0.939 399 D HN 0.466 nan 8.370 nan 0.000 0.481 400 H N -0.919 118.107 119.070 -0.073 0.000 2.551 400 H HA 0.084 4.721 4.556 0.134 0.000 0.238 400 H C 0.164 175.323 175.328 -0.282 0.000 1.345 400 H CA -0.310 55.643 56.048 -0.158 0.000 1.105 400 H CB 0.064 29.748 29.762 -0.131 0.000 1.805 400 H HN 0.175 nan 8.280 nan 0.000 0.553 401 Y N 1.157 121.204 120.300 -0.422 0.000 2.265 401 Y HA -0.141 4.489 4.550 0.133 0.000 0.290 401 Y C 2.659 178.216 175.900 -0.571 0.000 1.137 401 Y CA 1.565 59.316 58.100 -0.582 0.000 1.147 401 Y CB -0.007 37.909 38.460 -0.907 0.000 1.104 401 Y HN 0.208 nan 8.280 nan 0.000 0.514 402 T N 0.036 114.389 114.554 -0.335 0.000 2.680 402 T HA -0.364 4.067 4.350 0.135 0.000 0.268 402 T C 1.792 176.311 174.700 -0.301 0.000 1.033 402 T CA 2.362 64.301 62.100 -0.268 0.000 1.152 402 T CB -0.572 68.203 68.868 -0.155 0.000 0.859 402 T HN 0.640 nan 8.240 nan 0.000 0.452 403 E N -0.225 119.807 120.200 -0.279 0.000 2.085 403 E HA -0.155 4.276 4.350 0.135 0.000 0.194 403 E C 2.455 178.836 176.600 -0.367 0.000 0.994 403 E CA 1.126 57.384 56.400 -0.238 0.000 0.801 403 E CB -0.052 29.571 29.700 -0.128 0.000 0.743 403 E HN 0.561 nan 8.360 nan 0.000 0.453 404 R N -0.265 119.850 120.500 -0.642 0.000 2.236 404 R HA 0.009 4.430 4.340 0.135 0.000 0.208 404 R C 2.281 178.083 176.300 -0.831 0.000 1.036 404 R CA 0.618 56.173 56.100 -0.907 0.000 1.001 404 R CB 0.185 29.513 30.300 -1.621 0.000 0.896 404 R HN 0.123 nan 8.270 nan 0.000 0.464 405 V N 0.935 120.448 119.914 -0.669 0.000 2.379 405 V HA -0.212 3.989 4.120 0.135 0.000 0.245 405 V C 2.243 178.235 176.094 -0.171 0.000 1.044 405 V CA 1.622 63.745 62.300 -0.295 0.000 1.036 405 V CB -0.322 31.370 31.823 -0.218 0.000 0.664 405 V HN 0.297 nan 8.190 nan 0.000 0.453 406 Q N -0.662 119.028 119.800 -0.182 0.000 2.435 406 Q HA 0.005 4.426 4.340 0.135 0.000 0.207 406 Q C 2.023 177.961 176.000 -0.103 0.000 0.956 406 Q CA 0.964 56.700 55.803 -0.112 0.000 0.917 406 Q CB -0.025 28.654 28.738 -0.098 0.000 0.997 406 Q HN 0.668 nan 8.270 nan 0.000 0.497 407 A N -0.320 122.415 122.820 -0.142 0.000 2.021 407 A HA 0.091 4.492 4.320 0.135 0.000 0.216 407 A C 0.841 178.381 177.584 -0.073 0.000 1.163 407 A CA -0.031 51.938 52.037 -0.113 0.000 0.676 407 A CB 0.063 18.973 19.000 -0.149 0.000 0.818 407 A HN 0.170 nan 8.150 nan 0.000 0.453 408 V N 2.357 122.233 119.914 -0.064 0.000 2.644 408 V HA 0.203 4.404 4.120 0.135 0.000 0.305 408 V C 0.871 176.965 176.094 0.000 0.000 1.053 408 V CA 0.965 63.262 62.300 -0.006 0.000 1.186 408 V CB 0.075 31.921 31.823 0.039 0.000 0.895 408 V HN 0.677 nan 8.190 nan 0.000 0.490 409 T N 1.343 115.901 114.554 0.008 0.000 2.926 409 T HA 0.542 4.973 4.350 0.135 0.000 0.289 409 T C 0.891 175.592 174.700 0.002 0.000 1.054 409 T CA -0.525 61.575 62.100 -0.000 0.000 1.015 409 T CB 1.597 70.459 68.868 -0.011 0.000 1.167 409 T HN 0.085 nan 8.240 nan 0.000 0.526 410 V N 1.099 121.004 119.914 -0.016 0.000 2.255 410 V HA -0.153 4.047 4.120 0.135 0.000 0.247 410 V C 2.334 178.402 176.094 -0.042 0.000 1.051 410 V CA 1.954 64.229 62.300 -0.041 0.000 1.018 410 V CB -0.967 30.823 31.823 -0.055 0.000 0.641 410 V HN 0.956 nan 8.190 nan 0.000 0.445 411 E N -0.313 119.869 120.200 -0.031 0.000 2.520 411 E HA -0.136 4.295 4.350 0.135 0.000 0.201 411 E C 1.662 178.257 176.600 -0.008 0.000 1.122 411 E CA 0.332 56.716 56.400 -0.027 0.000 0.896 411 E CB -0.058 29.627 29.700 -0.024 0.000 0.891 411 E HN 0.709 nan 8.360 nan 0.000 0.533 412 Q N -0.573 119.231 119.800 0.006 0.000 2.532 412 Q HA 0.025 4.446 4.340 0.135 0.000 0.247 412 Q C 2.223 178.266 176.000 0.073 0.000 0.872 412 Q CA 0.091 55.914 55.803 0.033 0.000 0.963 412 Q CB 0.512 29.271 28.738 0.036 0.000 1.159 412 Q HN 0.076 nan 8.270 nan 0.000 0.598 413 V N 1.836 121.798 119.914 0.080 0.000 2.282 413 V HA -0.333 3.868 4.120 0.135 0.000 0.249 413 V C 2.174 178.374 176.094 0.176 0.000 1.057 413 V CA 2.154 64.549 62.300 0.158 0.000 1.032 413 V CB -0.562 31.297 31.823 0.059 0.000 0.645 413 V HN 0.279 nan 8.190 nan 0.000 0.447 414 R N -0.165 120.345 120.500 0.016 0.000 2.070 414 R HA -0.161 4.260 4.340 0.135 0.000 0.233 414 R C 2.348 178.688 176.300 0.067 0.000 1.137 414 R CA 1.772 57.866 56.100 -0.010 0.000 0.945 414 R CB -0.407 29.846 30.300 -0.078 0.000 0.845 414 R HN 0.583 nan 8.270 nan 0.000 0.430 415 E N 0.312 120.537 120.200 0.041 0.000 2.204 415 E HA -0.162 4.269 4.350 0.135 0.000 0.195 415 E C 1.952 178.565 176.600 0.020 0.000 0.990 415 E CA 0.959 57.371 56.400 0.021 0.000 0.821 415 E CB -0.004 29.698 29.700 0.003 0.000 0.750 415 E HN 0.378 nan 8.360 nan 0.000 0.477 416 A N 0.807 123.672 122.820 0.075 0.000 1.840 416 A HA -0.134 4.267 4.320 0.135 0.000 0.214 416 A C 1.882 179.507 177.584 0.069 0.000 1.198 416 A CA 0.927 53.001 52.037 0.062 0.000 0.608 416 A CB -0.865 18.204 19.000 0.116 0.000 0.839 416 A HN 0.173 nan 8.150 nan 0.000 0.443 417 F N 0.409 120.390 119.950 0.050 0.000 2.126 417 F HA -0.194 4.415 4.527 0.138 0.000 0.299 417 F C 2.813 178.630 175.800 0.028 0.000 1.096 417 F CA 1.327 59.373 58.000 0.076 0.000 1.255 417 F CB -0.254 38.812 39.000 0.109 0.000 0.997 417 F HN 0.268 nan 8.300 nan 0.000 0.479 418 A N -0.307 122.618 122.820 0.175 0.000 1.978 418 A HA -0.180 4.221 4.320 0.135 0.000 0.220 418 A C 2.109 179.693 177.584 0.002 0.000 1.170 418 A CA 1.528 53.609 52.037 0.073 0.000 0.636 418 A CB -0.515 18.506 19.000 0.036 0.000 0.810 418 A HN 0.364 nan 8.150 nan 0.000 0.448 419 R N -2.244 118.207 120.500 -0.082 0.000 2.334 419 R HA 0.137 4.558 4.340 0.135 0.000 0.216 419 R C 1.041 177.165 176.300 -0.294 0.000 0.905 419 R CA 0.239 56.216 56.100 -0.204 0.000 1.064 419 R CB 0.121 30.244 30.300 -0.295 0.000 1.046 419 R HN 0.588 nan 8.270 nan 0.000 0.508 420 H N -1.403 117.644 119.070 -0.037 0.000 2.258 420 H HA 0.211 4.849 4.556 0.137 0.000 0.250 420 H C 0.124 175.416 175.328 -0.060 0.000 0.908 420 H CA 0.447 56.452 56.048 -0.072 0.000 1.096 420 H CB 0.587 30.250 29.762 -0.165 0.000 1.422 420 H HN -0.221 nan 8.280 nan 0.000 0.469 421 V N 5.411 125.352 119.914 