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 2jdi_1_B DATA FIRST_RESID 23 DATA SEQUENCE VDLEETGRVL SIGDGIARVH GLRNVQAEEM VEFSSGLKGM SLNLEPDNVG DATA SEQUENCE VVVFGNDKLI KEGDIVKRTG AIVDVPVGEE LLGRVVDALG NAIDGKGPIG DATA SEQUENCE SKARRRVGLK APGIIPRISV REPMQTGIKA VDSLVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTSIAIDT IINQKRFNDG TDEKKKLYCI YVAIGQKRST VAQLVKRLTD DATA SEQUENCE ADAMKYTIVV SATASDAAPL QYLAPYSGCS MGEYFRDNGK HALIIYDDLS DATA SEQUENCE KQAVAYRQMS LLLRRPPGRE AYPGDVFYLH SRLLERAAKM NDAFGGGSLT DATA SEQUENCE ALPVIETQAG DVSAYIPTNV ISITDGQIFL ETELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQTRA MKQVAGTMKL ELAQYREVAX XXXXXXXLDA ATQQLLSRGV DATA SEQUENCE RLTELLKQGQ YSPMAIEEQV AVIYAGVRGY LDKLEPSKIT KFENAFLSHV DATA SEQUENCE ISQHQALLGK IRTDGKISEE SDAKLKEIVT NFLAGFEA 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.102 176.094 0.013 0.000 1.182 23 V CA 0.000 62.309 62.300 0.015 0.000 1.235 23 V CB 0.000 31.829 31.823 0.010 0.000 1.184 24 D N 1.680 122.083 120.400 0.006 0.000 2.416 24 D HA 0.323 4.963 4.640 0.000 0.000 0.240 24 D C 1.047 177.344 176.300 -0.004 0.000 1.250 24 D CA 0.162 54.161 54.000 -0.001 0.000 0.967 24 D CB 0.787 41.584 40.800 -0.006 0.000 1.059 24 D HN 0.532 nan 8.370 nan 0.000 0.512 25 L N 2.500 123.721 121.223 -0.003 0.000 2.551 25 L HA -0.031 4.309 4.340 0.000 0.000 0.228 25 L C 2.005 178.851 176.870 -0.039 0.000 1.153 25 L CA 0.556 55.387 54.840 -0.016 0.000 0.851 25 L CB 0.096 42.147 42.059 -0.012 0.000 0.959 25 L HN 0.348 nan 8.230 nan 0.000 0.451 26 E N -0.296 119.887 120.200 -0.029 0.000 2.086 26 E HA -0.093 4.257 4.350 0.000 0.000 0.190 26 E C 1.418 177.997 176.600 -0.035 0.000 0.975 26 E CA 0.632 57.012 56.400 -0.033 0.000 0.813 26 E CB 0.302 29.988 29.700 -0.023 0.000 0.768 26 E HN 0.343 nan 8.360 nan 0.000 0.457 27 E N -0.011 120.171 120.200 -0.030 0.000 2.489 27 E HA 0.143 4.493 4.350 0.000 0.000 0.204 27 E C -0.072 176.504 176.600 -0.040 0.000 1.006 27 E CA 0.343 56.724 56.400 -0.031 0.000 0.936 27 E CB 1.446 31.132 29.700 -0.023 0.000 1.002 27 E HN -0.000 nan 8.360 nan 0.000 0.488 28 T N -0.289 114.242 114.554 -0.039 0.000 2.900 28 T HA 0.690 5.040 4.350 0.000 0.000 0.303 28 T C -0.166 174.511 174.700 -0.039 0.000 1.142 28 T CA -0.589 61.486 62.100 -0.042 0.000 1.007 28 T CB 2.368 71.222 68.868 -0.024 0.000 1.156 28 T HN 0.111 nan 8.240 nan 0.000 0.490 29 G N 0.796 109.569 108.800 -0.045 0.000 2.766 29 G HA2 0.782 4.742 3.960 0.000 0.000 0.288 29 G HA3 0.782 4.742 3.960 0.000 0.000 0.288 29 G C -1.707 173.198 174.900 0.008 0.000 1.408 29 G CA -1.113 43.978 45.100 -0.016 0.000 0.852 29 G HN 0.837 nan 8.290 nan 0.000 0.487 30 R N -0.732 119.804 120.500 0.060 0.000 2.628 30 R HA 0.655 4.995 4.340 0.000 0.000 0.288 30 R C -1.123 175.226 176.300 0.082 0.000 0.980 30 R CA -0.789 55.348 56.100 0.063 0.000 0.891 30 R CB 2.022 32.358 30.300 0.060 0.000 1.188 30 R HN 0.284 nan 8.270 nan 0.000 0.450 31 V N 4.856 124.825 119.914 0.090 0.000 2.493 31 V HA -0.045 4.075 4.120 0.000 0.000 0.292 31 V C 1.342 177.481 176.094 0.074 0.000 1.016 31 V CA 0.310 62.676 62.300 0.111 0.000 1.097 31 V CB 0.335 32.247 31.823 0.149 0.000 0.947 31 V HN 0.762 nan 8.190 nan 0.000 0.479 32 L N 3.844 125.109 121.223 0.070 0.000 2.168 32 L HA 0.148 4.488 4.340 0.000 0.000 0.203 32 L C 0.924 177.813 176.870 0.032 0.000 1.078 32 L CA 0.859 55.726 54.840 0.045 0.000 0.780 32 L CB 0.145 42.236 42.059 0.053 0.000 0.939 32 L HN 0.854 nan 8.230 nan 0.000 0.451 33 S N -1.070 114.652 115.700 0.037 0.000 2.550 33 S HA 0.659 5.129 4.470 0.000 0.000 0.270 33 S C -1.070 173.543 174.600 0.021 0.000 1.145 33 S CA -0.758 57.455 58.200 0.021 0.000 0.852 33 S CB 2.667 65.875 63.200 0.013 0.000 1.119 33 S HN 0.010 nan 8.310 nan 0.000 0.465 34 I N 0.541 121.112 120.570 0.002 0.000 2.649 34 I HA 0.775 4.945 4.170 0.000 0.000 0.289 34 I C 0.126 176.227 176.117 -0.027 0.000 1.222 34 I CA 0.229 61.518 61.300 -0.018 0.000 1.046 34 I CB 1.508 39.487 38.000 -0.034 0.000 1.272 34 I HN 1.046 nan 8.210 nan 0.000 0.425 35 G N 4.492 113.271 108.800 -0.034 0.000 3.408 35 G HA2 0.135 4.095 3.960 0.000 0.000 0.214 35 G HA3 0.135 4.095 3.960 0.000 0.000 0.214 35 G C -0.557 174.321 174.900 -0.036 0.000 1.557 35 G CA -0.094 44.988 45.100 -0.031 0.000 0.801 35 G HN 0.443 nan 8.290 nan 0.000 0.883 36 D N 1.016 121.392 120.400 -0.040 0.000 2.749 36 D HA 0.431 5.071 4.640 0.000 0.000 0.338 36 D C 1.265 177.532 176.300 -0.055 0.000 1.236 36 D CA 0.334 54.307 54.000 -0.044 0.000 0.845 36 D CB 0.390 41.165 40.800 -0.042 0.000 1.080 36 D HN 0.618 nan 8.370 nan 0.000 0.497 37 G N 0.916 109.679 108.800 -0.061 0.000 2.228 37 G HA2 -0.288 3.672 3.960 0.000 0.000 0.270 37 G HA3 -0.288 3.672 3.960 0.000 0.000 0.270 37 G C 0.438 175.284 174.900 -0.090 0.000 0.976 37 G CA -0.033 45.022 45.100 -0.074 0.000 0.636 37 G HN 0.480 nan 8.290 nan 0.000 0.542 38 I N 1.097 121.624 120.570 -0.072 0.000 2.465 38 I HA 0.611 4.781 4.170 0.000 0.000 0.291 38 I C 0.357 176.456 176.117 -0.030 0.000 1.014 38 I CA -0.534 60.732 61.300 -0.056 0.000 1.093 38 I CB 1.859 39.829 38.000 -0.050 0.000 1.267 38 I HN 0.242 nan 8.210 nan 0.000 0.431 39 A N 7.737 130.561 122.820 0.007 0.000 2.290 39 A HA 0.656 4.976 4.320 0.000 0.000 0.310 39 A C -0.335 177.292 177.584 0.071 0.000 1.202 39 A CA -0.680 51.395 52.037 0.065 0.000 0.837 39 A CB 0.670 19.783 19.000 0.188 0.000 1.139 39 A HN 0.606 nan 8.150 nan 0.000 0.509 40 R N 1.734 122.269 120.500 0.059 0.000 2.229 40 R HA 0.492 4.832 4.340 0.000 0.000 0.328 40 R C -1.215 175.127 176.300 0.070 0.000 1.009 40 R CA -0.346 55.784 56.100 0.051 0.000 0.864 40 R CB 1.289 31.611 30.300 0.036 0.000 1.085 40 R HN 0.441 nan 8.270 nan 0.000 0.453 41 V N 3.342 123.292 119.914 0.059 0.000 2.487 41 V HA 0.171 4.291 4.120 0.000 0.000 0.298 41 V C -0.144 175.987 176.094 0.061 0.000 1.028 41 V CA -0.976 61.360 62.300 0.060 0.000 0.860 41 V CB 1.598 33.429 31.823 0.013 0.000 0.991 41 V HN 0.711 nan 8.190 nan 0.000 0.427 42 H N 3.141 122.210 119.070 -0.003 0.000 2.582 42 H HA 0.631 5.187 4.556 0.000 0.000 0.345 42 H C 0.670 175.989 175.328 -0.015 0.000 1.104 42 H CA 1.644 57.688 56.048 -0.007 0.000 1.390 42 H CB 1.106 30.866 29.762 -0.002 0.000 1.461 42 H HN 1.082 nan 8.280 nan 0.000 0.551 43 G N 2.850 111.338 108.800 -0.521 0.000 2.520 43 G HA2 -0.255 3.705 3.960 0.000 0.000 0.248 43 G HA3 -0.255 3.705 3.960 0.000 0.000 0.248 43 G C 0.034 174.838 174.900 -0.161 0.000 1.161 43 G CA -0.343 44.578 45.100 -0.297 0.000 0.946 43 G HN 1.172 nan 8.290 nan 0.000 0.565 44 L N -0.055 121.108 121.223 -0.100 0.000 3.829 44 L HA -0.242 4.098 4.340 0.000 0.000 0.440 44 L C 2.324 179.150 176.870 -0.074 0.000 1.192 44 L CA 0.863 55.656 54.840 -0.079 0.000 0.848 44 L CB -0.780 41.231 42.059 -0.079 0.000 1.744 44 L HN 0.633 nan 8.230 nan 0.000 0.920 45 R N 0.024 120.478 120.500 -0.077 0.000 2.139 45 R HA -0.122 4.218 4.340 0.000 0.000 0.243 45 R C 1.389 177.662 176.300 -0.045 0.000 1.145 45 R CA 1.642 57.702 56.100 -0.066 0.000 0.976 45 R CB -0.483 29.780 30.300 -0.061 0.000 0.866 45 R HN 0.568 nan 8.270 nan 0.000 0.449 46 N N 0.101 118.777 118.700 -0.039 0.000 2.322 46 N HA 0.006 4.746 4.740 0.000 0.000 0.194 46 N C -0.052 175.442 175.510 -0.026 0.000 1.126 46 N CA -0.045 52.987 53.050 -0.028 0.000 0.845 46 N CB 0.359 38.832 38.487 -0.023 0.000 0.976 46 N HN -0.074 nan 8.380 nan 0.000 0.475 47 V N 1.345 121.240 119.914 -0.033 0.000 2.740 47 V HA -0.007 4.113 4.120 0.000 0.000 0.303 47 V C 0.220 176.303 176.094 -0.018 0.000 1.054 47 V CA -0.083 62.200 62.300 -0.029 0.000 1.106 47 V CB 0.781 32.581 31.823 -0.039 0.000 0.957 47 V HN 0.252 nan 8.190 nan 0.000 0.486 48 Q N 3.962 123.756 119.800 -0.010 0.000 2.260 48 Q HA 0.597 4.937 4.340 0.000 0.000 0.242 48 Q C 0.156 176.158 176.000 0.003 0.000 0.932 48 Q CA -0.240 55.562 55.803 -0.002 0.000 0.891 48 Q CB 1.237 29.977 28.738 0.004 0.000 1.222 48 Q HN 0.979 nan 8.270 nan 0.000 0.453 49 A N 2.179 125.003 122.820 0.007 0.000 2.548 49 A HA -0.019 4.301 4.320 0.000 0.000 0.247 49 A C 0.153 177.751 177.584 0.024 0.000 1.067 49 A CA 0.367 52.412 52.037 0.015 0.000 0.757 49 A CB -0.289 18.721 19.000 0.017 0.000 0.996 49 A HN 0.966 nan 8.150 nan 0.000 0.504 50 E N -0.451 119.769 120.200 0.033 0.000 3.070 50 E HA -0.209 4.141 4.350 0.000 0.000 0.285 50 E C 0.136 176.770 176.600 0.056 0.000 0.972 50 E CA 1.178 57.609 56.400 0.051 0.000 0.915 50 E CB -1.356 28.372 29.700 0.047 0.000 1.466 50 E HN 0.926 nan 8.360 nan 0.000 0.432 51 E N 0.670 120.894 120.200 0.040 0.000 2.354 51 E HA 0.259 4.609 4.350 0.000 0.000 0.269 51 E C -0.006 176.630 176.600 0.060 0.000 1.036 51 E CA -0.426 55.997 56.400 0.039 0.000 0.876 51 E CB 0.670 30.379 29.700 0.014 0.000 1.009 51 E HN 0.064 nan 8.360 nan 0.000 0.416 52 M N 5.023 124.670 119.600 0.078 0.000 2.228 52 M HA 0.131 4.611 4.480 0.000 0.000 0.351 52 M C -1.045 175.284 176.300 0.048 0.000 1.233 52 M CA -0.140 55.227 55.300 0.111 0.000 1.129 52 M CB 0.787 33.463 32.600 0.127 0.000 1.604 52 M HN 0.324 nan 8.290 nan 0.000 0.457 53 V N 1.732 121.664 119.914 0.029 0.000 2.960 53 V HA 0.731 4.851 4.120 0.000 0.000 0.315 53 V C -0.936 175.120 176.094 -0.064 0.000 1.087 53 V CA -0.911 61.346 62.300 -0.073 0.000 0.982 53 V CB 1.858 33.565 31.823 -0.195 0.000 1.039 53 V HN 0.882 nan 8.190 nan 0.000 0.437 54 E N 1.127 121.252 120.200 -0.126 0.000 2.199 54 E HA 0.551 4.901 4.350 0.000 0.000 0.265 54 E C -1.610 174.908 176.600 -0.137 0.000 0.882 54 E CA -0.673 55.708 56.400 -0.032 0.000 0.759 54 E CB 1.578 31.291 29.700 0.022 0.000 1.148 54 E HN 0.613 nan 8.360 nan 0.000 0.412 55 F N 1.661 121.628 119.950 0.028 0.000 2.368 55 F HA 0.126 4.653 4.527 -0.000 0.000 0.315 55 F C 1.954 177.766 175.800 0.021 0.000 1.145 55 F CA -0.042 57.970 58.000 0.020 0.000 1.095 55 F CB 1.197 40.207 39.000 0.017 0.000 1.286 55 F HN 0.501 nan 8.300 nan 0.000 0.530 56 S N 0.212 116.043 115.700 0.219 0.000 2.370 56 S HA -0.193 4.277 4.470 0.000 0.000 0.226 56 S C 2.112 176.780 174.600 0.113 0.000 1.033 56 S CA 1.897 60.172 58.200 0.125 0.000 1.011 56 S CB -0.588 62.676 63.200 0.106 0.000 0.852 56 S HN 0.709 nan 8.310 nan 0.000 0.457 57 S N -0.526 115.254 115.700 0.134 0.000 2.515 57 S HA 0.293 4.763 4.470 0.000 0.000 0.231 57 S C 1.637 176.288 174.600 0.085 0.000 0.987 57 S CA 1.057 59.308 58.200 0.085 0.000 0.936 57 S CB -0.265 62.967 63.200 0.053 0.000 0.766 57 S HN 1.132 nan 8.310 nan 0.000 0.528 58 G N 0.532 109.405 108.800 0.120 0.000 2.253 58 G HA2 -0.179 3.781 3.960 0.000 0.000 0.209 58 G HA3 -0.179 3.781 3.960 0.000 0.000 0.209 58 G C -0.007 174.976 174.900 0.137 0.000 0.997 58 G CA -0.121 45.044 45.100 0.108 0.000 0.640 58 G HN 0.467 nan 8.290 nan 0.000 0.496 59 L N 1.267 122.585 121.223 0.157 0.000 2.483 59 L HA 0.336 4.676 4.340 0.000 0.000 0.275 59 L C 0.690 177.755 176.870 0.325 0.000 1.220 59 L CA -0.023 54.924 54.840 0.177 0.000 0.833 59 L CB 0.415 42.499 42.059 0.041 0.000 1.102 59 L HN 0.016 nan 8.230 nan 0.000 0.490 60 K N 1.472 122.065 120.400 0.320 0.000 2.123 60 K HA 0.695 5.015 4.320 0.000 0.000 0.248 60 K C -0.051 176.808 176.600 0.432 0.000 0.969 60 K CA -0.476 56.043 56.287 0.386 0.000 0.882 60 K CB 1.889 34.610 32.500 0.369 0.000 1.080 60 K HN 0.758 nan 8.250 nan 0.000 0.441 61 G N 0.236 109.253 108.800 0.363 0.000 2.694 61 G HA2 0.577 4.537 3.960 0.000 0.000 0.290 61 G HA3 0.577 4.537 3.960 0.000 0.000 0.290 61 G C -1.484 173.437 174.900 0.034 0.000 1.386 61 G CA -0.713 44.450 45.100 0.105 0.000 0.872 61 G HN 0.460 nan 8.290 nan 0.000 0.475 62 M N 1.173 120.672 119.600 -0.168 0.000 2.227 62 M HA 0.469 4.949 4.480 0.000 0.000 0.335 62 M C -0.332 175.964 176.300 -0.006 0.000 1.053 62 M CA -0.550 54.761 55.300 0.018 0.000 0.973 62 M CB 1.506 34.175 32.600 0.114 0.000 1.623 62 M HN 0.352 nan 8.290 nan 0.000 0.434 63 S N 5.236 120.947 115.700 0.018 0.000 2.465 63 S HA 0.062 4.532 4.470 0.000 0.000 0.307 63 S C 0.556 175.164 174.600 0.013 0.000 1.187 63 S CA -0.450 57.752 58.200 0.004 0.000 1.141 63 S CB 0.178 63.376 63.200 -0.002 0.000 1.108 63 S HN 0.701 nan 8.310 nan 0.000 0.525 64 L N 4.553 125.778 121.223 0.004 0.000 2.185 64 L HA 0.351 4.691 4.340 0.000 0.000 0.198 64 L C 0.575 177.451 176.870 0.010 0.000 1.079 64 L CA 1.291 56.138 54.840 0.011 0.000 0.780 64 L CB -0.170 41.886 42.059 -0.004 0.000 0.955 64 L HN 0.556 nan 8.230 nan 0.000 0.462 65 N N 0.060 118.761 118.700 0.002 0.000 2.444 65 N HA 0.365 5.105 4.740 0.000 0.000 0.262 65 N C -1.403 174.105 175.510 -0.003 0.000 0.974 65 N CA -0.400 52.651 53.050 0.001 0.000 0.933 65 N CB 0.574 39.060 38.487 -0.002 0.000 1.137 65 N HN 0.165 nan 8.380 nan 0.000 0.498 66 L N 3.101 124.323 121.223 -0.002 0.000 2.259 66 L HA 0.369 4.709 4.340 0.000 0.000 0.288 66 L C 0.105 176.970 176.870 -0.009 0.000 1.051 66 L CA -0.237 54.598 54.840 -0.009 0.000 0.824 66 L CB 0.708 42.762 42.059 -0.009 0.000 1.206 66 L HN 0.501 nan 8.230 nan 0.000 0.429 67 E N 3.688 123.881 120.200 -0.012 0.000 2.249 67 E HA 0.308 4.658 4.350 0.000 0.000 0.263 67 E C -1.671 174.920 176.600 -0.015 0.000 0.950 67 E CA -1.818 54.577 56.400 -0.009 0.000 0.827 67 E CB 1.626 31.323 29.700 -0.004 0.000 1.220 67 E HN 0.290 nan 8.360 nan 0.000 0.411 68 P HA -0.183 nan 4.420 nan 0.000 0.216 68 P C 0.400 177.688 177.300 -0.020 0.000 1.150 68 P CA 1.408 64.499 63.100 -0.014 0.000 0.843 68 P CB 0.157 31.854 31.700 -0.005 0.000 0.787 69 D N -2.312 118.083 120.400 -0.010 0.000 2.433 69 D HA 0.063 4.703 4.640 0.000 0.000 0.211 69 D C 0.175 176.474 176.300 -0.002 0.000 1.114 69 D CA -0.171 53.829 54.000 0.000 0.000 0.837 69 D CB -0.640 40.180 40.800 0.033 0.000 0.984 69 D HN 0.358 nan 8.370 nan 0.000 0.505 70 N N -1.533 117.157 118.700 -0.016 0.000 3.046 70 N HA 0.410 5.150 4.740 0.000 0.000 0.243 70 N C -2.020 173.477 175.510 -0.021 0.000 1.452 70 N CA -0.972 52.071 53.050 -0.011 0.000 0.882 70 N CB 1.645 40.147 38.487 0.026 0.000 1.425 70 N HN -0.214 nan 8.380 nan 0.000 0.517 71 V N -0.047 119.857 119.914 -0.016 0.000 2.448 71 V HA 0.766 4.886 4.120 0.000 0.000 0.295 71 V C 0.501 176.595 176.094 0.001 0.000 1.025 71 V CA -0.595 61.696 62.300 -0.015 0.000 0.859 71 V CB 1.288 33.093 31.823 -0.030 0.000 0.988 71 V HN 0.884 nan 8.190 nan 0.000 0.431 72 G N 3.491 112.291 108.800 0.001 0.000 2.333 72 G HA2 0.527 4.487 3.960 0.000 0.000 0.290 72 G HA3 0.527 4.487 3.960 0.000 0.000 0.290 72 G C -0.772 174.130 174.900 0.003 0.000 1.150 72 G CA -0.205 44.897 45.100 0.004 0.000 0.895 72 G HN 0.540 nan 8.290 nan 0.000 0.444 73 V N 3.666 123.594 119.914 0.022 0.000 2.409 73 V HA 0.240 4.360 4.120 0.000 0.000 0.291 73 V C 0.168 176.252 176.094 -0.017 0.000 1.020 73 V CA -0.748 61.571 62.300 0.033 0.000 0.848 73 V CB 1.740 33.644 31.823 0.136 0.000 0.990 73 V HN 0.529 nan 8.190 nan 0.000 0.430 74 V N 6.002 125.850 119.914 -0.111 0.000 2.488 74 V HA 0.245 4.365 4.120 0.000 0.000 0.277 74 V C 0.167 176.021 176.094 -0.400 0.000 1.046 74 V CA -0.261 61.901 62.300 -0.229 0.000 0.986 74 V CB 1.574 33.246 31.823 -0.252 0.000 0.989 74 V HN 0.616 nan 8.190 nan 0.000 0.475 75 V N 6.190 125.913 119.914 -0.318 0.000 2.383 75 V HA 0.330 4.450 4.120 0.000 0.000 0.275 75 V C 0.063 176.004 176.094 -0.254 0.000 1.036 75 V CA -0.273 61.844 62.300 -0.304 0.000 0.889 75 V CB 1.009 