0.046 0.000 2.258 421 V HA 0.115 4.316 4.120 0.135 0.000 0.258 421 V C 0.021 176.156 176.094 0.068 0.000 1.121 421 V CA -0.584 61.713 62.300 -0.006 0.000 0.942 421 V CB 0.111 31.815 31.823 -0.198 0.000 1.170 421 V HN 0.141 nan 8.190 nan 0.000 0.487 422 K N 4.642 125.079 120.400 0.062 0.000 2.298 422 K HA 0.225 4.626 4.320 0.135 0.000 0.280 422 K C 1.370 178.010 176.600 0.067 0.000 1.032 422 K CA -0.523 55.799 56.287 0.058 0.000 0.958 422 K CB 1.305 33.829 32.500 0.040 0.000 0.978 422 K HN 0.558 nan 8.250 nan 0.000 0.472 423 R N 2.800 123.339 120.500 0.066 0.000 2.152 423 R HA -0.180 4.240 4.340 0.135 0.000 0.232 423 R C 1.087 177.419 176.300 0.053 0.000 1.117 423 R CA 1.811 57.951 56.100 0.068 0.000 0.981 423 R CB -0.240 30.095 30.300 0.059 0.000 0.870 423 R HN 0.793 nan 8.270 nan 0.000 0.451 424 E N 0.342 120.566 120.200 0.040 0.000 2.358 424 E HA -0.047 4.384 4.350 0.135 0.000 0.195 424 E C 0.543 177.156 176.600 0.022 0.000 1.010 424 E CA 0.603 57.020 56.400 0.028 0.000 0.856 424 E CB -0.060 29.653 29.700 0.021 0.000 0.795 424 E HN 0.325 nan 8.360 nan 0.000 0.504 425 N N 0.584 119.299 118.700 0.025 0.000 2.187 425 N HA 0.172 4.993 4.740 0.135 0.000 0.212 425 N C -0.392 175.122 175.510 0.006 0.000 1.152 425 N CA 0.017 53.072 53.050 0.008 0.000 0.872 425 N CB 0.709 39.199 38.487 0.005 0.000 1.025 425 N HN 0.152 nan 8.380 nan 0.000 0.514 426 L N 1.862 123.106 121.223 0.035 0.000 2.407 426 L HA 0.283 4.703 4.340 0.135 0.000 0.282 426 L C 0.227 177.111 176.870 0.023 0.000 1.110 426 L CA -0.207 54.666 54.840 0.056 0.000 0.863 426 L CB 0.234 42.358 42.059 0.108 0.000 1.207 426 L HN -0.115 nan 8.230 nan 0.000 0.454 427 I N 2.741 123.290 120.570 -0.036 0.000 2.588 427 I HA 0.087 4.337 4.170 0.135 0.000 0.283 427 I C 0.709 176.841 176.117 0.025 0.000 1.119 427 I CA 0.608 61.856 61.300 -0.086 0.000 1.419 427 I CB 1.066 38.882 38.000 -0.306 0.000 1.394 427 I HN 0.499 nan 8.210 nan 0.000 0.562 428 T N 6.074 120.659 114.554 0.053 0.000 2.937 428 T HA 0.591 5.022 4.350 0.135 0.000 0.297 428 T C -1.084 173.681 174.700 0.109 0.000 0.991 428 T CA -0.493 61.679 62.100 0.120 0.000 0.990 428 T CB 0.785 69.713 68.868 0.100 0.000 0.991 428 T HN 0.243 nan 8.240 nan 0.000 0.440 429 V N 6.081 126.090 119.914 0.159 0.000 2.487 429 V HA 0.678 4.879 4.120 0.135 0.000 0.298 429 V C -0.165 175.964 176.094 0.060 0.000 1.028 429 V CA -0.591 61.780 62.300 0.119 0.000 0.860 429 V CB 1.796 33.730 31.823 0.186 0.000 0.991 429 V HN 0.850 nan 8.190 nan 0.000 0.427 430 V N 5.056 124.990 119.914 0.033 0.000 3.103 430 V HA 0.683 4.884 4.120 0.135 0.000 0.318 430 V C -0.093 176.006 176.094 0.008 0.000 1.114 430 V CA -0.628 61.673 62.300 0.002 0.000 1.020 430 V CB 2.253 34.080 31.823 0.008 0.000 1.085 430 V HN 0.557 nan 8.190 nan 0.000 0.446 431 V N 0.000 119.916 119.914 0.003 0.000 2.409 431 V HA 0.000 4.201 4.120 0.135 0.000 0.244 431 V CA 0.000 62.307 62.300 0.011 0.000 1.235 431 V CB 0.000 31.836 31.823 0.022 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556