32.658 31.823 -0.289 0.000 0.985 75 V HN 0.739 nan 8.190 nan 0.000 0.459 76 F N 4.488 124.474 119.950 0.059 0.000 2.669 76 F HA 0.596 5.123 4.527 0.000 0.000 0.353 76 F C 1.170 176.991 175.800 0.035 0.000 1.192 76 F CA 0.251 58.293 58.000 0.069 0.000 1.317 76 F CB 0.282 39.340 39.000 0.096 0.000 1.652 76 F HN 0.738 nan 8.300 nan 0.000 0.608 77 G N 0.349 109.228 108.800 0.133 0.000 2.333 77 G HA2 -0.032 3.928 3.960 0.000 0.000 0.288 77 G HA3 -0.032 3.928 3.960 0.000 0.000 0.288 77 G C -1.859 173.043 174.900 0.002 0.000 1.286 77 G CA -1.156 43.984 45.100 0.068 0.000 0.865 77 G HN 0.062 nan 8.290 nan 0.000 0.506 78 N N 0.917 119.611 118.700 -0.009 0.000 2.452 78 N HA 0.206 4.946 4.740 0.000 0.000 0.266 78 N C 1.013 176.480 175.510 -0.072 0.000 1.175 78 N CA 0.285 53.319 53.050 -0.028 0.000 0.945 78 N CB 1.388 39.867 38.487 -0.013 0.000 1.063 78 N HN 0.549 nan 8.380 nan 0.000 0.472 79 D N 2.581 122.932 120.400 -0.082 0.000 2.363 79 D HA -0.158 4.482 4.640 0.000 0.000 0.220 79 D C 1.170 177.412 176.300 -0.098 0.000 0.994 79 D CA 0.771 54.698 54.000 -0.122 0.000 0.890 79 D CB -0.084 40.645 40.800 -0.117 0.000 0.906 79 D HN 0.681 nan 8.370 nan 0.000 0.530 80 K N 0.607 120.969 120.400 -0.064 0.000 2.362 80 K HA -0.035 4.285 4.320 0.000 0.000 0.200 80 K C 1.509 178.081 176.600 -0.048 0.000 1.046 80 K CA 0.847 57.107 56.287 -0.046 0.000 0.952 80 K CB -0.435 32.048 32.500 -0.028 0.000 0.753 80 K HN 0.229 nan 8.250 nan 0.000 0.466 81 L N 0.827 122.011 121.223 -0.066 0.000 2.612 81 L HA 0.299 4.639 4.340 0.000 0.000 0.230 81 L C 0.109 176.930 176.870 -0.083 0.000 1.140 81 L CA -0.082 54.723 54.840 -0.058 0.000 0.896 81 L CB -0.122 41.906 42.059 -0.051 0.000 1.065 81 L HN 0.185 nan 8.230 nan 0.000 0.447 82 I N -0.201 120.301 120.570 -0.114 0.000 2.498 82 I HA 0.290 4.460 4.170 0.000 0.000 0.290 82 I C -0.362 175.727 176.117 -0.046 0.000 1.032 82 I CA -0.454 60.776 61.300 -0.116 0.000 1.073 82 I CB 2.039 39.855 38.000 -0.307 0.000 1.251 82 I HN -0.066 nan 8.210 nan 0.000 0.426 83 K N 4.364 124.767 120.400 0.005 0.000 2.328 83 K HA 0.345 4.665 4.320 0.000 0.000 0.246 83 K C -0.628 175.994 176.600 0.036 0.000 0.955 83 K CA -0.940 55.355 56.287 0.014 0.000 0.817 83 K CB 2.382 34.892 32.500 0.016 0.000 1.208 83 K HN 0.542 nan 8.250 nan 0.000 0.432 84 E N 0.485 120.701 120.200 0.026 0.000 2.558 84 E HA -0.085 4.265 4.350 0.000 0.000 0.255 84 E C 0.495 177.115 176.600 0.033 0.000 0.968 84 E CA 1.358 57.776 56.400 0.031 0.000 0.939 84 E CB 0.096 29.805 29.700 0.016 0.000 0.921 84 E HN 0.807 nan 8.360 nan 0.000 0.477 85 G N 4.105 112.929 108.800 0.041 0.000 2.213 85 G HA2 -0.218 3.742 3.960 0.000 0.000 0.236 85 G HA3 -0.218 3.742 3.960 0.000 0.000 0.236 85 G C -0.176 174.753 174.900 0.048 0.000 0.991 85 G CA 0.078 45.198 45.100 0.034 0.000 0.629 85 G HN 0.649 nan 8.290 nan 0.000 0.517 86 D N 0.663 121.107 120.400 0.073 0.000 2.443 86 D HA 0.415 5.055 4.640 0.000 0.000 0.239 86 D C 0.838 177.188 176.300 0.083 0.000 1.136 86 D CA -0.016 54.040 54.000 0.094 0.000 0.879 86 D CB 0.728 41.618 40.800 0.150 0.000 1.195 86 D HN 0.187 nan 8.370 nan 0.000 0.443 87 I N 1.793 122.397 120.570 0.057 0.000 2.529 87 I HA 0.053 4.223 4.170 0.000 0.000 0.284 87 I C 0.011 176.111 176.117 -0.028 0.000 1.082 87 I CA 0.001 61.311 61.300 0.018 0.000 1.406 87 I CB 0.924 38.932 38.000 0.012 0.000 1.405 87 I HN 0.017 nan 8.210 nan 0.000 0.548 88 V N 6.668 126.518 119.914 -0.106 0.000 2.540 88 V HA 0.515 4.635 4.120 0.000 0.000 0.302 88 V C -0.200 175.780 176.094 -0.190 0.000 1.035 88 V CA -1.032 61.103 62.300 -0.276 0.000 0.873 88 V CB 1.743 33.311 31.823 -0.425 0.000 0.992 88 V HN 0.577 nan 8.190 nan 0.000 0.428 89 K N 3.146 123.432 120.400 -0.190 0.000 2.316 89 K HA 0.604 4.924 4.320 0.000 0.000 0.251 89 K C -0.468 176.069 176.600 -0.104 0.000 0.934 89 K CA -0.920 55.301 56.287 -0.110 0.000 0.802 89 K CB 2.617 35.078 32.500 -0.065 0.000 1.171 89 K HN 0.551 nan 8.250 nan 0.000 0.426 90 R N 0.535 120.991 120.500 -0.072 0.000 2.679 90 R HA -0.020 4.320 4.340 0.000 0.000 0.268 90 R C 1.144 177.425 176.300 -0.032 0.000 1.044 90 R CA 0.517 56.587 56.100 -0.051 0.000 1.105 90 R CB 0.380 30.657 30.300 -0.038 0.000 0.989 90 R HN 0.806 nan 8.270 nan 0.000 0.447 91 T N -1.849 112.695 114.554 -0.017 0.000 2.990 91 T HA 0.163 4.513 4.350 0.000 0.000 0.250 91 T C 1.322 176.022 174.700 -0.001 0.000 1.041 91 T CA 0.359 62.457 62.100 -0.002 0.000 1.010 91 T CB 0.569 69.445 68.868 0.013 0.000 1.003 91 T HN 0.808 nan 8.240 nan 0.000 0.499 92 G N 1.253 110.051 108.800 -0.003 0.000 2.179 92 G HA2 0.029 3.989 3.960 0.000 0.000 0.260 92 G HA3 0.029 3.989 3.960 0.000 0.000 0.260 92 G C 0.181 175.083 174.900 0.004 0.000 0.977 92 G CA -0.126 44.973 45.100 -0.002 0.000 0.641 92 G HN 1.344 nan 8.290 nan 0.000 0.533 93 A N 0.522 123.348 122.820 0.010 0.000 2.343 93 A HA 0.757 5.077 4.320 0.000 0.000 0.316 93 A C 0.248 177.847 177.584 0.024 0.000 1.104 93 A CA -0.752 51.294 52.037 0.015 0.000 0.768 93 A CB 1.035 20.043 19.000 0.014 0.000 1.213 93 A HN 0.552 nan 8.150 nan 0.000 0.456 94 I N 2.268 122.852 120.570 0.022 0.000 2.710 94 I HA -0.020 4.150 4.170 0.000 0.000 0.286 94 I C 0.789 176.928 176.117 0.036 0.000 1.181 94 I CA 0.174 61.492 61.300 0.030 0.000 1.430 94 I CB 0.337 38.350 38.000 0.021 0.000 1.367 94 I HN 0.383 nan 8.210 nan 0.000 0.577 95 V N 7.287 127.237 119.914 0.059 0.000 2.621 95 V HA -0.134 3.986 4.120 0.000 0.000 0.300 95 V C 0.347 176.453 176.094 0.020 0.000 1.031 95 V CA 0.549 62.890 62.300 0.068 0.000 1.210 95 V CB -0.867 31.028 31.823 0.121 0.000 0.864 95 V HN 0.934 nan 8.190 nan 0.000 0.477 96 D N 4.236 124.640 120.400 0.008 0.000 2.592 96 D HA 0.750 5.390 4.640 0.000 0.000 0.263 96 D C -0.589 175.696 176.300 -0.025 0.000 1.132 96 D CA -0.604 53.391 54.000 -0.009 0.000 0.996 96 D CB 2.209 43.007 40.800 -0.002 0.000 1.442 96 D HN 0.485 nan 8.370 nan 0.000 0.486 97 V N -4.941 114.956 119.914 -0.028 0.000 3.007 97 V HA 0.738 4.858 4.120 0.000 0.000 0.311 97 V C -2.903 173.165 176.094 -0.044 0.000 1.120 97 V CA -2.265 60.012 62.300 -0.038 0.000 0.980 97 V CB 1.851 33.650 31.823 -0.042 0.000 1.033 97 V HN 0.586 nan 8.190 nan 0.000 0.429 98 P HA 0.332 nan 4.420 nan 0.000 0.268 98 P C -0.422 176.812 177.300 -0.110 0.000 1.205 98 P CA 0.223 63.276 63.100 -0.078 0.000 0.771 98 P CB 1.283 32.941 31.700 -0.071 0.000 0.858 99 V N -0.915 118.892 119.914 -0.178 0.000 3.102 99 V HA 1.024 5.144 4.120 0.000 0.000 0.312 99 V C -0.078 175.663 176.094 -0.588 0.000 1.135 99 V CA -0.293 61.825 62.300 -0.304 0.000 1.022 99 V CB 1.463 33.151 31.823 -0.225 0.000 1.056 99 V HN 0.997 nan 8.190 nan 0.000 0.436 100 G N 1.011 109.174 108.800 -1.062 0.000 2.353 100 G HA2 0.071 4.031 3.960 0.000 0.000 0.424 100 G HA3 0.071 4.031 3.960 0.000 0.000 0.424 100 G C -0.288 174.145 174.900 -0.778 0.000 1.320 100 G CA -0.034 44.202 45.100 -1.441 0.000 0.995 100 G HN 0.876 nan 8.290 nan 0.000 0.580 101 E N -0.204 119.721 120.200 -0.458 0.000 2.418 101 E HA -0.013 4.337 4.350 0.000 0.000 0.197 101 E C 1.828 178.412 176.600 -0.027 0.000 1.026 101 E CA 1.122 57.478 56.400 -0.074 0.000 0.862 101 E CB 0.154 29.870 29.700 0.027 0.000 0.799 101 E HN 0.570 nan 8.360 nan 0.000 0.518 102 E N 0.591 120.734 120.200 -0.096 0.000 2.268 102 E HA -0.124 4.226 4.350 0.000 0.000 0.195 102 E C 1.632 178.218 176.600 -0.023 0.000 0.995 102 E CA 0.581 56.951 56.400 -0.050 0.000 0.836 102 E CB -0.017 29.640 29.700 -0.072 0.000 0.763 102 E HN 0.228 nan 8.360 nan 0.000 0.491 103 L N 0.281 121.487 121.223 -0.028 0.000 2.395 103 L HA 0.027 4.367 4.340 0.000 0.000 0.218 103 L C 0.424 177.331 176.870 0.061 0.000 1.130 103 L CA -0.068 54.777 54.840 0.009 0.000 0.826 103 L CB -0.139 41.919 42.059 -0.001 0.000 0.941 103 L HN 0.092 nan 8.230 nan 0.000 0.451 104 L N 0.289 121.573 121.223 0.101 0.000 2.490 104 L HA 0.100 4.440 4.340 0.000 0.000 0.274 104 L C 1.415 178.328 176.870 0.071 0.000 1.201 104 L CA 0.749 55.667 54.840 0.130 0.000 0.869 104 L CB 0.082 42.259 42.059 0.197 0.000 1.123 104 L HN 0.340 nan 8.230 nan 0.000 0.484 105 G N 1.717 110.543 108.800 0.042 0.000 2.176 105 G HA2 -0.206 3.754 3.960 0.000 0.000 0.253 105 G HA3 -0.206 3.754 3.960 0.000 0.000 0.253 105 G C 0.225 175.126 174.900 0.001 0.000 0.979 105 G CA -0.404 44.699 45.100 0.004 0.000 0.641 105 G HN 0.460 nan 8.290 nan 0.000 0.530 106 R N -0.282 120.227 120.500 0.016 0.000 2.732 106 R HA 0.703 5.043 4.340 0.000 0.000 0.278 106 R C -0.295 176.015 176.300 0.017 0.000 0.976 106 R CA -0.807 55.300 56.100 0.012 0.000 0.963 106 R CB 1.799 32.107 30.300 0.013 0.000 1.150 106 R HN 0.227 nan 8.270 nan 0.000 0.478 107 V N 2.839 122.761 119.914 0.013 0.000 2.370 107 V HA 0.433 4.553 4.120 0.000 0.000 0.283 107 V C 0.271 176.377 176.094 0.019 0.000 1.023 107 V CA -0.771 61.542 62.300 0.021 0.000 0.857 107 V CB 1.402 33.235 31.823 0.017 0.000 0.985 107 V HN 0.596 nan 8.190 nan 0.000 0.443 108 V N 1.333 121.260 119.914 0.022 0.000 3.074 108 V HA 0.841 4.961 4.120 0.000 0.000 0.314 108 V C -0.426 175.677 176.094 0.015 0.000 1.117 108 V CA -0.867 61.441 62.300 0.014 0.000 1.014 108 V CB 2.150 33.977 31.823 0.006 0.000 1.057 108 V HN 0.787 nan 8.190 nan 0.000 0.438 109 D N 1.761 122.166 120.400 0.008 0.000 2.478 109 D HA 0.523 5.163 4.640 0.000 0.000 0.269 109 D C 1.192 177.485 176.300 -0.012 0.000 1.232 109 D CA 0.003 54.007 54.000 0.007 0.000 1.059 109 D CB 1.040 41.848 40.800 0.013 0.000 1.104 109 D HN 0.832 nan 8.370 nan 0.000 0.566 110 A N -0.696 122.111 122.820 -0.023 0.000 2.070 110 A HA -0.059 4.261 4.320 0.000 0.000 0.220 110 A C 2.167 179.685 177.584 -0.109 0.000 1.159 110 A CA 0.974 52.974 52.037 -0.061 0.000 0.656 110 A CB -0.860 18.100 19.000 -0.067 0.000 0.800 110 A HN 0.530 nan 8.150 nan 0.000 0.453 111 L N -1.756 119.409 121.223 -0.097 0.000 2.567 111 L HA 0.251 4.591 4.340 0.000 0.000 0.225 111 L C 1.616 178.451 176.870 -0.058 0.000 1.119 111 L CA 0.578 55.354 54.840 -0.105 0.000 0.871 111 L CB 0.065 42.078 42.059 -0.077 0.000 1.036 111 L HN 0.532 nan 8.230 nan 0.000 0.459 112 G N -0.260 108.517 108.800 -0.039 0.000 2.141 112 G HA2 -0.235 3.725 3.960 0.000 0.000 0.231 112 G HA3 -0.235 3.725 3.960 0.000 0.000 0.231 112 G C -0.019 174.871 174.900 -0.017 0.000 0.984 112 G CA -0.408 44.676 45.100 -0.027 0.000 0.660 112 G HN 0.327 nan 8.290 nan 0.000 0.525 113 N N 0.991 119.685 118.700 -0.010 0.000 2.514 113 N HA 0.531 5.271 4.740 0.000 0.000 0.277 113 N C 0.624 176.135 175.510 0.002 0.000 1.126 113 N CA 0.569 53.618 53.050 -0.001 0.000 0.978 113 N CB 1.405 39.896 38.487 0.008 0.000 1.106 113 N HN 0.681 nan 8.380 nan 0.000 0.461 114 A N 2.042 124.863 122.820 0.002 0.000 2.520 114 A HA 0.196 4.516 4.320 0.000 0.000 0.245 114 A C 1.317 178.906 177.584 0.008 0.000 1.072 114 A CA -0.134 51.906 52.037 0.004 0.000 0.761 114 A CB -0.459 18.542 19.000 0.001 0.000 1.004 114 A HN 0.822 nan 8.150 nan 0.000 0.499 115 I N -0.748 119.828 120.570 0.010 0.000 4.147 115 I HA 0.237 4.407 4.170 0.000 0.000 0.329 115 I C 0.280 176.402 176.117 0.010 0.000 1.424 115 I CA 0.053 61.360 61.300 0.012 0.000 1.127 115 I CB 0.389 38.399 38.000 0.017 0.000 1.128 115 I HN 0.475 nan 8.210 nan 0.000 0.417 116 D N 1.245 121.649 120.400 0.006 0.000 2.339 116 D HA 0.142 4.782 4.640 0.000 0.000 0.217 116 D C 1.691 177.991 176.300 0.001 0.000 1.050 116 D CA 0.616 54.617 54.000 0.002 0.000 0.856 116 D CB 0.068 40.868 40.800 -0.000 0.000 0.922 116 D HN 0.434 nan 8.370 nan 0.000 0.518 117 G N 0.866 109.668 108.800 0.002 0.000 2.155 117 G HA2 -0.384 3.576 3.960 0.000 0.000 0.257 117 G HA3 -0.384 3.576 3.960 0.000 0.000 0.257 117 G C 0.800 175.700 174.900 -0.000 0.000 0.983 117 G CA 0.485 45.586 45.100 0.002 0.000 0.676 117 G HN 0.467 nan 8.290 nan 0.000 0.528 118 K N 0.349 120.748 120.400 -0.001 0.000 2.437 118 K HA 0.451 4.771 4.320 0.000 0.000 0.198 118 K C 1.469 178.068 176.600 -0.001 0.000 1.024 118 K CA 0.412 56.698 56.287 -0.002 0.000 1.148 118 K CB 0.282 32.780 32.500 -0.003 0.000 0.860 118 K HN 1.389 nan 8.250 nan 0.000 0.515 119 G N 2.243 111.043 108.800 -0.001 0.000 2.660 119 G HA2 -0.190 3.770 3.960 0.000 0.000 0.247 119 G HA3 -0.190 3.770 3.960 0.000 0.000 0.247 119 G C -2.671 172.228 174.900 -0.002 0.000 1.328 119 G CA -1.302 43.797 45.100 -0.001 0.000 0.884 119 G HN 0.021 nan 8.290 nan 0.000 0.531 120 P HA 0.408 nan 4.420 nan 0.000 0.266 120 P C 0.042 177.336 177.300 -0.010 0.000 1.195 120 P CA 0.040 63.136 63.100 -0.007 0.000 0.768 120 P CB 0.317 32.013 31.700 -0.007 0.000 0.838 121 I N 1.858 122.419 120.570 -0.015 0.000 2.304 121 I HA 0.199 4.369 4.170 0.000 0.000 0.291 121 I C 1.645 177.743 176.117 -0.031 0.000 1.018 121 I CA 0.019 61.305 61.300 -0.023 0.000 1.260 121 I CB 1.224 39.208 38.000 -0.026 0.000 1.390 121 I HN 0.465 nan 8.210 nan 0.000 0.475 122 G N 4.007 112.787 108.800 -0.034 0.000 2.882 122 G HA2 -0.066 3.894 3.960 0.000 0.000 0.206 122 G HA3 -0.066 3.894 3.960 0.000 0.000 0.206 122 G C 0.658 175.526 174.900 -0.054 0.000 1.155 122 G CA -0.138 44.940 45.100 -0.037 0.000 0.800 122 G HN 0.561 nan 8.290 nan 0.000 0.524 123 S N 0.448 116.104 115.700 -0.073 0.000 2.546 123 S HA 0.134 4.604 4.470 0.000 0.000 0.290 123 S C 1.246 175.796 174.600 -0.083 0.000 1.290 123 S CA -0.135 58.002 58.200 -0.106 0.000 1.069 123 S CB 1.207 64.325 63.200 -0.138 0.000 0.846 123 S HN 0.259 nan 8.310 nan 0.000 0.495 124 K N 1.561 121.910 120.400 -0.086 0.000 2.244 124 K HA 0.193 4.513 4.320 0.000 0.000 0.200 124 K C 0.900 177.463 176.600 -0.061 0.000 1.052 124 K CA 0.331 56.582 56.287 -0.060 0.000 0.980 124 K CB -0.094 32.378 32.500 -0.047 0.000 0.838 124 K HN 0.630 nan 8.250 nan 0.000 0.481 125 A N 2.148 124.918 122.820 -0.083 0.000 2.340 125 A HA 0.441 4.761 4.320 0.000 0.000 0.268 125 A C -0.259 177.280 177.584 -0.076 0.000 1.100 125 A CA -0.210 51.786 52.037 -0.069 0.000 0.803 125 A CB 0.412 19.374 19.000 -0.064 0.000 1.043 125 A HN 0.160 nan 8.150 nan 0.000 0.488 126 R N 0.608 121.081 120.500 -0.045 0.000 2.807 126 R HA 0.640 4.980 4.340 0.000 0.000 0.276 126 R C -0.894 175.396 176.300 -0.017 0.000 0.979 126 R CA -0.754 55.324 56.100 -0.038 0.000 0.928 126 R CB 2.417 32.701 30.300 -0.026 0.000 1.191 126 R HN 0.786 nan 8.270 nan 0.000 0.471 127 R N 1.107 121.600 120.500 -0.012 0.000 2.686 127 R HA 0.374 4.714 4.340 0.000 0.000 0.286 127 R C -0.579 175.724 176.300 0.005 0.000 0.969 127 R CA -1.058 55.046 56.100 0.006 0.000 0.898 127 R CB 2.351 32.664 30.300 0.022 0.000 1.183 127 R HN 0.365 nan 8.270 nan 0.000 0.456 128 R N 1.195 121.700 120.500 0.009 0.000 2.522 128 R HA -0.025 4.315 4.340 0.000 0.000 0.284 128 R C 1.552 177.853 176.300 0.002 0.000 1.032 128 R CA -0.063 56.039 56.100 0.004 0.000 1.049 128 R CB 0.571 30.875 30.300 0.006 0.000 0.956 128 R HN 0.512 nan 8.270 nan 0.000 0.422 129 V N 1.006 120.914 119.914 -0.011 0.000 2.809 129 V HA 0.023 4.143 4.120 0.000 0.000 0.256 129 V C 1.253 177.323 176.094 -0.041 0.000 1.080 129 V CA 1.824 64.119 62.300 -0.008 0.000 1.102 129 V CB -0.117 31.691 31.823 -0.026 0.000 0.705 129 V HN 0.859 nan 8.190 nan 0.000 0.475 130 G N -0.077 108.676 108.800 -0.080 0.000 3.434 130 G HA2 0.310 4.270 3.960 0.000 0.000 0.258 130 G HA3 0.310 4.270 3.960 0.000 0.000 0.258 130 G C 0.350 175.215 174.900 -0.057 0.000 1.128 130 G CA -0.361 44.659 45.100 -0.134 0.000 0.792 130 G HN 0.435 nan 8.290 nan 0.000 0.539 131 L N 1.044 122.258 121.223 -0.015 0.000 2.490 131 L HA 0.192 4.532 4.340 0.000 0.000 0.274 131 L C 0.710 177.587 176.870 0.011 0.000 1.201 131 L CA -0.172 54.672 54.840 0.007 0.000 0.869 131 L CB 0.723 42.795 42.059 0.020 0.000 1.123 131 L HN 0.081 nan 8.230 nan 0.000 0.484 132 K N 3.590 124.001 120.400 0.019 0.000 2.382 132 K HA 0.270 4.590 4.320 0.000 0.000 0.275 132 K C -0.033 176.580 176.600 0.022 0.000 1.009 132 K CA -0.307 55.995 56.287 0.026 0.000 0.970 132 K CB 0.908 33.430 32.500 0.037 0.000 0.934 132 K HN 0.710 nan 8.250 nan 0.000 0.479 133 A N 5.337 128.169 122.820 0.019 0.000 2.483 133 A HA 0.214 4.534 4.320 0.000 0.000 0.238 133 A C -2.110 175.469 177.584 -0.007 0.000 1.070 133 A CA -1.049 50.992 52.037 0.008 0.000 0.770 133 A CB -0.504 18.500 19.000 0.007 0.000 1.008 133 A HN 0.636 nan 8.150 nan 0.000 0.497 134 P HA 0.195 nan 4.420 nan 0.000 0.266 134 P C 0.755 178.010 177.300 -0.074 0.000 1.193 134 P CA 0.660 63.710 63.100 -0.083 0.000 0.770 134 P CB 0.485 32.094 31.700 -0.151 0.000 0.836 135 G N 1.095 109.846 108.800 -0.082 0.000 2.504 135 G HA2 0.159 4.119 3.960 0.000 0.000 0.257 135 G HA3 0.159 4.119 3.960 0.000 0.000 0.257 135 G C 1.062 175.917 174.900 -0.075 0.000 1.451 135 G CA -0.583 44.485 45.100 -0.054 0.000 1.059 135 G HN 0.408 nan 8.290 nan 0.000 0.550 136 I N -0.102 120.438 120.570 -0.049 0.000 2.163 136 I HA -0.112 4.058 4.170 0.000 0.000 0.240 136 I C 2.610 178.686 176.117 -0.068 0.000 1.081 136 I CA 0.693 61.967 61.300 -0.045 0.000 1.353 136 I CB -0.136 37.852 38.000 -0.019 0.000 1.054 136 I HN 0.229 nan 8.210 nan 0.000 0.407 137 I N 1.035 121.568 120.570 -0.062 0.000 2.286 137 I HA -0.153 4.017 4.170 0.000 0.000 0.248 137 I C -0.328 175.712 176.117 -0.128 0.000 1.115 137 I CA 1.702 62.973 61.300 -0.049 0.000 1.392 137 I CB -2.418 35.589 38.000 0.011 0.000 1.065 137 I HN 0.167 nan 8.210 nan 0.000 0.418 138 P HA -0.045 nan 4.420 nan 0.000 0.239 138 P C 0.293 177.333 177.300 -0.434 0.000 1.184 138 P CA 0.894 63.503 63.100 -0.819 0.000 0.760 138 P CB 0.062 30.924 31.700 -1.397 0.000 0.884 139 R N -0.511 119.859 120.500 -0.218 0.000 2.674 139 R HA 0.735 5.075 4.340 0.000 0.000 0.266 139 R C -0.224 176.043 176.300 -0.054 0.000 1.016 139 R CA -0.892 55.136 56.100 -0.121 0.000 1.062 139 R CB 1.468 31.712 30.300 -0.092 0.000 1.142 139 R HN -0.014 nan 8.270 nan 0.000 0.517 140 I N -0.267 120.286 120.570 -0.027 0.000 2.994 140 I HA 0.201 4.371 4.170 0.000 0.000 0.306 140 I C -0.555 175.560 176.117 -0.004 0.000 1.195 140 I CA -0.689 60.607 61.300 -0.007 0.000 1.001 140 I CB 2.485 40.491 38.000 0.009 0.000 1.244 140 I HN 0.806 nan 8.210 nan 0.000 0.437 141 S N 4.449 120.149 115.700 -0.001 0.000 2.562 141 S HA 0.266 4.736 4.470 0.000 0.000 0.281 141 S C 0.026 174.626 174.600 -0.001 0.000 1.333 141 S CA -0.726 57.473 58.200 -0.001 0.000 1.052 141 S CB 0.959 64.159 63.200 -0.000 0.000 0.884 141 S HN 0.666 nan 8.310 nan 0.000 0.506 142 V N 1.931 121.843 119.914 -0.003 0.000 2.673 142 V HA 0.383 4.503 4.120 0.000 0.000 0.303 142 V C 0.920 177.005 176.094 -0.014 0.000 1.046 142 V CA 0.081 62.377 62.300 -0.007 0.000 1.126 142 V CB 0.108 31.926 31.823 -0.008 0.000 0.934 142 V HN 1.157 nan 8.190 nan 0.000 0.487 143 R N 1.311 121.797 120.500 -0.025 0.000 2.580 143 R HA 0.401 4.741 4.340 0.000 0.000 0.285 143 R C -0.095 176.173 176.300 -0.054 0.000 0.947 143 R CA -0.432 55.650 56.100 -0.030 0.000 1.102 143 R CB 0.388 30.677 30.300 -0.019 0.000 1.696 143 R HN 0.711 nan 8.270 nan 0.000 0.506 144 E N 3.065 123.218 120.200 -0.080 0.000 2.166 144 E HA 0.378 4.728 4.350 0.000 0.000 0.275 144 E C -2.662 173.854 176.600 -0.140 0.000 0.941 144 E CA -2.575 53.746 56.400 -0.132 0.000 0.784 144 E CB 1.984 31.561 29.700 -0.205 0.000 1.115 144 E HN -0.053 nan 8.360 nan 0.000 0.399 145 P HA -0.008 nan 4.420 nan 0.000 0.267 145 P C -0.694 176.500 177.300 -0.176 0.000 1.205 145 P CA -0.036 62.986 63.100 -0.131 0.000 0.765 145 P CB 0.434 32.064 31.700 -0.117 0.000 0.828 146 M N 3.986 123.514 119.600 -0.121 0.000 2.152 146 M HA 0.135 4.615 4.480 0.000 0.000 0.354 146 M C -0.557 175.707 176.300 -0.060 0.000 1.173 146 M CA -0.344 54.887 55.300 -0.116 0.000 1.110 146 M CB 0.120 32.673 32.600 -0.079 0.000 1.366 146 M HN 0.309 nan 8.290 nan 0.000 0.415 147 Q N 2.688 122.460 119.800 -0.046 0.000 2.307 147 Q HA 0.166 4.506 4.340 0.000 0.000 0.259 147 Q C 1.297 177.339 176.000 0.071 0.000 0.998 147 Q CA 0.098 55.926 55.803 0.041 0.000 0.923 147 Q CB 0.898 29.715 28.738 0.131 0.000 1.196 147 Q HN 0.761 nan 8.270 nan 0.000 0.416 148 T N -1.277 113.304 114.554 0.045 0.000 2.985 148 T HA 0.044 4.394 4.350 0.000 0.000 0.266 148 T C 1.279 176.005 174.700 0.043 0.000 1.076 148 T CA 0.731 62.856 62.100 0.042 0.000 1.135 148 T CB 0.026 68.910 68.868 0.028 0.000 0.890 148 T HN 0.844 nan 8.240 nan 0.000 0.480 149 G N 1.357 110.182 108.800 0.043 0.000 2.162 149 G HA2 -0.208 3.752 3.960 0.000 0.000 0.260 149 G HA3 -0.208 3.752 3.960 0.000 0.000 0.260 149 G C 0.009 174.916 174.900 0.012 0.000 0.976 149 G CA 0.222 45.337 45.100 0.025 0.000 0.655 149 G HN 0.681 nan 8.290 nan 0.000 0.533 150 I N 0.363 120.942 120.570 0.015 0.000 2.330 150 I HA 0.280 4.450 4.170 0.000 0.000 0.289 150 I C 1.521 177.646 176.117 0.013 0.000 1.001 150 I CA -0.817 60.488 61.300 0.008 0.000 1.193 150 I CB 1.449 39.453 38.000 0.008 0.000 1.345 150 I HN -0.034 nan 8.210 nan 0.000 0.461 151 K N 4.120 124.527 120.400 0.012 0.000 2.032 151 K HA -0.208 4.112 4.320 0.000 0.000 0.209 151 K C 2.056 178.668 176.600 0.020 0.000 1.048 151 K CA 1.873 58.171 56.287 0.017 0.000 0.927 151 K CB -0.101 32.409 32.500 0.017 0.000 0.712 151 K HN 0.810 nan 8.250 nan 0.000 0.441 152 A N 0.697 123.528 122.820 0.018 0.000 1.972 152 A HA -0.106 4.214 4.320 0.000 0.000 0.219 152 A C 2.304 179.904 177.584 0.026 0.000 1.169 152 A CA 1.366 53.416 52.037 0.023 0.000 0.635 152 A CB -0.401 18.613 19.000 0.024 0.000 0.810 152 A HN 0.082 nan 8.150 nan 0.000 0.446 153 V N 0.195 120.123 119.914 0.024 0.000 2.302 153 V HA -0.143 3.977 4.120 0.000 0.000 0.243 153 V C 2.029 178.137 176.094 0.022 0.000 1.036 153 V CA 2.008 64.323 62.300 0.025 0.000 1.020 153 V CB -0.726 31.111 31.823 0.023 0.000 0.657 153 V HN 0.438 nan 8.190 nan 0.000 0.453 154 D N 0.515 120.928 120.400 0.021 0.000 2.219 154 D HA -0.106 4.534 4.640 0.000 0.000 0.205 154 D C 2.396 178.708 176.300 0.020 0.000 0.970 154 D CA 1.664 55.676 54.000 0.020 0.000 0.851 154 D CB -0.115 40.698 40.800 0.023 0.000 0.943 154 D HN 0.593 nan 8.370 nan 0.000 0.488 155 S N -0.375 115.339 115.700 0.023 0.000 2.356 155 S HA 0.031 4.501 4.470 0.000 0.000 0.219 155 S C 1.998 176.613 174.600 0.024 0.000 1.036 155 S CA 0.357 58.572 58.200 0.024 0.000 0.965 155 S CB -0.312 62.905 63.200 0.027 0.000 0.864 155 S HN 0.198 nan 8.310 nan 0.000 0.471 156 L N 0.827 122.066 121.223 0.026 0.000 2.575 156 L HA 0.368 4.708 4.340 0.000 0.000 0.228 156 L C -0.051 176.837 176.870 0.030 0.000 1.075 156 L CA 0.095 54.952 54.840 0.029 0.000 0.867 156 L CB 0.635 42.715 42.059 0.033 0.000 1.097 156 L HN 0.183 nan 8.230 nan 0.000 0.485 157 V N 0.896 120.827 119.914 0.029 0.000 2.572 157 V HA 0.242 4.362 4.120 0.000 0.000 0.274 157 V C -2.384 173.723 176.094 0.021 0.000 1.075 157 V CA -1.267 61.050 62.300 0.029 0.000 1.237 157 V CB 0.071 31.916 31.823 0.037 0.000 1.517 157 V HN 0.012 nan 8.190 nan 0.000 0.616 158 P HA 0.273 nan 4.420 nan 0.000 0.268 158 P C -0.412 176.890 177.300 0.003 0.000 1.204 158 P CA 0.339 63.444 63.100 0.008 0.000 0.768 158 P CB 1.481 33.184 31.700 0.005 0.000 0.842 159 I N 1.907 122.475 120.570 -0.004 0.000 2.404 159 I HA 0.465 4.635 4.170 0.000 0.000 0.293 159 I C 1.068 177.169 176.117 -0.026 0.000 0.992 159 I CA -0.578 60.716 61.300 -0.009 0.000 1.149 159 I CB 1.969 39.965 38.000 -0.006 0.000 1.315 159 I HN 0.324 nan 8.210 nan 0.000 0.446 160 G N 4.533 113.317 108.800 -0.026 0.000 2.434 160 G HA2 0.513 4.473 3.960 0.000 0.000 0.330 160 G HA3 0.513 4.473 3.960 0.000 0.000 0.330 160 G C -0.467 174.407 174.900 -0.043 0.000 1.155 160 G CA -0.818 44.257 45.100 -0.042 0.000 0.917 160 G HN 0.541 nan 8.290 nan 0.000 0.493 161 R N 0.136 120.596 120.500 -0.066 0.000 2.351 161 R HA 0.403 4.743 4.340 0.000 0.000 0.318 161 R C 1.157 177.459 176.300 0.003 0.000 1.055 161 R CA 1.186 57.256 56.100 -0.049 0.000 0.968 161 R CB 0.620 30.846 30.300 -0.123 0.000 0.974 161 R HN 1.028 nan 8.270 nan 0.000 0.439 162 G N 1.869 110.680 108.800 0.019 0.000 2.231 162 G HA2 -0.264 3.696 3.960 0.000 0.000 0.206 162 G HA3 -0.264 3.696 3.960 0.000 0.000 0.206 162 G C 0.173 175.082 174.900 0.014 0.000 0.996 162 G CA -0.272 44.844 45.100 0.025 0.000 0.645 162 G HN 0.569 nan 8.290 nan 0.000 0.498 163 Q N 0.292 120.096 119.800 0.006 0.000 2.368 163 Q HA 0.630 4.970 4.340 0.000 0.000 0.237 163 Q C -0.172 175.834 176.000 0.011 0.000 0.987 163 Q CA -0.292 55.514 55.803 0.006 0.000 0.896 163 Q CB 0.392 29.131 28.738 0.001 0.000 1.241 163 Q HN 0.298 nan 8.270 nan 0.000 0.485 164 R N 2.041 122.549 120.500 0.014 0.000 2.310 164 R HA 0.312 4.652 4.340 0.000 0.000 0.324 164 R C -1.411 174.899 176.300 0.016 0.000 0.955 164 R CA -0.508 55.603 56.100 0.019 0.000 0.830 164 R CB 1.588 31.901 30.300 0.022 0.000 1.154 164 R HN 0.448 nan 8.270 nan 0.000 0.458 165 E N 2.749 122.958 120.200 0.015 0.000 2.220 165 E HA 0.260 4.610 4.350 0.000 0.000 0.256 165 E C -1.433 175.179 176.600 0.020 0.000 0.881 165 E CA -0.912 55.499 56.400 0.018 0.000 0.766 165 E CB 0.912 30.621 29.700 0.016 0.000 1.187 165 E HN 0.369 nan 8.360 nan 0.000 0.419 166 L N 5.519 126.756 121.223 0.023 0.000 2.410 166 L HA 0.409 4.749 4.340 0.000 0.000 0.273 166 L C -0.874 176.019 176.870 0.038 0.000 1.152 166 L CA 0.343 55.196 54.840 0.023 0.000 0.855 166 L CB 0.343 42.414 42.059 0.020 0.000 1.129 166 L HN 0.638 nan 8.230 nan 0.000 0.463 167 I N 7.043 127.633 120.570 0.033 0.000 2.339 167 I HA 0.413 4.583 4.170 0.000 0.000 0.290 167 I C -0.292 175.855 176.117 0.050 0.000 0.994 167 I CA -0.197 61.128 61.300 0.042 0.000 1.191 167 I CB 1.246 39.262 38.000 0.027 0.000 1.343 167 I HN 0.575 nan 8.210 nan 0.000 0.458 168 I N 5.410 126.035 120.570 0.091 0.000 2.619 168 I HA 0.874 5.044 4.170 0.000 0.000 0.292 168 I C -0.481 175.724 176.117 0.146 0.000 1.100 168 I CA 0.004 61.381 61.300 0.128 0.000 1.043 168 I CB 2.024 40.123 38.000 0.166 0.000 1.239 168 I HN 0.711 nan 8.210 nan 0.000 0.420 169 G N 5.058 113.912 108.800 0.090 0.000 2.328 169 G HA2 0.175 4.135 3.960 0.000 0.000 0.295 169 G HA3 0.175 4.135 3.960 0.000 0.000 0.295 169 G C -1.926 172.971 174.900 -0.005 0.000 1.413 169 G CA -0.777 44.324 45.100 0.002 0.000 0.817 169 G HN 0.510 nan 8.290 nan 0.000 0.546 170 D N 0.238 120.614 120.400 -0.040 0.000 2.369 170 D HA 0.303 4.943 4.640 0.000 0.000 0.241 170 D C 1.323 177.580 176.300 -0.072 0.000 1.271 170 D CA -0.049 53.934 54.000 -0.030 0.000 0.942 170 D CB 0.478 41.260 40.800 -0.031 0.000 1.129 170 D HN 0.707 nan 8.370 nan 0.000 0.476 171 R N 0.515 120.986 120.500 -0.048 0.000 2.638 171 R HA -0.075 4.265 4.340 0.000 0.000 0.268 171 R C -0.190 176.029 176.300 -0.136 0.000 1.006 171 R CA -0.023 56.040 56.100 -0.062 0.000 1.088 171 R CB 0.106 30.392 30.300 -0.024 0.000 0.950 171 R HN 0.238 nan 8.270 nan 0.000 0.419 172 Q N 0.339 120.040 119.800 -0.165 0.000 2.463 172 Q HA -0.144 4.196 4.340 0.000 0.000 0.299 172 Q C 0.045 175.633 176.000 -0.686 0.000 1.353 172 Q CA 1.719 57.355 55.803 -0.278 0.000 0.828 172 Q CB -1.725 26.926 28.738 -0.145 0.000 1.157 172 Q HN 0.995 nan 8.270 nan 0.000 0.436 173 T N -5.079 109.104 114.554 -0.618 0.000 3.085 173 T HA 0.458 4.808 4.350 0.000 0.000 0.264 173 T C 1.096 175.446 174.700 -0.584 0.000 1.019 173 T CA 0.647 62.236 62.100 -0.850 0.000 0.910 173 T CB 1.060 69.675 68.868 -0.421 0.000 1.059 173 T HN 0.843 nan 8.240 nan 0.000 0.542 174 G N 1.866 110.439 108.800 -0.377 0.000 2.131 174 G HA2 -0.244 3.716 3.960 0.000 0.000 0.201 174 G HA3 -0.244 3.716 3.960 0.000 0.000 0.201 174 G C 0.698 175.565 174.900 -0.054 0.000 1.000 174 G CA 0.235 45.275 45.100 -0.100 0.000 0.680 174 G HN 0.508 nan 8.290 nan 0.000 0.514 175 K N -0.460 119.898 120.400 -0.070 0.000 2.001 175 K HA -0.050 4.270 4.320 0.000 0.000 0.208 175 K C 2.589 179.200 176.600 0.018 0.000 1.048 175 K CA 1.831 58.103 56.287 -0.024 0.000 0.932 175 K CB -0.360 32.127 32.500 -0.023 0.000 0.715 175 K HN 0.292 nan 8.250 nan 0.000 0.437 176 T N 1.154 115.730 114.554 0.036 0.000 2.759 176 T HA -0.122 4.228 4.350 0.000 0.000 0.269 176 T C 2.063 176.798 174.700 0.058 0.000 1.042 176 T CA 1.580 63.731 62.100 0.085 0.000 1.140 176 T CB -0.196 68.732 68.868 0.100 0.000 0.864 176 T HN 0.154 nan 8.240 nan 0.000 0.455 177 S N 1.009 116.724 115.700 0.025 0.000 2.399 177 S HA -0.024 4.446 4.470 0.000 0.000 0.231 177 S C 2.016 176.613 174.600 -0.005 0.000 1.022 177 S CA 0.585 58.783 58.200 -0.003 0.000 0.983 177 S CB -0.319 62.861 63.200 -0.035 0.000 0.803 177 S HN 0.350 nan 8.310 nan 0.000 0.480 178 I N 2.020 122.596 120.570 0.009 0.000 2.163 178 I HA -0.214 3.956 4.170 0.000 0.000 0.243 178 I C 2.693 178.828 176.117 0.030 0.000 1.085 178 I CA 1.515 62.824 61.300 0.015 0.000 1.347 178 I CB -1.668 36.343 38.000 0.019 0.000 1.044 178 I HN 0.261 nan 8.210 nan 0.000 0.408 179 A N 0.957 123.808 122.820 0.052 0.000 1.873 179 A HA -0.132 4.188 4.320 0.000 0.000 0.215 179 A C 2.186 179.811 177.584 0.069 0.000 1.186 179 A CA 1.086 53.169 52.037 0.077 0.000 0.616 179 A CB -0.504 18.579 19.000 0.139 0.000 0.823 179 A HN 0.253 nan 8.150 nan 0.000 0.442 180 I N 0.799 121.397 120.570 0.046 0.000 2.179 180 I HA -0.202 3.968 4.170 0.000 0.000 0.242 180 I C 1.843 177.996 176.117 0.061 0.000 1.088 180 I CA 1.585 62.901 61.300 0.027 0.000 1.357 180 I CB -1.662 36.361 38.000 0.038 0.000 1.051 180 I HN 0.248 nan 8.210 nan 0.000 0.409 181 D N 0.504 120.933 120.400 0.048 0.000 2.149 181 D HA -0.139 4.501 4.640 0.000 0.000 0.198 181 D C 2.224 178.555 176.300 0.051 0.000 0.990 181 D CA 1.535 55.561 54.000 0.043 0.000 0.839 181 D CB -0.177 40.620 40.800 -0.006 0.000 0.948 181 D HN 0.259 nan 8.370 nan 0.000 0.460 182 T N 0.602 115.186 114.554 0.050 0.000 2.746 182 T HA -0.097 4.253 4.350 0.000 0.000 0.267 182 T C 2.168 176.917 174.700 0.083 0.000 1.039 182 T CA 0.661 62.795 62.100 0.057 0.000 1.142 182 T CB -0.201 68.696 68.868 0.047 0.000 0.866 182 T HN 0.173 nan 8.240 nan 0.000 0.444 183 I N 0.678 121.305 120.570 0.096 0.000 2.142 183 I HA -0.150 4.020 4.170 0.000 0.000 0.240 183 I C 2.286 178.528 176.117 0.208 0.000 1.078 183 I CA 1.446 62.838 61.300 0.153 0.000 1.343 183 I CB -0.457 37.606 38.000 0.104 0.000 1.046 183 I HN 0.209 nan 8.210 nan 0.000 0.405 184 I N 0.823 121.471 120.570 0.130 0.000 2.335 184 I HA -0.312 3.858 4.170 0.000 0.000 0.251 184 I C 2.258 178.438 176.117 0.105 0.000 1.129 184 I CA 1.358 62.732 61.300 0.124 0.000 1.402 184 I CB -0.615 37.439 38.000 0.090 0.000 1.069 184 I HN 0.330 nan 8.210 nan 0.000 0.424 185 N N 0.779 119.521 118.700 0.069 0.000 2.205 185 N HA -0.216 4.524 4.740 0.000 0.000 0.186 185 N C 1.803 177.278 175.510 -0.058 0.000 1.015 185 N CA 1.269 54.324 53.050 0.007 0.000 0.862 185 N CB 0.001 38.513 38.487 0.042 0.000 0.986 185 N HN 0.242 nan 8.380 nan 0.000 0.429 186 Q N 0.363 120.170 119.800 0.011 0.000 2.364 186 Q HA -0.095 4.245 4.340 0.000 0.000 0.207 186 Q C 1.682 177.493 176.000 -0.315 0.000 0.970 186 Q CA 0.588 56.350 55.803 -0.069 0.000 0.888 186 Q CB -0.262 28.357 28.738 -0.198 0.000 0.951 186 Q HN 0.531 nan 8.270 nan 0.000 0.469 187 K N 1.608 121.900 120.400 -0.181 0.000 2.113 187 K HA -0.221 4.099 4.320 0.000 0.000 0.208 187 K C 2.017 178.476 176.600 -0.235 0.000 1.047 187 K CA 1.670 57.894 56.287 -0.106 0.000 0.928 187 K CB 0.008 32.553 32.500 0.075 0.000 0.716 187 K HN 0.249 nan 8.250 nan 0.000 0.446 188 R N -0.567 119.683 120.500 -0.416 0.000 2.148 188 R HA -0.103 4.237 4.340 0.000 0.000 0.227 188 R C 1.655 177.661 176.300 -0.490 0.000 1.103 188 R CA 1.511 57.317 56.100 -0.490 0.000 0.983 188 R CB -0.414 29.516 30.300 -0.617 0.000 0.874 188 R HN 0.199 nan 8.270 nan 0.000 0.451 189 F N 1.102 120.954 119.950 -0.164 0.000 2.262 189 F HA 0.174 4.701 4.527 -0.000 0.000 0.292 189 F C 1.812 177.487 175.800 -0.207 0.000 1.081 189 F CA 0.015 57.908 58.000 -0.178 0.000 1.355 189 F CB -0.252 38.623 39.000 -0.208 0.000 1.069 189 F HN -0.044 nan 8.300 nan 0.000 0.506 190 N N 0.291 118.901 118.700 -0.150 0.000 2.381 190 N HA -0.126 4.614 4.740 0.000 0.000 0.182 190 N C 0.969 176.423 175.510 -0.094 0.000 1.025 190 N CA 1.044 53.953 53.050 -0.236 0.000 0.888 190 N CB -0.457 37.696 38.487 -0.556 0.000 0.965 190 N HN 0.231 nan 8.380 nan 0.000 0.438 191 D N 0.021 120.377 120.400 -0.073 0.000 2.317 191 D HA 0.034 4.674 4.640 0.000 0.000 0.211 191 D C 1.300 177.589 176.300 -0.018 0.000 0.966 191 D CA 0.323 54.306 54.000 -0.028 0.000 0.876 191 D CB -0.216 40.561 40.800 -0.039 0.000 0.927 191 D HN 0.161 nan 8.370 nan 0.000 0.519 192 G N -0.182 108.607 108.800 -0.018 0.000 2.525 192 G HA2 0.240 4.200 3.960 0.000 0.000 0.276 192 G HA3 0.240 4.200 3.960 0.000 0.000 0.276 192 G C 0.978 175.887 174.900 0.016 0.000 1.388 192 G CA 0.537 45.639 45.100 0.003 0.000 1.050 192 G HN 0.192 nan 8.290 nan 0.000 0.520 193 T N -3.160 111.407 114.554 0.021 0.000 2.975 193 T HA 0.123 4.473 4.350 0.000 0.000 0.257 193 T C 0.363 175.082 174.700 0.033 0.000 1.003 193 T CA 0.196 62.313 62.100 0.029 0.000 0.932 193 T CB 0.383 69.265 68.868 0.024 0.000 1.087 193 T HN 0.354 nan 8.240 nan 0.000 0.512 194 D N 2.458 122.875 120.400 0.029 0.000 2.359 194 D HA 0.118 4.758 4.640 0.000 0.000 0.250 194 D C 1.120 177.440 176.300 0.033 0.000 1.264 194 D CA -0.117 53.900 54.000 0.027 0.000 0.911 194 D CB 0.683 41.493 40.800 0.017 0.000 1.056 194 D HN 0.116 nan 8.370 nan 0.000 0.499 195 E N 2.799 123.032 120.200 0.055 0.000 2.274 195 E HA -0.121 4.229 4.350 0.000 0.000 0.194 195 E C 1.219 177.882 176.600 0.105 0.000 0.996 195 E CA 0.622 57.075 56.400 0.089 0.000 0.840 195 E CB 0.260 30.034 29.700 0.122 0.000 0.772 195 E HN 0.568 nan 8.360 nan 0.000 0.491 196 K N 0.541 120.990 120.400 0.081 0.000 2.217 196 K HA -0.100 4.220 4.320 0.000 0.000 0.202 196 K C 2.016 178.602 176.600 -0.022 0.000 1.051 196 K CA 0.752 57.102 56.287 0.106 0.000 0.952 196 K CB 0.082 32.620 32.500 0.064 0.000 0.736 196 K HN -0.169 nan 8.250 nan 0.000 0.453 197 K N 1.440 121.795 120.400 -0.075 0.000 2.305 197 K HA 0.031 4.351 4.320 0.000 0.000 0.199 197 K C 0.002 176.447 176.600 -0.259 0.000 1.047 197 K CA 0.690 56.852 56.287 -0.208 0.000 0.976 197 K CB 0.279 32.715 32.500 -0.105 0.000 0.765 197 K HN -0.040 nan 8.250 nan 0.000 0.474 198 K N 0.291 120.611 120.400 -0.133 0.000 2.219 198 K HA 0.158 4.478 4.320 0.000 0.000 0.258 198 K C -0.812 175.609 176.600 -0.297 0.000 1.008 198 K CA -0.350 55.800 56.287 -0.229 0.000 0.928 198 K CB 0.623 32.957 32.500 -0.277 0.000 0.983 198 K HN -0.113 nan 8.250 nan 0.000 0.484 199 L N 2.817 123.760 121.223 -0.467 0.000 2.491 199 L HA 0.286 4.626 4.340 0.000 0.000 0.267 199 L C -1.715 174.848 176.870 -0.511 0.000 0.971 199 L CA -0.364 54.261 54.840 -0.358 0.000 0.857 199 L CB 0.888 42.815 42.059 -0.220 0.000 1.226 199 L HN 0.446 nan 8.230 nan 0.000 0.408 200 Y N 3.178 123.324 120.300 -0.256 0.000 2.304 200 Y HA 0.521 5.071 4.550 0.000 0.000 0.328 200 Y C 0.409 176.173 175.900 -0.226 0.000 1.123 200 Y CA -0.144 57.752 58.100 -0.339 0.000 1.218 200 Y CB 1.150 39.050 38.460 -0.933 0.000 1.207 200 Y HN 0.503 nan 8.280 nan 0.000 0.495 201 C N 4.324 123.683 119.300 0.099 0.000 2.435 201 C HA 0.718 5.178 4.460 0.000 0.000 0.333 201 C C -0.209 174.829 174.990 0.080 0.000 1.202 201 C CA -1.128 57.944 59.018 0.090 0.000 1.830 201 C CB 0.325 28.167 27.740 0.170 0.000 2.326 201 C HN 0.643 nan 8.230 nan 0.000 0.507 202 I N 2.175 122.775 120.570 0.050 0.000 2.468 202 I HA 0.263 4.433 4.170 0.000 0.000 0.285 202 I C -1.030 175.106 176.117 0.032 0.000 1.039 202 I CA -0.335 60.995 61.300 0.049 0.000 1.074 202 I CB 1.012 39.027 38.000 0.025 0.000 1.228 202 I HN 0.633 nan 8.210 nan 0.000 0.436 203 Y N 7.168 127.440 120.300 -0.047 0.000 2.342 203 Y HA 0.629 5.179 4.550 -0.000 0.000 0.338 203 Y C -0.799 175.073 175.900 -0.047 0.000 0.965 203 Y CA -0.744 57.320 58.100 -0.060 0.000 1.159 203 Y CB 1.167 39.607 38.460 -0.034 0.000 1.157 203 Y HN 0.266 nan 8.280 nan 0.000 0.486 204 V N 6.650 126.265 119.914 -0.499 0.000 2.333 204 V HA 0.587 4.707 4.120 0.000 0.000 0.274 204 V C 0.079 175.887 176.094 -0.477 0.000 1.028 204 V CA -0.681 61.422 62.300 -0.328 0.000 0.851 204 V CB 0.660 32.393 31.823 -0.150 0.000 1.000 204 V HN 0.927 nan 8.190 nan 0.000 0.456 205 A N 6.878 129.552 122.820 -0.244 0.000 2.269 205 A HA 0.813 5.133 4.320 0.000 0.000 0.302 205 A C -0.547 177.012 177.584 -0.041 0.000 1.266 205 A CA -0.243 51.726 52.037 -0.113 0.000 0.894 205 A CB -0.073 18.998 19.000 0.118 0.000 1.147 205 A HN 0.759 nan 8.150 nan 0.000 0.537 206 I N 2.197 122.745 120.570 -0.037 0.000 2.382 206 I HA 0.543 4.713 4.170 0.000 0.000 0.286 206 I C 1.128 177.264 176.117 0.032 0.000 1.002 206 I CA 0.476 61.778 61.300 0.003 0.000 1.135 206 I CB 1.736 39.731 38.000 -0.007 0.000 1.288 206 I HN 0.959 nan 8.210 nan 0.000 0.448 207 G N 3.610 112.440 108.800 0.049 0.000 2.162 207 G HA2 -0.244 3.716 3.960 0.000 0.000 0.260 207 G HA3 -0.244 3.716 3.960 0.000 0.000 0.260 207 G C 0.347 175.279 174.900 0.054 0.000 0.976 207 G CA -0.160 44.974 45.100 0.057 0.000 0.655 207 G HN 0.587 nan 8.290 nan 0.000 0.533 208 Q N 0.044 119.878 119.800 0.056 0.000 2.471 208 Q HA 0.401 4.741 4.340 0.000 0.000 0.223 208 Q C 0.496 176.529 176.000 0.056 0.000 1.045 208 Q CA -0.077 55.763 55.803 0.062 0.000 0.956 208 Q CB 0.679 29.467 28.738 0.084 0.000 1.249 208 Q HN 0.363 nan 8.270 nan 0.000 0.549 209 K N 1.082 121.514 120.400 0.053 0.000 2.326 209 K HA 0.020 4.340 4.320 0.000 0.000 0.275 209 K C 0.939 177.567 176.600 0.047 0.000 1.018 209 K CA -0.021 56.293 56.287 0.045 0.000 0.962 209 K CB 0.666 33.190 32.500 0.039 0.000 0.953 209 K HN 0.496 nan 8.250 nan 0.000 0.475 210 R N 1.525 122.049 120.500 0.040 0.000 2.096 210 R HA -0.170 4.170 4.340 0.000 0.000 0.235 210 R C 2.067 178.385 176.300 0.031 0.000 1.127 210 R CA 2.180 58.302 56.100 0.037 0.000 0.968 210 R CB -0.054 30.265 30.300 0.031 0.000 0.861 210 R HN 0.801 nan 8.270 nan 0.000 0.440 211 S N -0.757 114.959 115.700 0.026 0.000 2.368 211 S HA -0.146 4.324 4.470 0.000 0.000 0.225 211 S C 1.921 176.532 174.600 0.018 0.000 1.030 211 S CA 1.725 59.936 58.200 0.019 0.000 0.999 211 S CB -0.723 62.487 63.200 0.018 0.000 0.844 211 S HN 0.311 nan 8.310 nan 0.000 0.459 212 T N 2.625 117.196 114.554 0.028 0.000 2.684 212 T HA -0.074 4.276 4.350 0.000 0.000 0.267 212 T C 1.948 176.662 174.700 0.023 0.000 1.036 212 T CA 1.648 63.766 62.100 0.030 0.000 1.148 212 T CB -0.736 68.160 68.868 0.048 0.000 0.863 212 T HN 0.317 nan 8.240 nan 0.000 0.436 213 V N 1.779 121.719 119.914 0.042 0.000 2.343 213 V HA -0.163 3.957 4.120 0.000 0.000 0.247 213 V C 2.900 178.994 176.094 0.001 0.000 1.051 213 V CA 1.612 63.938 62.300 0.043 0.000 1.036 213 V CB -1.319 30.553 31.823 0.082 0.000 0.654 213 V HN 0.538 nan 8.190 nan 0.000 0.451 214 A N -0.497 122.324 122.820 0.003 0.000 1.902 214 A HA -0.294 4.026 4.320 0.000 0.000 0.217 214 A C 2.198 179.764 177.584 -0.031 0.000 1.181 214 A CA 2.010 54.040 52.037 -0.012 0.000 0.623 214 A CB -0.489 18.508 19.000 -0.004 0.000 0.818 214 A HN 0.619 nan 8.150 nan 0.000 0.443 215 Q N -0.815 118.967 119.800 -0.029 0.000 2.167 215 Q HA -0.040 4.300 4.340 0.000 0.000 0.202 215 Q C 2.075 178.032 176.000 -0.072 0.000 0.970 215 Q CA 0.922 56.700 55.803 -0.043 0.000 0.855 215 Q CB -0.212 28.512 28.738 -0.023 0.000 0.911 215 Q HN 0.576 nan 8.270 nan 0.000 0.438 216 L N 0.469 121.644 121.223 -0.081 0.000 1.994 216 L HA -0.135 4.205 4.340 0.000 0.000 0.208 216 L C 2.309 179.085 176.870 -0.156 0.000 1.071 216 L CA 1.609 56.364 54.840 -0.142 0.000 0.745 216 L CB -0.871 41.064 42.059 -0.207 0.000 0.892 216 L HN 0.231 nan 8.230 nan 0.000 0.431 217 V N 0.041 119.882 119.914 -0.121 0.000 2.490 217 V HA -0.279 3.841 4.120 0.000 0.000 0.250 217 V C 2.687 178.718 176.094 -0.105 0.000 1.061 217 V CA 2.143 64.379 62.300 -0.107 0.000 1.064 217 V CB -0.463 31.320 31.823 -0.066 0.000 0.670 217 V HN 0.508 nan 8.190 nan 0.000 0.461 218 K N -0.180 120.162 120.400 -0.096 0.000 2.026 218 K HA -0.254 4.066 4.320 0.000 0.000 0.208 218 K C 2.391 178.911 176.600 -0.133 0.000 1.048 218 K CA 1.905 58.133 56.287 -0.098 0.000 0.929 218 K CB -0.240 32.211 32.500 -0.083 0.000 0.713 218 K HN 0.405 nan 8.250 nan 0.000 0.439 219 R N 1.198 121.600 120.500 -0.163 0.000 2.073 219 R HA -0.050 4.290 4.340 0.000 0.000 0.234 219 R C 2.309 178.489 176.300 -0.201 0.000 1.134 219 R CA 1.411 57.369 56.100 -0.236 0.000 0.952 219 R CB -0.717 29.420 30.300 -0.273 0.000 0.850 219 R HN 0.233 nan 8.270 nan 0.000 0.433 220 L N -0.456 120.666 121.223 -0.168 0.000 2.012 220 L HA -0.229 4.111 4.340 0.000 0.000 0.210 220 L C 2.233 179.009 176.870 -0.158 0.000 1.073 220 L CA 2.109 56.852 54.840 -0.162 0.000 0.748 220 L CB -0.843 41.111 42.059 -0.175 0.000 0.891 220 L HN 0.329 nan 8.230 nan 0.000 0.431 221 T N -0.965 113.506 114.554 -0.138 0.000 2.684 221 T HA -0.194 4.156 4.350 0.000 0.000 0.267 221 T C 1.458 176.095 174.700 -0.105 0.000 1.036 221 T CA 1.601 63.632 62.100 -0.115 0.000 1.148 221 T CB -0.277 68.536 68.868 -0.091 0.000 0.863 221 T HN 0.311 nan 8.240 nan 0.000 0.436 222 D N 1.295 121.626 120.400 -0.115 0.000 2.178 222 D HA 0.020 4.660 4.640 0.000 0.000 0.201 222 D C 2.030 178.269 176.300 -0.101 0.000 0.980 222 D CA 0.974 54.909 54.000 -0.109 0.000 0.842 222 D CB -0.298 40.421 40.800 -0.135 0.000 0.948 222 D HN 0.439 nan 8.370 nan 0.000 0.472 223 A N 0.170 122.923 122.820 -0.112 0.000 2.251 223 A HA 0.005 4.325 4.320 0.000 0.000 0.209 223 A C 0.591 178.138 177.584 -0.062 0.000 1.187 223 A CA 0.571 52.560 52.037 -0.079 0.000 0.823 223 A CB 0.038 18.997 19.000 -0.068 0.000 0.846 223 A HN 0.058 nan 8.150 nan 0.000 0.486 224 D N -2.973 117.377 120.400 -0.083 0.000 2.870 224 D HA -0.212 4.428 4.640 0.000 0.000 0.228 224 D C 0.779 176.997 176.300 -0.138 0.000 1.147 224 D CA 1.086 55.038 54.000 -0.079 0.000 0.757 224 D CB -1.287 39.495 40.800 -0.029 0.000 1.091 224 D HN 0.522 nan 8.370 nan 0.000 0.429 225 A N -0.979 121.688 122.820 -0.255 0.000 2.169 225 A HA 0.172 4.492 4.320 0.000 0.000 0.210 225 A C 1.921 178.995 177.584 -0.849 0.000 1.168 225 A CA 0.951 52.611 52.037 -0.629 0.000 0.813 225 A CB -0.083 18.731 19.000 -0.311 0.000 0.861 225 A HN 0.286 nan 8.150 nan 0.000 0.481 226 M N 1.300 120.648 119.600 -0.419 0.000 2.229 226 M HA -0.110 4.370 4.480 0.000 0.000 0.264 226 M C 1.985 178.135 176.300 -0.250 0.000 1.063 226 M CA 1.913 57.040 55.300 -0.288 0.000 1.114 226 M CB -0.489 32.012 32.600 -0.164 0.000 1.387 226 M HN 0.511 nan 8.290 nan 0.000 0.420 227 K N -0.401 119.860 120.400 -0.232 0.000 2.281 227 K HA -0.190 4.130 4.320 0.000 0.000 0.203 227 K C 0.651 177.282 176.600 0.052 0.000 1.046 227 K CA 1.754 58.004 56.287 -0.062 0.000 0.938 227 K CB -0.793 31.712 32.500 0.008 0.000 0.737 227 K HN 0.608 nan 8.250 nan 0.000 0.458 228 Y N -0.241 120.103 120.300 0.073 0.000 2.660 228 Y HA 0.455 5.005 4.550 0.000 0.000 0.254 228 Y C -0.564 175.397 175.900 0.101 0.000 1.176 228 Y CA -1.080 57.097 58.100 0.128 0.000 1.195 228 Y CB 0.007 38.495 38.460 0.046 0.000 1.190 228 Y HN -0.208 nan 8.280 nan 0.000 0.535 229 T N 2.463 117.023 114.554 0.009 0.000 2.841 229 T HA 0.606 4.956 4.350 0.000 0.000 0.283 229 T C -0.543 174.191 174.700 0.057 0.000 1.000 229 T CA -0.438 61.681 62.100 0.032 0.000 0.977 229 T CB 1.992 70.809 68.868 -0.084 0.000 0.979 229 T HN 0.135 nan 8.240 nan 0.000 0.446 230 I N 2.322 122.948 120.570 0.094 0.000 2.354 230 I HA 0.459 4.629 4.170 0.000 0.000 0.292 230 I C -0.495 175.675 176.117 0.088 0.000 0.989 230 I CA -1.029 60.325 61.300 0.089 0.000 1.188 230 I CB 1.650 39.721 38.000 0.118 0.000 1.342 230 I HN 0.246 nan 8.210 nan 0.000 0.457 231 V N 7.229 127.189 119.914 0.077 0.000 2.370 231 V HA 0.335 4.455 4.120 0.000 0.000 0.283 231 V C -0.023 176.118 176.094 0.078 0.000 1.023 231 V CA -0.660 61.707 62.300 0.113 0.000 0.857 231 V CB 1.763 33.655 31.823 0.116 0.000 0.985 231 V HN 0.400 nan 8.190 nan 0.000 0.443 232 V N 4.046 123.999 119.914 0.065 0.000 2.370 232 V HA 0.537 4.657 4.120 0.000 0.000 0.283 232 V C 0.185 176.297 176.094 0.030 0.000 1.023 232 V CA -0.140 62.178 62.300 0.031 0.000 0.857 232 V CB 1.656 33.483 31.823 0.006 0.000 0.985 232 V HN 0.832 nan 8.190 nan 0.000 0.443 233 S N 3.790 119.510 115.700 0.034 0.000 2.659 233 S HA 0.778 5.248 4.470 0.000 0.000 0.312 233 S C -0.360 174.261 174.600 0.034 0.000 1.114 233 S CA -0.189 58.037 58.200 0.043 0.000 1.063 233 S CB 1.121 64.358 63.200 0.061 0.000 0.996 233 S HN 1.082 nan 8.310 nan 0.000 0.478 234 A N 4.252 127.092 122.820 0.033 0.000 2.483 234 A HA 0.641 4.961 4.320 0.000 0.000 0.308 234 A C 0.389 178.004 177.584 0.050 0.000 1.291 234 A CA -0.623 51.440 52.037 0.043 0.000 0.774 234 A CB 0.253 19.280 19.000 0.045 0.000 1.134 234 A HN 0.806 nan 8.150 nan 0.000 0.471 235 T N -0.986 113.600 114.554 0.052 0.000 2.867 235 T HA 0.600 4.950 4.350 0.000 0.000 0.286 235 T C 1.507 176.240 174.700 0.054 0.000 1.022 235 T CA 0.107 62.238 62.100 0.053 0.000 0.933 235 T CB 0.893 69.791 68.868 0.050 0.000 1.280 235 T HN 0.998 nan 8.240 nan 0.000 0.566 236 A N 0.413 123.263 122.820 0.050 0.000 2.067 236 A HA 0.041 4.361 4.320 0.000 0.000 0.219 236 A C 2.375 179.986 177.584 0.046 0.000 1.158 236 A CA 1.559 53.625 52.037 0.049 0.000 0.661 236 A CB -1.177 17.849 19.000 0.044 0.000 0.801 236 A HN 0.989 nan 8.150 nan 0.000 0.452 237 S N -0.812 114.914 115.700 0.042 0.000 2.535 237 S HA 0.084 4.554 4.470 0.000 0.000 0.214 237 S C -0.045 174.580 174.600 0.043 0.000 0.980 237 S CA -0.326 57.897 58.200 0.038 0.000 0.907 237 S CB -0.140 63.079 63.200 0.032 0.000 0.790 237 S HN 0.352 nan 8.310 nan 0.000 0.510 238 D N 3.042 123.473 120.400 0.051 0.000 2.389 238 D HA 0.488 5.128 4.640 0.000 0.000 0.247 238 D C 0.427 176.771 176.300 0.073 0.000 1.128 238 D CA 0.294 54.331 54.000 0.062 0.000 0.884 238 D CB 1.337 42.178 40.800 0.068 0.000 1.194 238 D HN 0.469 nan 8.370 nan 0.000 0.441 239 A N 1.913 124.780 122.820 0.078 0.000 2.520 239 A HA 0.299 4.619 4.320 0.000 0.000 0.235 239 A C 1.456 179.110 177.584 0.118 0.000 1.065 239 A CA 0.454 52.540 52.037 0.082 0.000 0.764 239 A CB 0.265 19.309 19.000 0.073 0.000 1.002 239 A HN 0.645 nan 8.150 nan 0.000 0.502 240 A N 2.948 125.832 122.820 0.106 0.000 1.917 240 A HA -0.079 4.241 4.320 0.000 0.000 0.219 240 A C -0.155 177.565 177.584 0.227 0.000 1.182 240 A CA 2.158 54.278 52.037 0.139 0.000 0.633 240 A CB -1.704 17.353 19.000 0.095 0.000 0.819 240 A HN 0.647 nan 8.150 nan 0.000 0.448 241 P HA -0.109 nan 4.420 nan 0.000 0.218 241 P C 1.353 178.988 177.300 0.557 0.000 1.148 241 P CA 0.783 64.128 63.100 0.408 0.000 0.822 241 P CB -0.112 31.752 31.700 0.273 0.000 0.784 242 L N -1.019 120.433 121.223 0.381 0.000 2.093 242 L HA -0.183 4.157 4.340 0.000 0.000 0.208 242 L C 2.591 179.562 176.870 0.170 0.000 1.085 242 L CA 1.493 56.475 54.840 0.236 0.000 0.755 242 L CB -0.876 41.280 42.059 0.161 0.000 0.904 242 L HN 0.010 nan 8.230 nan 0.000 0.435 243 Q N -1.042 118.872 119.800 0.190 0.000 2.079 243 Q HA -0.252 4.088 4.340 0.000 0.000 0.200 243 Q C 2.128 178.236 176.000 0.180 0.000 0.974 243 Q CA 1.841 57.735 55.803 0.151 0.000 0.840 243 Q CB -0.360 28.467 28.738 0.148 0.000 0.898 243 Q HN 0.497 nan 8.270 nan 0.000 0.430 244 Y N 1.446 121.843 120.300 0.162 0.000 2.165 244 Y HA -0.272 4.278 4.550 0.000 0.000 0.286 244 Y C 1.969 178.006 175.900 0.229 0.000 1.155 244 Y CA 1.398 59.621 58.100 0.205 0.000 1.164 244 Y CB -0.271 38.363 38.460 0.289 0.000 0.978 244 Y HN 0.121 nan 8.280 nan 0.000 0.513 245 L N 0.896 122.140 121.223 0.035 0.000 2.109 245 L HA 0.071 4.411 4.340 0.000 0.000 0.207 245 L C 2.505 179.335 176.870 -0.068 0.000 1.086 245 L CA 1.889 56.677 54.840 -0.087 0.000 0.760 245 L CB -1.404 40.578 42.059 -0.127 0.000 0.910 245 L HN 0.285 nan 8.230 nan 0.000 0.437 246 A N 0.446 123.229 122.820 -0.061 0.000 1.903 246 A HA -0.192 4.128 4.320 0.000 0.000 0.219 246 A C 0.094 177.624 177.584 -0.091 0.000 1.191 246 A CA 2.325 54.324 52.037 -0.062 0.000 0.638 246 A CB -2.176 16.805 19.000 -0.031 0.000 0.823 246 A HN 0.461 nan 8.150 nan 0.000 0.451 247 P HA -0.146 nan 4.420 nan 0.000 0.215 247 P C 0.924 178.055 177.300 -0.282 0.000 1.153 247 P CA 1.312 64.253 63.100 -0.265 0.000 0.853 247 P CB -0.226 31.032 31.700 -0.736 0.000 0.788 248 Y N -0.483 119.717 120.300 -0.167 0.000 2.200 248 Y HA -0.127 4.423 4.550 0.000 0.000 0.290 248 Y C 2.651 178.505 175.900 -0.077 0.000 1.137 248 Y CA 1.247 59.257 58.100 -0.150 0.000 1.163 248 Y CB -1.260 37.057 38.460 -0.238 0.000 0.988 248 Y HN -0.094 nan 8.280 nan 0.000 0.518 249 S N 0.069 115.800 115.700 0.051 0.000 2.353 249 S HA -0.200 4.270 4.470 0.000 0.000 0.222 249 S C 2.443 177.061 174.600 0.031 0.000 1.035 249 S CA 1.331 59.539 58.200 0.013 0.000 1.025 249 S CB -1.143 62.036 63.200 -0.035 0.000 0.902 249 S HN 0.667 nan 8.310 nan 0.000 0.440 250 G N 0.206 109.026 108.800 0.034 0.000 2.440 250 G HA2 -0.302 3.658 3.960 0.000 0.000 0.218 250 G HA3 -0.302 3.658 3.960 0.000 0.000 0.218 250 G C 1.749 176.699 174.900 0.083 0.000 1.154 250 G CA 1.146 46.275 45.100 0.049 0.000 0.767 250 G HN 0.587 nan 8.290 nan 0.000 0.552 251 C N 0.589 119.963 119.300 0.122 0.000 2.413 251 C HA -0.041 4.419 4.460 0.000 0.000 0.276 251 C C 3.314 178.374 174.990 0.117 0.000 1.236 251 C CA 1.790 60.895 59.018 0.143 0.000 1.735 251 C CB -0.991 26.839 27.740 0.150 0.000 2.031 251 C HN 0.378 nan 8.230 nan 0.000 0.474 252 S N 0.526 116.283 115.700 0.096 0.000 2.382 252 S HA -0.175 4.295 4.470 0.000 0.000 0.228 252 S C 1.718 176.377 174.600 0.097 0.000 1.027 252 S CA 2.046 60.295 58.200 0.082 0.000 0.991 252 S CB -0.390 62.841 63.200 0.052 0.000 0.823 252 S HN 0.662 nan 8.310 nan 0.000 0.469 253 M N 0.973 120.631 119.600 0.096 0.000 2.159 253 M HA -0.048 4.432 4.480 0.000 0.000 0.263 253 M C 2.468 178.936 176.300 0.280 0.000 1.063 253 M CA 1.481 56.856 55.300 0.124 0.000 1.110 253 M CB -0.800 31.864 32.600 0.108 0.000 1.374 253 M HN 0.452 nan 8.290 nan 0.000 0.411 254 G N 0.060 109.018 108.800 0.264 0.000 2.402 254 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 254 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 254 G C 1.331 176.407 174.900 0.293 0.000 1.162 254 G CA 0.573 45.873 45.100 0.332 0.000 0.777 254 G HN 0.482 nan 8.290 nan 0.000 0.539 255 E N -0.530 119.778 120.200 0.180 0.000 2.153 255 E HA -0.171 4.179 4.350 0.000 0.000 0.194 255 E C 1.955 178.600 176.600 0.074 0.000 0.988 255 E CA 0.817 57.285 56.400 0.114 0.000 0.811 255 E CB -0.271 29.480 29.700 0.086 0.000 0.746 255 E HN 0.616 nan 8.360 nan 0.000 0.466 256 Y N 0.625 120.900 120.300 -0.042 0.000 2.114 256 Y HA -0.316 4.234 4.550 0.000 0.000 0.282 256 Y C 1.673 177.429 175.900 -0.240 0.000 1.165 256 Y CA 1.749 59.733 58.100 -0.194 0.000 1.148 256 Y CB -0.478 37.769 38.460 -0.355 0.000 0.972 256 Y HN -0.046 nan 8.280 nan 0.000 0.504 257 F N 0.144 119.954 119.950 -0.234 0.000 2.128 257 F HA -0.081 4.446 4.527 0.000 0.000 0.295 257 F C 2.826 178.480 175.800 -0.242 0.000 1.100 257 F CA 1.724 59.536 58.000 -0.315 0.000 1.260 257 F CB -0.711 38.260 39.000 -0.048 0.000 1.009 257 F HN -0.106 nan 8.300 nan 0.000 0.476 258 R N 0.659 121.200 120.500 0.068 0.000 2.119 258 R HA -0.207 4.133 4.340 0.000 0.000 0.246 258 R C 1.054 177.320 176.300 -0.057 0.000 1.146 258 R CA 2.263 58.363 56.100 -0.000 0.000 0.962 258 R CB -0.443 29.881 30.300 0.039 0.000 0.863 258 R HN 0.204 nan 8.270 nan 0.000 0.442 259 D N -0.653 119.700 120.400 -0.078 0.000 2.339 259 D HA -0.034 4.606 4.640 0.000 0.000 0.217 259 D C 0.457 176.676 176.300 -0.135 0.000 1.050 259 D CA 0.423 54.387 54.000 -0.060 0.000 0.856 259 D CB -0.036 40.753 40.800 -0.019 0.000 0.922 259 D HN 0.187 nan 8.370 nan 0.000 0.518 260 N N 0.086 118.634 118.700 -0.254 0.000 2.276 260 N HA 0.111 4.851 4.740 0.000 0.000 0.212 260 N C 0.967 176.370 175.510 -0.178 0.000 1.127 260 N CA 0.364 53.244 53.050 -0.284 0.000 0.834 260 N CB 0.216 38.364 38.487 -0.565 0.000 1.014 260 N HN 0.068 nan 8.380 nan 0.000 0.491 261 G N 0.310 109.025 108.800 -0.141 0.000 2.179 261 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 261 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 261 G C 0.095 174.877 174.900 -0.198 0.000 1.010 261 G CA 0.606 45.626 45.100 -0.133 0.000 0.736 261 G HN 0.423 nan 8.290 nan 0.000 0.513 262 K N -0.747 119.532 120.400 -0.202 0.000 2.303 262 K HA 0.678 4.998 4.320 0.000 0.000 0.233 262 K C -0.436 175.970 176.600 -0.323 0.000 1.046 262 K CA -0.994 55.210 56.287 -0.138 0.000 0.895 262 K CB 1.080 33.679 32.500 0.165 0.000 1.220 262 K HN 0.293 nan 8.250 nan 0.000 0.470 263 H N -0.376 118.785 119.070 0.152 0.000 2.609 263 H HA 0.494 5.050 4.556 0.000 0.000 0.344 263 H C -1.078 174.272 175.328 0.037 0.000 1.040 263 H CA -0.680 55.405 56.048 0.061 0.000 1.216 263 H CB 1.934 31.682 29.762 -0.024 0.000 1.529 263 H HN 0.676 nan 8.280 nan 0.000 0.519 264 A N 3.005 125.895 122.820 0.117 0.000 2.380 264 A HA 0.586 4.906 4.320 0.000 0.000 0.315 264 A C -1.260 176.333 177.584 0.015 0.000 1.101 264 A CA -0.701 51.344 52.037 0.015 0.000 0.771 264 A CB 1.897 20.921 19.000 0.040 0.000 1.287 264 A HN 0.468 nan 8.150 nan 0.000 0.436 265 L N 1.628 122.840 121.223 -0.019 0.000 2.362 265 L HA 0.804 5.144 4.340 0.000 0.000 0.275 265 L C -1.055 175.778 176.870 -0.061 0.000 0.998 265 L CA -0.430 54.392 54.840 -0.030 0.000 0.820 265 L CB 1.325 43.372 42.059 -0.020 0.000 1.270 265 L HN 0.682 nan 8.230 nan 0.000 0.415 266 I N 5.106 125.593 120.570 -0.138 0.000 2.465 266 I HA 0.540 4.710 4.170 0.000 0.000 0.291 266 I C -1.289 174.564 176.117 -0.440 0.000 1.014 266 I CA -0.598 60.524 61.300 -0.298 0.000 1.093 266 I CB 1.548 39.308 38.000 -0.399 0.000 1.267 266 I HN 0.615 nan 8.210 nan 0.000 0.431 267 I N 7.881 128.203 120.570 -0.414 0.000 2.354 267 I HA 0.259 4.429 4.170 0.000 0.000 0.292 267 I C -1.121 174.655 176.117 -0.569 0.000 0.989 267 I CA -0.104 60.972 61.300 -0.374 0.000 1.188 267 I CB 1.149 39.083 38.000 -0.110 0.000 1.342 267 I HN 0.357 nan 8.210 nan 0.000 0.457 268 Y N 4.097 124.271 120.300 -0.210 0.000 2.595 268 Y HA 0.350 4.900 4.550 0.000 0.000 0.336 268 Y C -0.029 175.724 175.900 -0.245 0.000 0.996 268 Y CA -0.667 57.280 58.100 -0.256 0.000 1.260 268 Y CB 0.594 38.905 38.460 -0.247 0.000 1.108 268 Y HN 0.424 nan 8.280 nan 0.000 0.509 269 D N 3.776 124.051 120.400 -0.208 0.000 2.458 269 D HA 0.178 4.818 4.640 0.000 0.000 0.258 269 D C -1.250 174.995 176.300 -0.091 0.000 1.134 269 D CA -0.410 53.496 54.000 -0.157 0.000 0.915 269 D CB 0.222 40.892 40.800 -0.217 0.000 1.028 269 D HN 0.671 nan 8.370 nan 0.000 0.508 270 D N 0.190 120.568 120.400 -0.038 0.000 2.552 270 D HA 0.229 4.869 4.640 0.000 0.000 0.239 270 D C 0.883 177.156 176.300 -0.045 0.000 1.139 270 D CA -0.751 53.228 54.000 -0.034 0.000 0.914 270 D CB 1.110 41.903 40.800 -0.011 0.000 1.461 270 D HN 0.062 nan 8.370 nan 0.000 0.462 271 L N 0.332 121.491 121.223 -0.106 0.000 2.376 271 L HA -0.031 4.309 4.340 0.000 0.000 0.219 271 L C 1.791 178.646 176.870 -0.025 0.000 1.133 271 L CA 0.529 55.256 54.840 -0.188 0.000 0.816 271 L CB -0.383 41.316 42.059 -0.599 0.000 0.933 271 L HN 0.434 nan 8.230 nan 0.000 0.449 272 S N 0.199 115.900 115.700 0.002 0.000 2.356 272 S HA -0.167 4.303 4.470 0.000 0.000 0.223 272 S C 1.962 176.633 174.600 0.118 0.000 1.032 272 S CA 1.297 59.539 58.200 0.070 0.000 1.005 272 S CB -0.045 63.191 63.200 0.059 0.000 0.867 272 S HN 0.390 nan 8.310 nan 0.000 0.449 273 K N 0.967 121.421 120.400 0.090 0.000 2.097 273 K HA -0.060 4.260 4.320 0.000 0.000 0.205 273 K C 2.467 179.148 176.600 0.135 0.000 1.050 273 K CA 0.783 57.133 56.287 0.105 0.000 0.938 273 K CB -0.156 32.388 32.500 0.074 0.000 0.718 273 K HN 0.318 nan 8.250 nan 0.000 0.442 274 Q N 0.737 120.611 119.800 0.123 0.000 2.061 274 Q HA -0.192 4.148 4.340 0.000 0.000 0.204 274 Q C 2.085 178.233 176.000 0.246 0.000 0.984 274 Q CA 1.846 57.745 55.803 0.161 0.000 0.846 274 Q CB -0.133 28.663 28.738 0.097 0.000 0.902 274 Q HN 0.331 nan 8.270 nan 0.000 0.421 275 A N -0.051 122.921 122.820 0.253 0.000 1.940 275 A HA -0.138 4.182 4.320 0.000 0.000 0.219 275 A C 2.242 180.068 177.584 0.404 0.000 1.176 275 A CA 1.550 53.735 52.037 0.247 0.000 0.631 275 A CB -0.673 18.371 19.000 0.073 0.000 0.814 275 A HN 0.304 nan 8.150 nan 0.000 0.446 276 V N -0.230 119.889 119.914 0.342 0.000 2.295 276 V HA -0.253 3.867 4.120 0.000 0.000 0.246 276 V C 3.066 179.275 176.094 0.191 0.000 1.049 276 V CA 1.943 64.402 62.300 0.266 0.000 1.024 276 V CB -1.235 30.700 31.823 0.187 0.000 0.648 276 V HN 0.624 nan 8.190 nan 0.000 0.447 277 A N -0.964 121.978 122.820 0.203 0.000 1.908 277 A HA -0.289 4.031 4.320 0.000 0.000 0.218 277 A C 2.183 179.897 177.584 0.216 0.000 1.181 277 A CA 2.196 54.348 52.037 0.191 0.000 0.627 277 A CB -0.818 18.314 19.000 0.220 0.000 0.818 277 A HN 0.611 nan 8.150 nan 0.000 0.445 278 Y N 0.328 120.718 120.300 0.150 0.000 2.224 278 Y HA -0.175 4.375 4.550 0.000 0.000 0.289 278 Y C 2.516 178.452 175.900 0.060 0.000 1.146 278 Y CA 1.920 60.076 58.100 0.092 0.000 1.182 278 Y CB -0.385 38.168 38.460 0.155 0.000 0.983 278 Y HN 0.348 nan 8.280 nan 0.000 0.524 279 R N 0.210 120.769 120.500 0.099 0.000 2.081 279 R HA -0.242 4.098 4.340 0.000 0.000 0.235 279 R C 2.441 178.677 176.300 -0.107 0.000 1.131 279 R CA 1.861 57.944 56.100 -0.028 0.000 0.960 279 R CB -0.399 29.892 30.300 -0.015 0.000 0.856 279 R HN 0.545 nan 8.270 nan 0.000 0.436 280 Q N 0.343 120.112 119.800 -0.051 0.000 2.030 280 Q HA -0.238 4.102 4.340 0.000 0.000 0.204 280 Q C 2.095 178.031 176.000 -0.105 0.000 0.986 280 Q CA 2.334 58.102 55.803 -0.058 0.000 0.843 280 Q CB -0.110 28.622 28.738 -0.011 0.000 0.904 280 Q HN 0.419 nan 8.270 nan 0.000 0.420 281 M N -0.107 119.408 119.600 -0.140 0.000 2.080 281 M HA -0.182 4.298 4.480 0.000 0.000 0.260 281 M C 2.365 178.509 176.300 -0.259 0.000 1.068 281 M CA 1.785 56.965 55.300 -0.199 0.000 1.109 281 M CB -0.108 32.339 32.600 -0.254 0.000 1.342 281 M HN 0.129 nan 8.290 nan 0.000 0.405 282 S N 0.660 116.135 115.700 -0.376 0.000 2.368 282 S HA -0.028 4.442 4.470 0.000 0.000 0.224 282 S C 1.879 176.369 174.600 -0.183 0.000 1.029 282 S CA 1.060 59.057 58.200 -0.339 0.000 0.988 282 S CB -0.398 62.544 63.200 -0.430 0.000 0.838 282 S HN 0.377 nan 8.310 nan 0.000 0.462 283 L N 1.015 122.148 121.223 -0.149 0.000 2.093 283 L HA -0.027 4.313 4.340 0.000 0.000 0.208 283 L C 2.125 178.944 176.870 -0.085 0.000 1.085 283 L CA 0.898 55.678 54.840 -0.100 0.000 0.755 283 L CB -0.517 41.489 42.059 -0.089 0.000 0.904 283 L HN 0.283 nan 8.230 nan 0.000 0.435 284 L N -0.630 120.537 121.223 -0.093 0.000 2.141 284 L HA -0.178 4.162 4.340 0.000 0.000 0.209 284 L C 2.216 179.041 176.870 -0.074 0.000 1.094 284 L CA 0.882 55.677 54.840 -0.075 0.000 0.763 284 L CB -0.286 41.728 42.059 -0.074 0.000 0.908 284 L HN 0.282 nan 8.230 nan 0.000 0.437 285 L N -0.322 120.845 121.223 -0.094 0.000 2.610 285 L HA -0.008 4.332 4.340 0.000 0.000 0.232 285 L C 0.745 177.579 176.870 -0.061 0.000 1.149 285 L CA 0.249 55.041 54.840 -0.080 0.000 0.872 285 L CB -0.242 41.757 42.059 -0.100 0.000 0.992 285 L HN 0.288 nan 8.230 nan 0.000 0.447 286 R N -0.293 120.171 120.500 -0.060 0.000 3.651 286 R HA -0.177 4.163 4.340 0.000 0.000 0.292 286 R C -0.032 176.245 176.300 -0.039 0.000 1.161 286 R CA 0.361 56.434 56.100 -0.045 0.000 0.787 286 R CB -1.989 28.291 30.300 -0.033 0.000 1.249 286 R HN 0.395 nan 8.270 nan 0.000 0.476 287 R N 1.320 121.790 120.500 -0.049 0.000 2.539 287 R HA 0.187 4.527 4.340 0.000 0.000 0.275 287 R C -2.028 174.259 176.300 -0.021 0.000 1.077 287 R CA -1.590 54.490 56.100 -0.033 0.000 1.097 287 R CB 0.277 30.551 30.300 -0.044 0.000 1.018 287 R HN -0.105 nan 8.270 nan 0.000 0.483 288 P HA 0.079 nan 4.420 nan 0.000 0.270 288 P C -2.301 175.007 177.300 0.014 0.000 1.242 288 P CA -1.037 62.065 63.100 0.002 0.000 0.768 288 P CB 0.106 31.812 31.700 0.010 0.000 0.820 289 P HA 0.269 nan 4.420 nan 0.000 0.274 289 P C 0.254 177.572 177.300 0.031 0.000 1.231 289 P CA 0.026 63.136 63.100 0.018 0.000 0.790 289 P CB 1.196 32.888 31.700 -0.013 0.000 0.951 290 G N 1.067 109.906 108.800 0.064 0.000 3.286 290 G HA2 0.309 4.269 3.960 0.000 0.000 0.166 290 G HA3 0.309 4.269 3.960 0.000 0.000 0.166 290 G C -0.508 174.401 174.900 0.014 0.000 1.155 290 G CA -0.849 44.271 45.100 0.034 0.000 0.871 290 G HN 0.413 nan 8.290 nan 0.000 0.637 291 R N 1.044 121.500 120.500 -0.074 0.000 2.494 291 R HA 0.078 4.418 4.340 0.000 0.000 0.291 291 R C 0.123 176.513 176.300 0.150 0.000 0.953 291 R CA 0.873 56.905 56.100 -0.113 0.000 1.098 291 R CB -0.199 29.736 30.300 -0.607 0.000 0.911 291 R HN 0.680 nan 8.270 nan 0.000 0.407 292 E N 2.271 122.540 120.200 0.115 0.000 2.494 292 E HA -0.353 3.997 4.350 0.000 0.000 0.249 292 E C 0.316 176.878 176.600 -0.062 0.000 1.184 292 E CA 0.483 56.949 56.400 0.110 0.000 0.727 292 E CB -0.942 28.945 29.700 0.311 0.000 1.281 292 E HN 0.880 nan 8.360 nan 0.000 0.405 293 A N -2.329 120.474 122.820 -0.028 0.000 2.979 293 A HA -0.306 4.013 4.320 0.000 0.000 0.260 293 A C 0.080 177.606 177.584 -0.097 0.000 1.282 293 A CA 1.744 53.731 52.037 -0.083 0.000 0.971 293 A CB -2.176 16.741 19.000 -0.137 0.000 1.124 293 A HN 0.467 nan 8.150 nan 0.000 0.826 294 Y N 0.609 120.995 120.300 0.142 0.000 2.326 294 Y HA 0.426 4.976 4.550 0.000 0.000 0.333 294 Y C -1.155 174.843 175.900 0.163 0.000 1.240 294 Y CA -1.071 57.136 58.100 0.177 0.000 1.365 294 Y CB 0.448 39.084 38.460 0.293 0.000 1.289 294 Y HN 0.263 nan 8.280 nan 0.000 0.548 295 P HA 0.039 nan 4.420 nan 0.000 0.274 295 P C 0.427 177.894 177.300 0.278 0.000 1.246 295 P CA -0.103 63.120 63.100 0.205 0.000 0.795 295 P CB 0.982 32.755 31.700 0.121 0.000 1.006 296 G N 1.304 110.235 108.800 0.217 0.000 2.470 296 G HA2 -0.202 3.758 3.960 0.000 0.000 0.220 296 G HA3 -0.202 3.758 3.960 0.000 0.000 0.220 296 G C 0.716 175.770 174.900 0.257 0.000 1.121 296 G CA 0.522 45.757 45.100 0.226 0.000 0.766 296 G HN 0.620 nan 8.290 nan 0.000 0.553 297 D N 0.317 120.883 120.400 0.276 0.000 2.325 297 D HA 0.064 4.704 4.640 0.000 0.000 0.225 297 D C 1.853 178.324 176.300 0.284 0.000 1.096 297 D CA -0.279 53.914 54.000 0.322 0.000 0.844 297 D CB 0.057 41.074 40.800 0.360 0.000 0.925 297 D HN 0.127 nan 8.370 nan 0.000 0.513 298 V N -0.087 119.970 119.914 0.238 0.000 2.626 298 V HA -0.140 3.979 4.120 0.000 0.000 0.252 298 V C 1.805 177.822 176.094 -0.128 0.000 1.067 298 V CA 1.164 63.487 62.300 0.039 0.000 1.081 298 V CB -0.722 31.096 31.823 -0.008 0.000 0.686 298 V HN 0.208 nan 8.190 nan 0.000 0.468 299 F N 0.252 120.142 119.950 -0.099 0.000 2.075 299 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 299 F C 2.167 177.980 175.800 0.021 0.000 1.113 299 F CA 2.403 60.364 58.000 -0.065 0.000 1.218 299 F CB -0.784 38.229 39.000 0.020 0.000 0.984 299 F HN 0.348 nan 8.300 nan 0.000 0.472 300 Y N 0.722 120.924 120.300 -0.163 0.000 2.274 300 Y HA -0.159 4.391 4.550 -0.000 0.000 0.290 300 Y C 2.141 177.892 175.900 -0.248 0.000 1.145 300 Y CA 1.461 59.417 58.100 -0.240 0.000 1.203 300 Y CB -0.911 37.552 38.460 0.005 0.000 0.984 300 Y HN 0.249 nan 8.280 nan 0.000 0.533 301 L N -0.118 120.891 121.223 -0.357 0.000 2.021 301 L HA -0.308 4.032 4.340 0.000 0.000 0.215 301 L C 2.152 178.823 176.870 -0.332 0.000 1.074 301 L CA 2.523 57.095 54.840 -0.447 0.000 0.760 301 L CB -0.764 40.955 42.059 -0.567 0.000 0.889 301 L HN 0.385 nan 8.230 nan 0.000 0.433 302 H N -2.181 116.671 119.070 -0.364 0.000 2.465 302 H HA 0.011 4.567 4.556 0.000 0.000 0.289 302 H C 2.356 177.437 175.328 -0.412 0.000 1.022 302 H CA 0.677 56.492 56.048 -0.387 0.000 1.340 302 H CB 0.144 29.708 29.762 -0.330 0.000 1.437 302 H HN 0.538 nan 8.280 nan 0.000 0.539 303 S N 1.648 117.091 115.700 -0.428 0.000 2.368 303 S HA -0.193 4.277 4.470 0.000 0.000 0.224 303 S C 2.122 176.590 174.600 -0.218 0.000 1.029 303 S CA 0.986 58.928 58.200 -0.430 0.000 0.988 303 S CB -0.170 62.536 63.200 -0.823 0.000 0.838 303 S HN 0.518 nan 8.310 nan 0.000 0.462 304 R N 0.667 121.023 120.500 -0.240 0.000 2.115 304 R HA 0.094 4.434 4.340 0.000 0.000 0.230 304 R C 2.327 178.570 176.300 -0.095 0.000 1.111 304 R CA 1.177 57.185 56.100 -0.154 0.000 0.976 304 R CB -0.857 29.250 30.300 -0.322 0.000 0.870 304 R HN 0.444 nan 8.270 nan 0.000 0.445 305 L N 1.487 122.636 121.223 -0.123 0.000 1.976 305 L HA -0.064 4.276 4.340 0.000 0.000 0.209 305 L C 2.161 178.943 176.870 -0.147 0.000 1.071 305 L CA 1.684 56.420 54.840 -0.174 0.000 0.746 305 L CB -0.338 41.438 42.059 -0.473 0.000 0.890 305 L HN 0.211 nan 8.230 nan 0.000 0.432 306 L N -0.694 120.434 121.223 -0.159 0.000 2.313 306 L HA -0.058 4.282 4.340 0.000 0.000 0.214 306 L C 2.428 179.285 176.870 -0.022 0.000 1.119 306 L CA 0.409 55.206 54.840 -0.071 0.000 0.809 306 L CB -0.588 41.417 42.059 -0.090 0.000 0.933 306 L HN 0.314 nan 8.230 nan 0.000 0.449 307 E N 0.549 120.729 120.200 -0.033 0.000 2.265 307 E HA -0.190 4.160 4.350 0.000 0.000 0.196 307 E C 2.127 178.729 176.600 0.004 0.000 0.996 307 E CA 0.874 57.269 56.400 -0.007 0.000 0.832 307 E CB 0.052 29.751 29.700 -0.002 0.000 0.756 307 E HN 0.500 nan 8.360 nan 0.000 0.491 308 R N 0.367 120.874 120.500 0.011 0.000 2.193 308 R HA 0.092 4.432 4.340 0.000 0.000 0.213 308 R C 0.969 177.293 176.300 0.040 0.000 1.055 308 R CA 0.399 56.515 56.100 0.027 0.000 0.995 308 R CB 0.061 30.386 30.300 0.041 0.000 0.893 308 R HN -0.074 nan 8.270 nan 0.000 0.459 309 A N 1.316 124.165 122.820 0.049 0.000 2.492 309 A HA 0.538 4.858 4.320 0.000 0.000 0.254 309 A C -0.122 177.477 177.584 0.025 0.000 1.091 309 A CA 0.276 52.340 52.037 0.046 0.000 0.768 309 A CB 0.214 19.246 19.000 0.052 0.000 1.028 309 A HN 0.331 nan 8.150 nan 0.000 0.498 310 A N 2.306 125.138 122.820 0.022 0.000 2.601 310 A HA 0.697 5.017 4.320 0.000 0.000 0.291 310 A C -0.852 176.740 177.584 0.013 0.000 1.075 310 A CA -0.728 51.312 52.037 0.005 0.000 0.671 310 A CB 1.052 20.041 19.000 -0.018 0.000 1.277 310 A HN 0.970 nan 8.150 nan 0.000 0.417 311 K N 1.457 121.860 120.400 0.004 0.000 2.307 311 K HA 0.670 4.990 4.320 0.000 0.000 0.263 311 K C -0.763 175.833 176.600 -0.007 0.000 0.973 311 K CA -0.337 55.962 56.287 0.019 0.000 0.846 311 K CB 0.694 33.209 32.500 0.025 0.000 1.100 311 K HN 0.600 nan 8.250 nan 0.000 0.438 312 M N 3.238 122.840 119.600 0.004 0.000 2.277 312 M HA 0.250 4.730 4.480 0.000 0.000 0.350 312 M C 0.098 176.418 176.300 0.033 0.000 1.180 312 M CA -0.915 54.376 55.300 -0.014 0.000 1.103 312 M CB 0.589 33.203 32.600 0.023 0.000 1.577 312 M HN 0.772 nan 8.290 nan 0.000 0.459 313 N N 1.188 119.910 118.700 0.038 0.000 2.288 313 N HA 0.022 4.762 4.740 0.000 0.000 0.237 313 N C 0.088 175.673 175.510 0.125 0.000 1.311 313 N CA -0.099 52.999 53.050 0.082 0.000 0.909 313 N CB 0.465 39.005 38.487 0.089 0.000 1.167 313 N HN 0.424 nan 8.380 nan 0.000 0.476 314 D N -0.620 119.837 120.400 0.094 0.000 2.178 314 D HA -0.102 4.538 4.640 0.000 0.000 0.201 314 D C 1.666 178.010 176.300 0.074 0.000 0.980 314 D CA 1.550 55.594 54.000 0.073 0.000 0.842 314 D CB -0.593 40.236 40.800 0.048 0.000 0.948 314 D HN 0.710 nan 8.370 nan 0.000 0.472 315 A N -0.053 122.829 122.820 0.103 0.000 1.969 315 A HA -0.118 4.202 4.320 0.000 0.000 0.218 315 A C 1.606 179.166 177.584 -0.039 0.000 1.169 315 A CA 0.751 52.813 52.037 0.041 0.000 0.635 315 A CB -0.668 18.370 19.000 0.063 0.000 0.810 315 A HN 0.150 nan 8.150 nan 0.000 0.445 316 F N -0.988 118.954 119.950 -0.014 0.000 2.765 316 F HA 0.352 4.879 4.527 -0.000 0.000 0.302 316 F C 1.843 177.622 175.800 -0.035 0.000 1.111 316 F CA 0.713 58.700 58.000 -0.021 0.000 1.359 316 F CB 0.399 39.389 39.000 -0.017 0.000 1.097 316 F HN 0.372 nan 8.300 nan 0.000 0.577 317 G N -0.729 108.123 108.800 0.087 0.000 2.218 317 G HA2 -0.094 3.866 3.960 0.000 0.000 0.216 317 G HA3 -0.094 3.866 3.960 0.000 0.000 0.216 317 G C 1.193 176.104 174.900 0.017 0.000 0.994 317 G CA -0.155 44.959 45.100 0.024 0.000 0.637 317 G HN 0.975 nan 8.290 nan 0.000 0.505 318 G N -0.435 108.396 108.800 0.051 0.000 2.148 318 G HA2 0.194 4.154 3.960 0.000 0.000 0.254 318 G HA3 0.194 4.154 3.960 0.000 0.000 0.254 318 G C 1.402 176.301 174.900 -0.001 0.000 0.981 318 G CA 1.092 46.221 45.100 0.048 0.000 0.670 318 G HN 2.048 nan 8.290 nan 0.000 0.528 319 G N -0.641 108.103 108.800 -0.094 0.000 2.563 319 G HA2 0.815 4.775 3.960 0.000 0.000 0.283 319 G HA3 0.815 4.775 3.960 0.000 0.000 0.283 319 G C 0.264 175.105 174.900 -0.098 0.000 1.309 319 G CA 0.797 45.719 45.100 -0.296 0.000 1.022 319 G HN 1.867 nan 8.290 nan 0.000 0.501 320 S N -1.931 113.731 115.700 -0.063 0.000 2.565 320 S HA 0.581 5.051 4.470 0.000 0.000 0.269 320 S C -1.650 173.006 174.600 0.094 0.000 1.153 320 S CA -0.779 57.480 58.200 0.099 0.000 0.835 320 S CB 1.828 65.175 63.200 0.245 0.000 1.122 320 S HN 1.168 nan 8.310 nan 0.000 0.462 321 L N 1.588 122.856 121.223 0.075 0.000 2.406 321 L HA 0.739 5.079 4.340 0.000 0.000 0.272 321 L C -0.731 176.166 176.870 0.045 0.000 0.980 321 L CA 0.215 55.095 54.840 0.068 0.000 0.831 321 L CB 1.917 44.019 42.059 0.071 0.000 1.253 321 L HN 0.929 nan 8.230 nan 0.000 0.406 322 T N 4.163 118.733 114.554 0.026 0.000 2.829 322 T HA 0.827 5.177 4.350 0.000 0.000 0.282 322 T C -0.273 174.415 174.700 -0.020 0.000 0.990 322 T CA -0.226 61.877 62.100 0.005 0.000 1.028 322 T CB 1.417 70.280 68.868 -0.008 0.000 0.951 322 T HN 0.799 nan 8.240 nan 0.000 0.460 323 A N 3.200 126.014 122.820 -0.010 0.000 2.331 323 A HA 0.752 5.072 4.320 0.000 0.000 0.320 323 A C -0.534 177.034 177.584 -0.027 0.000 1.138 323 A CA -0.762 51.255 52.037 -0.035 0.000 0.790 323 A CB 0.547 19.602 19.000 0.092 0.000 1.206 323 A HN 0.861 nan 8.150 nan 0.000 0.470 324 L N 4.518 125.694 121.223 -0.078 0.000 2.435 324 L HA 0.332 4.672 4.340 0.000 0.000 0.253 324 L C -2.295 174.563 176.870 -0.019 0.000 1.087 324 L CA -1.744 53.075 54.840 -0.034 0.000 0.950 324 L CB 1.295 43.336 42.059 -0.030 0.000 1.304 324 L HN 0.490 nan 8.230 nan 0.000 0.453 325 P HA 0.147 nan 4.420 nan 0.000 0.274 325 P C -0.533 176.769 177.300 0.003 0.000 1.231 325 P CA -0.161 62.986 63.100 0.078 0.000 0.790 325 P CB 2.081 33.796 31.700 0.025 0.000 0.951 326 V N 3.994 123.899 119.914 -0.015 0.000 2.495 326 V HA 0.399 4.519 4.120 0.000 0.000 0.298 326 V C 0.295 176.368 176.094 -0.035 0.000 1.031 326 V CA -0.605 61.685 62.300 -0.015 0.000 0.871 326 V CB 1.724 33.544 31.823 -0.005 0.000 0.988 326 V HN 0.417 nan 8.190 nan 0.000 0.432 327 I N 3.384 123.946 120.570 -0.014 0.000 2.498 327 I HA 0.433 4.603 4.170 0.000 0.000 0.290 327 I C -0.005 176.125 176.117 0.023 0.000 1.032 327 I CA -0.423 60.872 61.300 -0.008 0.000 1.073 327 I CB 2.095 40.090 38.000 -0.009 0.000 1.251 327 I HN 0.745 nan 8.210 nan 0.000 0.426 328 E N 4.851 125.068 120.200 0.028 0.000 2.146 328 E HA 0.348 4.698 4.350 0.000 0.000 0.282 328 E C -0.438 176.198 176.600 0.059 0.000 0.989 328 E CA -0.366 56.056 56.400 0.038 0.000 0.799 328 E CB 1.114 30.834 29.700 0.034 0.000 1.088 328 E HN 0.701 nan 8.360 nan 0.000 0.397 329 T N 1.948 116.547 114.554 0.074 0.000 2.881 329 T HA 0.300 4.650 4.350 0.000 0.000 0.278 329 T C -0.003 174.744 174.700 0.077 0.000 0.982 329 T CA -0.990 61.165 62.100 0.093 0.000 0.989 329 T CB 1.394 70.348 68.868 0.143 0.000 1.058 329 T HN 0.328 nan 8.240 nan 0.000 0.529 330 Q N 0.383 120.232 119.800 0.081 0.000 2.348 330 Q HA 0.537 4.877 4.340 0.000 0.000 0.265 330 Q C 0.387 176.429 176.000 0.070 0.000 0.998 330 Q CA -0.100 55.744 55.803 0.068 0.000 0.831 330 Q CB 1.158 29.938 28.738 0.069 0.000 1.251 330 Q HN 1.214 nan 8.270 nan 0.000 0.456 331 A N 2.336 125.192 122.820 0.060 0.000 2.822 331 A HA -0.160 4.160 4.320 0.000 0.000 0.287 331 A C 1.131 178.767 177.584 0.088 0.000 1.479 331 A CA 1.513 53.586 52.037 0.059 0.000 0.779 331 A CB -2.114 16.915 19.000 0.048 0.000 1.022 331 A HN 1.553 nan 8.150 nan 0.000 0.532 332 G N -1.277 107.598 108.800 0.126 0.000 2.162 332 G HA2 -0.209 3.751 3.960 0.000 0.000 0.260 332 G HA3 -0.209 3.751 3.960 0.000 0.000 0.260 332 G C -0.017 174.991 174.900 0.180 0.000 0.976 332 G CA 1.082 46.316 45.100 0.224 0.000 0.655 332 G HN 1.788 nan 8.290 nan 0.000 0.533 333 D N 0.824 121.292 120.400 0.113 0.000 2.435 333 D HA 0.381 5.021 4.640 0.000 0.000 0.230 333 D C 1.864 178.194 176.300 0.050 0.000 1.215 333 D CA 0.313 54.353 54.000 0.067 0.000 0.947 333 D CB 0.585 41.422 40.800 0.063 0.000 1.048 333 D HN 0.633 nan 8.370 nan 0.000 0.512 334 V N 1.743 121.652 119.914 -0.007 0.000 3.217 334 V HA -0.052 4.068 4.120 0.000 0.000 0.264 334 V C 1.594 177.680 176.094 -0.014 0.000 1.135 334 V CA 1.398 63.672 62.300 -0.042 0.000 1.142 334 V CB -0.603 31.105 31.823 -0.191 0.000 0.754 334 V HN 0.473 nan 8.190 nan 0.000 0.484 335 S N 0.406 116.108 115.700 0.002 0.000 2.593 335 S HA 0.488 4.957 4.470 0.000 0.000 0.217 335 S C 1.105 175.738 174.600 0.055 0.000 0.966 335 S CA 0.219 58.429 58.200 0.018 0.000 0.914 335 S CB -0.361 62.843 63.200 0.008 0.000 0.776 335 S HN 1.119 nan 8.310 nan 0.000 0.523 336 A N 0.894 123.758 122.820 0.073 0.000 2.366 336 A HA 0.408 4.728 4.320 0.000 0.000 0.250 336 A C 0.788 178.474 177.584 0.170 0.000 1.099 336 A CA -0.215 51.893 52.037 0.118 0.000 0.794 336 A CB -0.389 18.683 19.000 0.120 0.000 1.056 336 A HN 0.523 nan 8.150 nan 0.000 0.499 337 Y N 0.155 120.482 120.300 0.045 0.000 2.070 337 Y HA -0.236 4.314 4.550 -0.000 0.000 0.280 337 Y C 1.875 177.775 175.900 -0.001 0.000 1.148 337 Y CA 1.877 59.995 58.100 0.030 0.000 1.125 337 Y CB -0.032 38.463 38.460 0.058 0.000 0.975 337 Y HN 0.513 nan 8.280 nan 0.000 0.492 338 I N 0.453 120.958 120.570 -0.109 0.000 2.202 338 I HA -0.160 4.010 4.170 0.000 0.000 0.242 338 I C -0.611 175.467 176.117 -0.064 0.000 1.091 338 I CA 1.125 62.284 61.300 -0.234 0.000 1.368 338 I CB -2.877 34.962 38.000 -0.267 0.000 1.058 338 I HN 0.200 nan 8.210 nan 0.000 0.410 339 P HA -0.154 nan 4.420 nan 0.000 0.215 339 P C 1.839 179.153 177.300 0.023 0.000 1.157 339 P CA 2.514 65.625 63.100 0.017 0.000 0.874 339 P CB -0.299 31.423 31.700 0.036 0.000 0.790 340 T N -3.431 111.149 114.554 0.043 0.000 2.746 340 T HA -0.151 4.199 4.350 0.000 0.000 0.267 340 T C 1.729 176.472 174.700 0.072 0.000 1.039 340 T CA 1.355 63.487 62.100 0.053 0.000 1.142 340 T CB -1.292 67.620 68.868 0.073 0.000 0.866 340 T HN -0.041 nan 8.240 nan 0.000 0.444 341 N N 1.465 120.207 118.700 0.071 0.000 2.060 341 N HA -0.093 4.647 4.740 0.000 0.000 0.195 341 N C 1.930 177.551 175.510 0.185 0.000 1.028 341 N CA 1.451 54.597 53.050 0.161 0.000 0.861 341 N CB -0.881 37.643 38.487 0.062 0.000 1.029 341 N HN 0.377 nan 8.380 nan 0.000 0.428 342 V N 1.087 121.049 119.914 0.080 0.000 2.488 342 V HA -0.069 4.051 4.120 0.000 0.000 0.246 342 V C 2.211 178.329 176.094 0.040 0.000 1.046 342 V CA 0.853 63.172 62.300 0.031 0.000 1.053 342 V CB -0.379 31.412 31.823 -0.053 0.000 0.679 342 V HN 0.218 nan 8.190 nan 0.000 0.458 343 I N 1.520 122.114 120.570 0.040 0.000 2.248 343 I HA -0.245 3.925 4.170 0.000 0.000 0.248 343 I C 2.445 178.597 176.117 0.059 0.000 1.107 343 I CA 1.992 63.314 61.300 0.036 0.000 1.373 343 I CB -0.388 37.623 38.000 0.018 0.000 1.055 343 I HN 0.481 nan 8.210 nan 0.000 0.418 344 S N -0.214 115.545 115.700 0.098 0.000 2.603 344 S HA 0.126 4.596 4.470 0.000 0.000 0.220 344 S C 1.507 176.224 174.600 0.195 0.000 0.967 344 S CA 0.242 58.519 58.200 0.128 0.000 0.920 344 S CB -0.313 62.957 63.200 0.118 0.000 0.773 344 S HN 0.445 nan 8.310 nan 0.000 0.529 345 I N 1.375 122.038 120.570 0.156 0.000 3.136 345 I HA 0.081 4.251 4.170 0.000 0.000 0.262 345 I C 1.476 177.624 176.117 0.052 0.000 1.132 345 I CA 0.537 61.901 61.300 0.107 0.000 1.450 345 I CB -0.380 37.633 38.000 0.022 0.000 1.315 345 I HN 0.321 nan 8.210 nan 0.000 0.460 346 T N -1.264 113.311 114.554 0.034 0.000 2.726 346 T HA 0.078 4.428 4.350 0.000 0.000 0.294 346 T C 0.178 174.894 174.700 0.027 0.000 1.013 346 T CA -0.359 61.755 62.100 0.022 0.000 0.996 346 T CB 0.563 69.439 68.868 0.013 0.000 1.016 346 T HN 0.045 nan 8.240 nan 0.000 0.529 347 D N 0.701 121.115 120.400 0.022 0.000 2.894 347 D HA 0.452 5.092 4.640 0.000 0.000 0.248 347 D C 0.912 177.224 176.300 0.020 0.000 1.291 347 D CA 0.224 54.236 54.000 0.021 0.000 0.840 347 D CB -0.313 40.497 40.800 0.017 0.000 1.044 347 D HN 1.029 nan 8.370 nan 0.000 0.484 348 G N 0.777 109.590 108.800 0.022 0.000 2.381 348 G HA2 0.127 4.087 3.960 0.000 0.000 0.672 348 G HA3 0.127 4.087 3.960 0.000 0.000 0.672 348 G C -1.646 173.271 174.900 0.029 0.000 1.324 348 G CA -1.065 44.049 45.100 0.024 0.000 0.975 348 G HN 0.120 nan 8.290 nan 0.000 0.593 349 Q N -1.282 118.541 119.800 0.038 0.000 2.418 349 Q HA 0.729 5.069 4.340 0.000 0.000 0.282 349 Q C -0.672 175.378 176.000 0.082 0.000 1.044 349 Q CA -0.627 55.210 55.803 0.057 0.000 0.813 349 Q CB 2.327 31.101 28.738 0.059 0.000 1.428 349 Q HN 0.710 nan 8.270 nan 0.000 0.402 350 I N 1.941 122.568 120.570 0.095 0.000 2.328 350 I HA 0.352 4.522 4.170 0.000 0.000 0.287 350 I C -1.021 175.201 176.117 0.175 0.000 1.012 350 I CA -0.677 60.689 61.300 0.110 0.000 1.195 350 I CB 0.572 38.612 38.000 0.067 0.000 1.350 350 I HN 0.504 nan 8.210 nan 0.000 0.464 351 F N 8.165 128.127 119.950 0.021 0.000 2.411 351 F HA 0.514 5.041 4.527 -0.000 0.000 0.355 351 F C -0.695 175.122 175.800 0.028 0.000 1.117 351 F CA -0.731 57.282 58.000 0.022 0.000 1.139 351 F CB 0.587 39.601 39.000 0.024 0.000 1.120 351 F HN 0.203 nan 8.300 nan 0.000 0.493 352 L N 5.815 126.776 121.223 -0.437 0.000 2.295 352 L HA 0.439 4.779 4.340 0.000 0.000 0.285 352 L C -0.273 176.174 176.870 -0.706 0.000 1.035 352 L CA -0.567 54.022 54.840 -0.417 0.000 0.806 352 L CB 1.601 43.537 42.059 -0.206 0.000 1.214 352 L HN 0.557 nan 8.230 nan 0.000 0.426 353 E N 1.054 120.971 120.200 -0.472 0.000 2.158 353 E HA 0.216 4.566 4.350 0.000 0.000 0.271 353 E C 0.250 176.786 176.600 -0.108 0.000 0.911 353 E CA -0.372 55.795 56.400 -0.388 0.000 0.767 353 E CB 1.920 31.478 29.700 -0.237 0.000 1.120 353 E HN 0.595 nan 8.360 nan 0.000 0.405 354 T N 2.915 117.425 114.554 -0.073 0.000 2.665 354 T HA -0.245 4.105 4.350 0.000 0.000 0.268 354 T C 1.479 176.266 174.700 0.146 0.000 1.035 354 T CA 1.729 63.855 62.100 0.043 0.000 1.151 354 T CB -0.039 68.840 68.868 0.018 0.000 0.862 354 T HN 0.613 nan 8.240 nan 0.000 0.438 355 E N 0.559 120.813 120.200 0.089 0.000 2.077 355 E HA -0.123 4.227 4.350 0.000 0.000 0.193 355 E C 2.197 178.892 176.600 0.159 0.000 0.989 355 E CA 0.946 57.412 56.400 0.110 0.000 0.800 355 E CB -0.217 29.523 29.700 0.066 0.000 0.746 355 E HN 0.457 nan 8.360 nan 0.000 0.452 356 L N -0.056 121.240 121.223 0.122 0.000 2.046 356 L HA -0.143 4.197 4.340 0.000 0.000 0.208 356 L C 2.534 179.485 176.870 0.135 0.000 1.077 356 L CA 1.077 55.983 54.840 0.110 0.000 0.747 356 L CB -0.537 41.566 42.059 0.075 0.000 0.896 356 L HN 0.214 nan 8.230 nan 0.000 0.432 357 F N -0.076 119.890 119.950 0.027 0.000 2.126 357 F HA -0.325 4.202 4.527 0.000 0.000 0.299 357 F C 2.583 178.419 175.800 0.059 0.000 1.096 357 F CA 1.629 59.644 58.000 0.025 0.000 1.255 357 F CB -0.419 38.587 39.000 0.011 0.000 0.997 357 F HN -0.005 nan 8.300 nan 0.000 0.479 358 Y N 1.087 121.446 120.300 0.098 0.000 2.224 358 Y HA -0.161 4.389 4.550 -0.000 0.000 0.289 358 Y C 2.072 177.942 175.900 -0.051 0.000 1.146 358 Y CA 1.809 59.920 58.100 0.018 0.000 1.182 358 Y CB -0.407 38.096 38.460 0.072 0.000 0.983 358 Y HN -0.031 nan 8.280 nan 0.000 0.524 359 K N -0.254 120.185 120.400 0.065 0.000 2.555 359 K HA 0.094 4.414 4.320 0.000 0.000 0.193 359 K C 1.207 177.737 176.600 -0.116 0.000 1.032 359 K CA 0.644 56.922 56.287 -0.015 0.000 1.004 359 K CB -0.271 32.272 32.500 0.072 0.000 0.804 359 K HN 0.546 nan 8.250 nan 0.000 0.496 360 G N 1.687 110.367 108.800 -0.199 0.000 2.143 360 G HA2 -0.215 3.745 3.960 0.000 0.000 0.248 360 G HA3 -0.215 3.745 3.960 0.000 0.000 0.248 360 G C 0.073 174.885 174.900 -0.146 0.000 0.991 360 G CA -0.348 44.615 45.100 -0.229 0.000 0.689 360 G HN 0.195 nan 8.290 nan 0.000 0.522 361 I N 1.326 121.845 120.570 -0.086 0.000 2.311 361 I HA 0.305 4.475 4.170 0.000 0.000 0.297 361 I C 0.825 176.925 176.117 -0.029 0.000 1.131 361 I CA 0.518 61.799 61.300 -0.032 0.000 1.289 361 I CB -0.147 37.864 38.000 0.018 0.000 1.446 361 I HN 0.161 nan 8.210 nan 0.000 0.524 362 R N 7.388 127.861 120.500 -0.045 0.000 2.538 362 R HA 0.403 4.743 4.340 0.000 0.000 0.292 362 R C -2.586 173.708 176.300 -0.010 0.000 1.008 362 R CA -1.694 54.395 56.100 -0.019 0.000 0.896 362 R CB 2.476 32.720 30.300 -0.093 0.000 1.187 362 R HN 0.265 nan 8.270 nan 0.000 0.440 363 P HA -0.032 nan 4.420 nan 0.000 0.265 363 P C -0.309 177.027 177.300 0.060 0.000 1.193 363 P CA 0.022 63.150 63.100 0.047 0.000 0.765 363 P CB 0.813 32.529 31.700 0.026 0.000 0.823 364 A N 4.738 127.622 122.820 0.107 0.000 2.916 364 A HA 0.188 4.508 4.320 0.000 0.000 0.254 364 A C 0.716 178.308 177.584 0.014 0.000 1.544 364 A CA -0.359 51.735 52.037 0.095 0.000 1.224 364 A CB -1.400 17.725 19.000 0.209 0.000 1.012 364 A HN 0.487 nan 8.150 nan 0.000 0.636 365 I N 1.103 121.686 120.570 0.022 0.000 2.352 365 I HA 0.051 4.221 4.170 0.000 0.000 0.290 365 I C 0.489 176.633 176.117 0.045 0.000 1.036 365 I CA -0.483 60.829 61.300 0.020 0.000 1.336 365 I CB 0.679 38.702 38.000 0.038 0.000 1.407 365 I HN 0.311 nan 8.210 nan 0.000 0.497 366 N N 6.618 125.356 118.700 0.063 0.000 2.421 366 N HA 0.040 4.780 4.740 0.000 0.000 0.260 366 N C 0.822 176.419 175.510 0.145 0.000 1.173 366 N CA 0.119 53.253 53.050 0.139 0.000 0.960 366 N CB 1.198 39.856 38.487 0.284 0.000 1.273 366 N HN 0.442 nan 8.380 nan 0.000 0.497 367 V N 3.836 123.814 119.914 0.107 0.000 2.332 367 V HA -0.195 3.925 4.120 0.000 0.000 0.248 367 V C 2.363 178.511 176.094 0.089 0.000 1.055 367 V CA 2.309 64.663 62.300 0.090 0.000 1.038 367 V CB -0.921 30.947 31.823 0.076 0.000 0.651 367 V HN 0.751 nan 8.190 nan 0.000 0.450 368 G N -0.441 108.415 108.800 0.093 0.000 2.440 368 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 368 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 368 G C 1.469 176.410 174.900 0.068 0.000 1.154 368 G CA 0.852 45.996 45.100 0.074 0.000 0.767 368 G HN 0.503 nan 8.290 nan 0.000 0.552 369 L N 0.804 122.086 121.223 0.099 0.000 2.529 369 L HA 0.192 4.532 4.340 0.000 0.000 0.223 369 L C 0.778 177.692 176.870 0.072 0.000 1.113 369 L CA -0.229 54.648 54.840 0.062 0.000 0.861 369 L CB 0.123 42.208 42.059 0.042 0.000 1.012 369 L HN 0.022 nan 8.230 nan 0.000 0.461 370 S N 0.151 115.918 115.700 0.113 0.000 2.565 370 S HA 0.497 4.967 4.470 0.000 0.000 0.274 370 S C -0.123 174.513 174.600 0.060 0.000 1.309 370 S CA -0.375 57.886 58.200 0.101 0.000 1.043 370 S CB 2.017 65.283 63.200 0.111 0.000 0.939 370 S HN -0.069 nan 8.310 nan 0.000 0.504 371 V N 1.589 121.532 119.914 0.049 0.000 2.888 371 V HA 0.621 4.741 4.120 0.000 0.000 0.309 371 V C -0.447 175.666 176.094 0.031 0.000 1.114 371 V CA -0.825 61.495 62.300 0.033 0.000 0.940 371 V CB 2.163 34.000 31.823 0.023 0.000 1.021 371 V HN 0.767 nan 8.190 nan 0.000 0.426 372 S N 2.600 118.315 115.700 0.025 0.000 2.669 372 S HA 0.430 4.900 4.470 0.000 0.000 0.315 372 S C 0.834 175.444 174.600 0.016 0.000 1.106 372 S CA -0.685 57.527 58.200 0.020 0.000 1.107 372 S CB 0.865 64.076 63.200 0.018 0.000 0.990 372 S HN 0.705 nan 8.310 nan 0.000 0.471 373 R N 2.422 122.931 120.500 0.015 0.000 2.148 373 R HA -0.012 4.328 4.340 0.000 0.000 0.227 373 R C 1.535 177.841 176.300 0.010 0.000 1.103 373 R CA 1.670 57.778 56.100 0.013 0.000 0.983 373 R CB -0.173 30.136 30.300 0.015 0.000 0.874 373 R HN 0.637 nan 8.270 nan 0.000 0.451 374 V N -4.906 115.014 119.914 0.009 0.000 3.398 374 V HA 0.387 4.507 4.120 0.000 0.000 0.298 374 V C 1.461 177.555 176.094 0.001 0.000 1.496 374 V CA 0.548 62.851 62.300 0.005 0.000 1.044 374 V CB 0.729 32.554 31.823 0.005 0.000 0.880 374 V HN 0.154 nan 8.190 nan 0.000 0.443 375 G N 0.679 109.481 108.800 0.002 0.000 2.484 375 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 375 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 375 G C 1.565 176.463 174.900 -0.003 0.000 1.130 375 G CA 1.188 46.287 45.100 -0.002 0.000 0.784 375 G HN 0.573 nan 8.290 nan 0.000 0.543 376 S N 0.946 116.646 115.700 0.002 0.000 2.383 376 S HA -0.031 4.439 4.470 0.000 0.000 0.229 376 S C 2.587 177.186 174.600 -0.002 0.000 1.030 376 S CA 1.647 59.849 58.200 0.002 0.000 1.002 376 S CB -0.372 62.832 63.200 0.006 0.000 0.829 376 S HN 0.512 nan 8.310 nan 0.000 0.467 377 A N -0.049 122.768 122.820 -0.004 0.000 2.209 377 A HA 0.524 4.844 4.320 0.000 0.000 0.212 377 A C 1.470 179.046 177.584 -0.015 0.000 1.158 377 A CA 1.061 53.094 52.037 -0.007 0.000 0.742 377 A CB -0.488 18.509 19.000 -0.005 0.000 0.790 377 A HN 0.779 nan 8.150 nan 0.000 0.472 378 A N -0.551 122.258 122.820 -0.019 0.000 2.985 378 A HA 0.520 4.840 4.320 0.000 0.000 0.303 378 A C 0.009 177.575 177.584 -0.031 0.000 1.048 378 A CA -0.249 51.769 52.037 -0.032 0.000 1.016 378 A CB -0.108 18.868 19.000 -0.040 0.000 1.118 378 A HN 0.434 nan 8.150 nan 0.000 0.529 379 Q N 1.059 120.847 119.800 -0.020 0.000 2.337 379 Q HA 0.457 4.797 4.340 0.000 0.000 0.270 379 Q C -0.107 175.886 176.000 -0.012 0.000 1.043 379 Q CA -0.516 55.279 55.803 -0.014 0.000 0.794 379 Q CB 1.689 30.425 28.738 -0.003 0.000 1.281 379 Q HN 0.525 nan 8.270 nan 0.000 0.446 380 T N 0.630 115.177 114.554 -0.012 0.000 2.932 380 T HA 0.041 4.391 4.350 0.000 0.000 0.312 380 T C 0.980 175.680 174.700 0.001 0.000 1.071 380 T CA -0.391 61.703 62.100 -0.009 0.000 1.128 380 T CB 0.994 69.858 68.868 -0.007 0.000 0.984 380 T HN 0.734 nan 8.240 nan 0.000 0.549 381 R N 2.290 122.791 120.500 0.001 0.000 2.105 381 R HA -0.038 4.302 4.340 0.000 0.000 0.239 381 R C 2.548 178.857 176.300 0.015 0.000 1.135 381 R CA 2.028 58.133 56.100 0.007 0.000 0.967 381 R CB -1.440 28.863 30.300 0.006 0.000 0.861 381 R HN 0.893 nan 8.270 nan 0.000 0.442 382 A N 0.067 122.895 122.820 0.013 0.000 1.883 382 A HA -0.206 4.114 4.320 0.000 0.000 0.217 382 A C 2.147 179.750 177.584 0.033 0.000 1.186 382 A CA 1.992 54.041 52.037 0.021 0.000 0.624 382 A CB -0.592 18.414 19.000 0.009 0.000 0.822 382 A HN 0.438 nan 8.150 nan 0.000 0.444 383 M N -0.152 119.464 119.600 0.026 0.000 2.200 383 M HA -0.018 4.462 4.480 0.000 0.000 0.265 383 M C 1.750 178.070 176.300 0.032 0.000 1.066 383 M CA 1.623 56.941 55.300 0.031 0.000 1.127 383 M CB -0.480 32.134 32.600 0.023 0.000 1.379 383 M HN 0.348 nan 8.290 nan 0.000 0.420 384 K N -0.416 119.999 120.400 0.025 0.000 2.103 384 K HA -0.195 4.125 4.320 0.000 0.000 0.207 384 K C 2.014 178.633 176.600 0.031 0.000 1.048 384 K CA 1.723 58.025 56.287 0.024 0.000 0.930 384 K CB -0.210 32.300 32.500 0.018 0.000 0.716 384 K HN 0.573 nan 8.250 nan 0.000 0.444 385 Q N 0.098 119.922 119.800 0.040 0.000 2.167 385 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 385 Q C 2.184 178.222 176.000 0.062 0.000 0.970 385 Q CA 1.620 57.454 55.803 0.052 0.000 0.855 385 Q CB 0.068 28.845 28.738 0.065 0.000 0.911 385 Q HN 0.306 nan 8.270 nan 0.000 0.438 386 V N -3.842 116.115 119.914 0.071 0.000 2.795 386 V HA 0.234 4.354 4.120 0.000 0.000 0.243 386 V C 1.998 178.117 176.094 0.042 0.000 1.069 386 V CA 0.938 63.281 62.300 0.071 0.000 1.089 386 V CB -0.555 31.336 31.823 0.113 0.000 0.756 386 V HN 0.173 nan 8.190 nan 0.000 0.471 387 A N 1.504 124.347 122.820 0.039 0.000 1.968 387 A HA 0.173 4.493 4.320 0.000 0.000 0.217 387 A C 2.302 179.900 177.584 0.023 0.000 1.169 387 A CA 1.613 53.667 52.037 0.029 0.000 0.638 387 A CB -1.338 17.679 19.000 0.028 0.000 0.812 387 A HN 0.676 nan 8.150 nan 0.000 0.446 388 G N -0.683 108.130 108.800 0.022 0.000 2.446 388 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 388 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 388 G C 1.764 176.673 174.900 0.015 0.000 1.168 388 G CA 1.973 47.084 45.100 0.018 0.000 0.771 388 G HN 0.574 nan 8.290 nan 0.000 0.551 389 T N -0.683 113.878 114.554 0.011 0.000 2.904 389 T HA -0.029 4.321 4.350 0.000 0.000 0.267 389 T C 2.317 177.017 174.700 -0.000 0.000 1.059 389 T CA 1.598 63.700 62.100 0.002 0.000 1.137 389 T CB -0.192 68.671 68.868 -0.007 0.000 0.879 389 T HN 0.254 nan 8.240 nan 0.000 0.467 390 M N 0.228 119.830 119.600 0.003 0.000 2.132 390 M HA 0.012 4.492 4.480 0.000 0.000 0.263 390 M C 2.418 178.724 176.300 0.010 0.000 1.065 390 M CA 1.767 57.068 55.300 0.000 0.000 1.122 390 M CB -0.245 32.357 32.600 0.004 0.000 1.365 390 M HN 0.223 nan 8.290 nan 0.000 0.411 391 K N 0.198 120.609 120.400 0.018 0.000 2.032 391 K HA -0.225 4.095 4.320 0.000 0.000 0.209 391 K C 1.873 178.490 176.600 0.029 0.000 1.048 391 K CA 1.580 57.883 56.287 0.026 0.000 0.927 391 K CB -0.276 32.239 32.500 0.025 0.000 0.712 391 K HN 0.316 nan 8.250 nan 0.000 0.441 392 L N 1.884 123.121 121.223 0.022 0.000 2.027 392 L HA -0.125 4.215 4.340 0.000 0.000 0.206 392 L C 1.956 178.843 176.870 0.028 0.000 1.074 392 L CA 1.785 56.639 54.840 0.022 0.000 0.745 392 L CB -0.327 41.741 42.059 0.014 0.000 0.898 392 L HN 0.236 nan 8.230 nan 0.000 0.433 393 E N -1.050 119.163 120.200 0.021 0.000 2.152 393 E HA -0.166 4.184 4.350 0.000 0.000 0.192 393 E C 2.268 178.901 176.600 0.054 0.000 0.983 393 E CA 0.840 57.254 56.400 0.023 0.000 0.818 393 E CB -0.071 29.624 29.700 -0.007 0.000 0.758 393 E HN 0.461 nan 8.360 nan 0.000 0.467 394 L N 0.324 121.579 121.223 0.053 0.000 2.131 394 L HA -0.076 4.264 4.340 0.000 0.000 0.206 394 L C 2.524 179.488 176.870 0.157 0.000 1.087 394 L CA 0.653 55.555 54.840 0.103 0.000 0.767 394 L CB -0.312 41.786 42.059 0.065 0.000 0.917 394 L HN 0.126 nan 8.230 nan 0.000 0.441 395 A N -0.151 122.726 122.820 0.095 0.000 1.883 395 A HA -0.286 4.034 4.320 0.000 0.000 0.217 395 A C 2.172 179.800 177.584 0.072 0.000 1.186 395 A CA 1.774 53.856 52.037 0.075 0.000 0.624 395 A CB -0.534 18.495 19.000 0.049 0.000 0.822 395 A HN 0.461 nan 8.150 nan 0.000 0.444 396 Q N -2.258 117.587 119.800 0.074 0.000 2.224 396 Q HA -0.172 4.168 4.340 0.000 0.000 0.203 396 Q C 1.892 177.943 176.000 0.086 0.000 0.970 396 Q CA 1.622 57.463 55.803 0.062 0.000 0.865 396 Q CB -0.319 28.451 28.738 0.053 0.000 0.922 396 Q HN 0.878 nan 8.270 nan 0.000 0.445 397 Y N 0.888 121.189 120.300 0.001 0.000 2.314 397 Y HA -0.083 4.467 4.550 -0.000 0.000 0.293 397 Y C 1.762 177.666 175.900 0.007 0.000 1.129 397 Y CA 1.207 59.308 58.100 0.002 0.000 1.201 397 Y CB 0.162 38.623 38.460 0.001 0.000 0.999 397 Y HN -0.141 nan 8.280 nan 0.000 0.541 398 R N 0.499 120.962 120.500 -0.062 0.000 2.235 398 R HA -0.085 4.255 4.340 0.000 0.000 0.213 398 R C 1.927 178.143 176.300 -0.139 0.000 1.059 398 R CA 1.224 57.240 56.100 -0.139 0.000 0.997 398 R CB -0.084 30.225 30.300 0.015 0.000 0.884 398 R HN 0.616 nan 8.270 nan 0.000 0.462 399 E N 0.470 120.611 120.200 -0.099 0.000 2.140 399 E HA -0.065 4.285 4.350 0.000 0.000 0.191 399 E C 1.583 178.122 176.600 -0.100 0.000 0.973 399 E CA 0.935 57.289 56.400 -0.076 0.000 0.829 399 E CB -0.067 29.611 29.700 -0.036 0.000 0.781 399 E HN 0.267 nan 8.360 nan 0.000 0.466 400 V N -1.374 118.464 119.914 -0.128 0.000 3.563 400 V HA 0.552 4.672 4.120 0.000 0.000 0.299 400 V C 0.617 176.605 176.094 -0.176 0.000 1.290 400 V CA 0.005 62.237 62.300 -0.114 0.000 1.201 400 V CB -0.698 31.090 31.823 -0.059 0.000 1.045 400 V HN 0.287 nan 8.190 nan 0.000 0.425 411 D N 1.919 122.318 120.400 -0.002 0.000 2.411 411 D HA 0.487 5.127 4.640 0.000 0.000 0.251 411 D C 0.873 177.172 176.300 -0.002 0.000 1.201 411 D CA -0.030 53.968 54.000 -0.003 0.000 0.996 411 D CB 1.696 42.494 40.800 -0.003 0.000 1.101 411 D HN 0.437 nan 8.370 nan 0.000 0.504 412 A N -0.032 122.786 122.820 -0.004 0.000 1.975 412 A HA 0.233 4.553 4.320 0.000 0.000 0.215 412 A C 2.124 179.705 177.584 -0.004 0.000 1.170 412 A CA 1.393 53.428 52.037 -0.005 0.000 0.656 412 A CB -0.880 18.116 19.000 -0.007 0.000 0.821 412 A HN 0.659 nan 8.150 nan 0.000 0.449 413 A N 0.015 122.833 122.820 -0.003 0.000 1.972 413 A HA -0.046 4.274 4.320 0.000 0.000 0.219 413 A C 1.904 179.489 177.584 0.002 0.000 1.169 413 A CA 2.060 54.096 52.037 -0.002 0.000 0.635 413 A CB -0.919 18.079 19.000 -0.003 0.000 0.810 413 A HN 0.813 nan 8.150 nan 0.000 0.446 414 T N -3.986 110.570 114.554 0.003 0.000 3.268 414 T HA 0.460 4.810 4.350 0.000 0.000 0.258 414 T C 0.654 175.363 174.700 0.015 0.000 0.966 414 T CA 0.090 62.195 62.100 0.009 0.000 0.952 414 T CB 0.690 69.560 68.868 0.003 0.000 1.132 414 T HN 0.433 nan 8.240 nan 0.000 0.536 415 Q N 0.072 119.879 119.800 0.012 0.000 2.442 415 Q HA 0.180 4.520 4.340 0.000 0.000 0.228 415 Q C 2.201 178.209 176.000 0.014 0.000 0.902 415 Q CA 0.205 56.015 55.803 0.012 0.000 0.933 415 Q CB 0.226 28.966 28.738 0.002 0.000 1.071 415 Q HN 0.426 nan 8.270 nan 0.000 0.562 416 Q N 0.411 120.215 119.800 0.006 0.000 2.167 416 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 416 Q C 1.645 177.656 176.000 0.017 0.000 0.970 416 Q CA 1.299 57.100 55.803 -0.002 0.000 0.855 416 Q CB -0.040 28.689 28.738 -0.015 0.000 0.911 416 Q HN 0.436 nan 8.270 nan 0.000 0.438 417 L N -0.631 120.619 121.223 0.045 0.000 2.017 417 L HA -0.154 4.186 4.340 0.000 0.000 0.208 417 L C 2.156 179.144 176.870 0.197 0.000 1.073 417 L CA 1.018 55.916 54.840 0.097 0.000 0.745 417 L CB -0.452 41.661 42.059 0.090 0.000 0.894 417 L HN 0.248 nan 8.230 nan 0.000 0.432 418 L N -1.131 120.199 121.223 0.179 0.000 2.395 418 L HA -0.082 4.258 4.340 0.000 0.000 0.218 418 L C 2.496 179.443 176.870 0.128 0.000 1.130 418 L CA 0.370 55.364 54.840 0.257 0.000 0.826 418 L CB -0.113 42.039 42.059 0.154 0.000 0.941 418 L HN 0.190 nan 8.230 nan 0.000 0.451 419 S N -0.486 115.242 115.700 0.046 0.000 2.356 419 S HA -0.112 4.358 4.470 0.000 0.000 0.219 419 S C 1.989 176.549 174.600 -0.066 0.000 1.036 419 S CA 0.725 58.917 58.200 -0.013 0.000 0.965 419 S CB -0.073 63.115 63.200 -0.021 0.000 0.864 419 S HN 0.252 nan 8.310 nan 0.000 0.471 420 R N 1.744 122.203 120.500 -0.067 0.000 2.075 420 R HA 0.035 4.375 4.340 0.000 0.000 0.232 420 R C 2.202 178.383 176.300 -0.199 0.000 1.126 420 R CA 1.765 57.801 56.100 -0.106 0.000 0.963 420 R CB -1.264 28.992 30.300 -0.072 0.000 0.858 420 R HN 0.373 nan 8.270 nan 0.000 0.435 421 G N -0.084 108.540 108.800 -0.292 0.000 2.418 421 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 421 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 421 G C 1.405 175.717 174.900 -0.981 0.000 1.158 421 G CA 1.273 45.866 45.100 -0.845 0.000 0.771 421 G HN 0.354 nan 8.290 nan 0.000 0.545 422 V N -1.258 118.283 119.914 -0.622 0.000 2.626 422 V HA 0.066 4.186 4.120 0.000 0.000 0.252 422 V C 2.544 178.516 176.094 -0.204 0.000 1.067 422 V CA 1.862 63.970 62.300 -0.320 0.000 1.081 422 V CB -0.529 31.240 31.823 -0.091 0.000 0.686 422 V HN 0.275 nan 8.190 nan 0.000 0.468 423 R N -0.027 120.360 120.500 -0.189 0.000 2.093 423 R HA 0.272 4.612 4.340 0.000 0.000 0.224 423 R C 2.340 178.566 176.300 -0.123 0.000 1.101 423 R CA 1.394 57.416 56.100 -0.130 0.000 0.979 423 R CB -0.384 29.844 30.300 -0.121 0.000 0.877 423 R HN 0.454 nan 8.270 nan 0.000 0.441 424 L N -0.203 120.924 121.223 -0.160 0.000 2.056 424 L HA -0.131 4.209 4.340 0.000 0.000 0.207 424 L C 2.113 178.919 176.870 -0.107 0.000 1.078 424 L CA 1.296 56.063 54.840 -0.121 0.000 0.749 424 L CB -0.616 41.367 42.059 -0.126 0.000 0.901 424 L HN 0.222 nan 8.230 nan 0.000 0.433 425 T N -0.878 113.578 114.554 -0.163 0.000 2.759 425 T HA -0.172 4.178 4.350 0.000 0.000 0.269 425 T C 1.789 176.455 174.700 -0.056 0.000 1.042 425 T CA 1.146 63.185 62.100 -0.103 0.000 1.140 425 T CB -0.131 68.661 68.868 -0.126 0.000 0.864 425 T HN 0.271 nan 8.240 nan 0.000 0.455 426 E N 0.934 121.096 120.200 -0.063 0.000 2.106 426 E HA 0.021 4.371 4.350 0.000 0.000 0.192 426 E C 2.272 178.863 176.600 -0.015 0.000 0.984 426 E CA 0.618 56.998 56.400 -0.032 0.000 0.806 426 E CB -0.355 29.328 29.700 -0.029 0.000 0.750 426 E HN 0.474 nan 8.360 nan 0.000 0.458 427 L N 0.333 121.544 121.223 -0.019 0.000 2.201 427 L HA -0.112 4.228 4.340 0.000 0.000 0.212 427 L C 2.244 179.116 176.870 0.005 0.000 1.105 427 L CA 0.622 55.464 54.840 0.002 0.000 0.775 427 L CB -0.203 41.856 42.059 0.002 0.000 0.913 427 L HN 0.093 nan 8.230 nan 0.000 0.440 428 L N -0.770 120.450 121.223 -0.004 0.000 2.599 428 L HA -0.003 4.337 4.340 0.000 0.000 0.230 428 L C 0.808 177.679 176.870 0.001 0.000 1.141 428 L CA 0.153 54.995 54.840 0.003 0.000 0.877 428 L CB -0.266 41.796 42.059 0.005 0.000 1.009 428 L HN 0.113 nan 8.230 nan 0.000 0.447 429 K N 1.122 121.519 120.400 -0.004 0.000 2.295 429 K HA 0.279 4.599 4.320 0.000 0.000 0.270 429 K C -0.193 176.400 176.600 -0.011 0.000 1.011 429 K CA 0.214 56.494 56.287 -0.011 0.000 0.953 429 K CB 0.813 33.303 32.500 -0.016 0.000 0.956 429 K HN -0.026 nan 8.250 nan 0.000 0.477 430 Q N 0.383 120.170 119.800 -0.021 0.000 2.403 430 Q HA 0.287 4.627 4.340 0.000 0.000 0.267 430 Q C -0.869 175.102 176.000 -0.048 0.000 0.991 430 Q CA -0.566 55.221 55.803 -0.027 0.000 0.906 430 Q CB 1.764 30.489 28.738 -0.022 0.000 1.422 430 Q HN 0.820 nan 8.270 nan 0.000 0.400 431 G N 1.461 110.229 108.800 -0.054 0.000 2.621 431 G HA2 0.313 4.273 3.960 0.000 0.000 0.271 431 G HA3 0.313 4.273 3.960 0.000 0.000 0.271 431 G C -0.615 174.197 174.900 -0.147 0.000 1.236 431 G CA -0.236 44.813 45.100 -0.085 0.000 0.958 431 G HN 0.576 nan 8.290 nan 0.000 0.512 432 Q N -1.467 118.170 119.800 -0.273 0.000 2.221 432 Q HA 0.404 4.744 4.340 0.000 0.000 0.242 432 Q C -0.749 174.973 176.000 -0.463 0.000 0.940 432 Q CA -0.618 54.840 55.803 -0.574 0.000 0.896 432 Q CB 1.288 29.317 28.738 -1.181 0.000 1.226 432 Q HN 0.672 nan 8.270 nan 0.000 0.463 433 Y N -1.417 118.878 120.300 -0.008 0.000 4.729 433 Y HA -0.244 4.306 4.550 0.000 0.000 0.239 433 Y C 0.122 176.011 175.900 -0.019 0.000 1.043 433 Y CA 0.183 58.273 58.100 -0.016 0.000 2.045 433 Y CB -1.737 36.711 38.460 -0.020 0.000 1.599 433 Y HN 0.442 nan 8.280 nan 0.000 0.655 434 S N 0.770 116.503 115.700 0.056 0.000 2.327 434 S HA 0.238 4.708 4.470 0.000 0.000 0.203 434 S C -2.202 172.397 174.600 -0.002 0.000 1.326 434 S CA -0.877 57.338 58.200 0.026 0.000 1.248 434 S CB 0.756 63.965 63.200 0.015 0.000 1.199 434 S HN 0.094 nan 8.310 nan 0.000 0.422 435 P HA 0.130 nan 4.420 nan 0.000 0.267 435 P C -0.588 176.698 177.300 -0.024 0.000 1.200 435 P CA -0.002 63.094 63.100 -0.008 0.000 0.772 435 P CB 0.476 32.178 31.700 0.004 0.000 0.855 436 M N 1.558 121.146 119.600 -0.021 0.000 2.336 436 M HA 0.463 4.943 4.480 0.000 0.000 0.342 436 M C 0.545 176.825 176.300 -0.033 0.000 1.128 436 M CA -0.830 54.451 55.300 -0.031 0.000 1.016 436 M CB 1.863 34.451 32.600 -0.020 0.000 1.665 436 M HN 0.346 nan 8.290 nan 0.000 0.445 437 A N 1.935 124.720 122.820 -0.058 0.000 2.520 437 A HA 0.066 4.386 4.320 0.000 0.000 0.235 437 A C 1.018 178.594 177.584 -0.013 0.000 1.065 437 A CA -0.221 51.784 52.037 -0.054 0.000 0.764 437 A CB 0.004 18.954 19.000 -0.082 0.000 1.002 437 A HN 0.961 nan 8.150 nan 0.000 0.502 438 I N 1.013 121.596 120.570 0.021 0.000 2.208 438 I HA -0.229 3.941 4.170 0.000 0.000 0.245 438 I C 2.548 178.670 176.117 0.008 0.000 1.097 438 I CA 2.394 63.710 61.300 0.027 0.000 1.363 438 I CB -0.336 37.691 38.000 0.046 0.000 1.051 438 I HN 0.864 nan 8.210 nan 0.000 0.413 439 E N 0.426 120.622 120.200 -0.007 0.000 2.153 439 E HA -0.287 4.063 4.350 0.000 0.000 0.194 439 E C 1.808 178.388 176.600 -0.034 0.000 0.988 439 E CA 1.741 58.126 56.400 -0.025 0.000 0.811 439 E CB -0.751 28.924 29.700 -0.040 0.000 0.746 439 E HN 0.656 nan 8.360 nan 0.000 0.466 440 E N 0.911 121.086 120.200 -0.041 0.000 2.072 440 E HA -0.149 4.201 4.350 0.000 0.000 0.191 440 E C 2.365 178.964 176.600 -0.002 0.000 0.985 440 E CA 1.175 57.547 56.400 -0.048 0.000 0.801 440 E CB -0.072 29.589 29.700 -0.065 0.000 0.750 440 E HN 0.376 nan 8.360 nan 0.000 0.452 441 Q N 0.291 120.096 119.800 0.008 0.000 2.096 441 Q HA -0.161 4.179 4.340 0.000 0.000 0.204 441 Q C 2.391 178.423 176.000 0.053 0.000 0.982 441 Q CA 1.388 57.209 55.803 0.030 0.000 0.850 441 Q CB -0.078 28.675 28.738 0.025 0.000 0.901 441 Q HN 0.159 nan 8.270 nan 0.000 0.422 442 V N 0.989 120.930 119.914 0.045 0.000 2.332 442 V HA -0.314 3.806 4.120 0.000 0.000 0.248 442 V C 2.277 178.434 176.094 0.105 0.000 1.055 442 V CA 1.890 64.229 62.300 0.065 0.000 1.038 442 V CB -0.996 30.848 31.823 0.034 0.000 0.651 442 V HN 0.422 nan 8.190 nan 0.000 0.450 443 A N 0.412 123.280 122.820 0.080 0.000 1.902 443 A HA -0.163 4.157 4.320 0.000 0.000 0.217 443 A C 2.383 180.148 177.584 0.302 0.000 1.181 443 A CA 2.341 54.468 52.037 0.150 0.000 0.623 443 A CB -0.731 18.318 19.000 0.081 0.000 0.818 443 A HN 0.665 nan 8.150 nan 0.000 0.443 444 V N -2.346 117.709 119.914 0.234 0.000 2.591 444 V HA -0.073 4.047 4.120 0.000 0.000 0.249 444 V C 2.148 178.323 176.094 0.134 0.000 1.053 444 V CA 1.696 64.120 62.300 0.206 0.000 1.068 444 V CB -0.749 31.169 31.823 0.159 0.000 0.689 444 V HN 0.451 nan 8.190 nan 0.000 0.462 445 I N -0.743 119.901 120.570 0.125 0.000 2.353 445 I HA -0.106 4.064 4.170 0.000 0.000 0.248 445 I C 2.520 178.704 176.117 0.113 0.000 1.119 445 I CA 1.882 63.237 61.300 0.092 0.000 1.417 445 I CB -0.440 37.604 38.000 0.074 0.000 1.078 445 I HN 0.375 nan 8.210 nan 0.000 0.421 446 Y N 2.003 122.322 120.300 0.032 0.000 2.114 446 Y HA -0.373 4.177 4.550 -0.000 0.000 0.282 446 Y C 2.562 178.483 175.900 0.034 0.000 1.165 446 Y CA 1.677 59.797 58.100 0.033 0.000 1.148 446 Y CB -0.310 38.168 38.460 0.030 0.000 0.972 446 Y HN 0.141 nan 8.280 nan 0.000 0.504 447 A N 0.184 123.087 122.820 0.138 0.000 1.873 447 A HA -0.205 4.115 4.320 0.000 0.000 0.218 447 A C 2.482 180.084 177.584 0.030 0.000 1.193 447 A CA 2.146 54.191 52.037 0.015 0.000 0.629 447 A CB -1.783 17.159 19.000 -0.096 0.000 0.826 447 A HN 0.622 nan 8.150 nan 0.000 0.447 448 G N -1.132 107.663 108.800 -0.008 0.000 2.404 448 G HA2 -0.052 3.908 3.960 0.000 0.000 0.215 448 G HA3 -0.052 3.908 3.960 0.000 0.000 0.215 448 G C 1.545 176.405 174.900 -0.067 0.000 1.174 448 G CA 1.093 46.165 45.100 -0.046 0.000 0.780 448 G HN 0.321 nan 8.290 nan 0.000 0.537 449 V N 0.825 120.698 119.914 -0.068 0.000 2.358 449 V HA -0.064 4.056 4.120 0.000 0.000 0.246 449 V C 2.710 178.721 176.094 -0.139 0.000 1.047 449 V CA 1.431 63.677 62.300 -0.090 0.000 1.035 449 V CB -0.278 31.507 31.823 -0.063 0.000 0.658 449 V HN 0.229 nan 8.190 nan 0.000 0.452 450 R N 0.145 120.522 120.500 -0.205 0.000 2.313 450 R HA 0.205 4.545 4.340 0.000 0.000 0.199 450 R C 1.086 177.234 176.300 -0.252 0.000 0.958 450 R CA 0.703 56.664 56.100 -0.232 0.000 1.047 450 R CB -0.491 29.573 30.300 -0.393 0.000 0.955 450 R HN 0.552 nan 8.270 nan 0.000 0.481 451 G N 1.173 109.852 108.800 -0.201 0.000 2.738 451 G HA2 -0.271 3.689 3.960 0.000 0.000 0.262 451 G HA3 -0.271 3.689 3.960 0.000 0.000 0.262 451 G C -0.303 174.291 174.900 -0.511 0.000 1.032 451 G CA -0.326 44.599 45.100 -0.291 0.000 1.278 451 G HN 0.441 nan 8.290 nan 0.000 0.537 452 Y N -0.125 120.061 120.300 -0.191 0.000 2.666 452 Y HA 0.321 4.871 4.550 0.000 0.000 0.260 452 Y C 2.074 177.773 175.900 -0.336 0.000 1.089 452 Y CA -0.158 57.815 58.100 -0.212 0.000 1.246 452 Y CB 0.540 38.892 38.460 -0.180 0.000 1.353 452 Y HN 0.398 nan 8.280 nan 0.000 0.558 453 L N -0.465 120.639 121.223 -0.198 0.000 2.664 453 L HA 0.112 4.452 4.340 0.000 0.000 0.233 453 L C 1.132 177.889 176.870 -0.189 0.000 1.113 453 L CA 0.201 54.872 54.840 -0.282 0.000 0.896 453 L CB 0.203 42.118 42.059 -0.239 0.000 1.163 453 L HN 0.094 nan 8.230 nan 0.000 0.497 454 D N 1.284 121.589 120.400 -0.159 0.000 2.144 454 D HA -0.160 4.480 4.640 0.000 0.000 0.199 454 D C 1.695 177.934 176.300 -0.102 0.000 0.984 454 D CA 1.290 55.215 54.000 -0.124 0.000 0.834 454 D CB 0.136 40.859 40.800 -0.127 0.000 0.955 454 D HN 0.277 nan 8.370 nan 0.000 0.465 455 K N -0.079 120.258 120.400 -0.106 0.000 2.487 455 K HA 0.114 4.434 4.320 0.000 0.000 0.192 455 K C 0.520 177.083 176.600 -0.060 0.000 1.027 455 K CA 0.060 56.302 56.287 -0.074 0.000 1.054 455 K CB 0.364 32.826 32.500 -0.065 0.000 0.824 455 K HN 0.104 nan 8.250 nan 0.000 0.510 456 L N 2.062 123.234 121.223 -0.086 0.000 2.334 456 L HA 0.186 4.526 4.340 0.000 0.000 0.275 456 L C 0.313 177.158 176.870 -0.041 0.000 1.036 456 L CA -0.944 53.861 54.840 -0.058 0.000 0.807 456 L CB 1.176 43.164 42.059 -0.118 0.000 1.231 456 L HN 0.154 nan 8.230 nan 0.000 0.438 457 E N 2.746 122.943 120.200 -0.005 0.000 2.360 457 E HA 0.118 4.468 4.350 0.000 0.000 0.269 457 E C -2.026 174.574 176.600 -0.000 0.000 1.022 457 E CA -1.730 54.669 56.400 -0.002 0.000 0.887 457 E CB 0.706 30.412 29.700 0.011 0.000 0.990 457 E HN 0.356 nan 8.360 nan 0.000 0.426 458 P HA -0.243 nan 4.420 nan 0.000 0.218 458 P C 1.061 178.364 177.300 0.004 0.000 1.146 458 P CA 1.431 64.522 63.100 -0.014 0.000 0.820 458 P CB 0.005 31.697 31.700 -0.014 0.000 0.778 459 S N -1.476 114.234 115.700 0.017 0.000 2.603 459 S HA 0.105 4.575 4.470 0.000 0.000 0.220 459 S C 1.398 176.028 174.600 0.051 0.000 0.967 459 S CA 0.207 58.422 58.200 0.026 0.000 0.920 459 S CB -0.419 62.794 63.200 0.022 0.000 0.773 459 S HN 0.258 nan 8.310 nan 0.000 0.529 460 K N 0.196 120.638 120.400 0.071 0.000 2.438 460 K HA 0.338 4.658 4.320 0.000 0.000 0.206 460 K C 0.792 177.483 176.600 0.152 0.000 1.081 460 K CA -0.264 56.103 56.287 0.133 0.000 1.053 460 K CB 0.218 32.827 32.500 0.182 0.000 0.908 460 K HN 0.214 nan 8.250 nan 0.000 0.556 461 I N 1.779 122.398 120.570 0.082 0.000 2.151 461 I HA -0.270 3.900 4.170 0.000 0.000 0.243 461 I C 1.995 178.184 176.117 0.121 0.000 1.080 461 I CA 1.827 63.168 61.300 0.068 0.000 1.339 461 I CB -1.438 36.566 38.000 0.007 0.000 1.039 461 I HN 0.120 nan 8.210 nan 0.000 0.409 462 T N 0.713 115.321 114.554 0.090 0.000 2.684 462 T HA -0.236 4.114 4.350 0.000 0.000 0.267 462 T C 2.009 176.771 174.700 0.104 0.000 1.036 462 T CA 1.626 63.775 62.100 0.080 0.000 1.148 462 T CB -0.194 68.705 68.868 0.052 0.000 0.863 462 T HN 0.305 nan 8.240 nan 0.000 0.436 463 K N -0.106 120.380 120.400 0.144 0.000 2.097 463 K HA -0.101 4.219 4.320 0.000 0.000 0.206 463 K C 2.085 178.780 176.600 0.158 0.000 1.049 463 K CA 1.125 57.526 56.287 0.191 0.000 0.933 463 K CB -0.289 32.380 32.500 0.282 0.000 0.717 463 K HN 0.346 nan 8.250 nan 0.000 0.442 464 F N 2.083 121.973 119.950 -0.099 0.000 2.102 464 F HA -0.179 4.348 4.527 0.000 0.000 0.298 464 F C 2.285 177.988 175.800 -0.161 0.000 1.105 464 F CA 1.827 59.561 58.000 -0.444 0.000 1.239 464 F CB -0.203 38.529 39.000 -0.446 0.000 0.991 464 F HN 0.135 nan 8.300 nan 0.000 0.474 465 E N 0.299 120.515 120.200 0.028 0.000 2.038 465 E HA -0.285 4.065 4.350 0.000 0.000 0.195 465 E C 1.841 178.404 176.600 -0.061 0.000 1.000 465 E CA 1.959 58.366 56.400 0.011 0.000 0.803 465 E CB -0.359 29.393 29.700 0.086 0.000 0.750 465 E HN 0.631 nan 8.360 nan 0.000 0.448 466 N N 0.276 118.957 118.700 -0.032 0.000 2.120 466 N HA -0.154 4.586 4.740 0.000 0.000 0.188 466 N C 1.840 177.315 175.510 -0.058 0.000 1.024 466 N CA 1.181 54.213 53.050 -0.031 0.000 0.852 466 N CB -0.192 38.304 38.487 0.014 0.000 1.003 466 N HN 0.172 nan 8.380 nan 0.000 0.424 467 A N 0.642 123.438 122.820 -0.040 0.000 1.930 467 A HA -0.097 4.223 4.320 0.000 0.000 0.217 467 A C 1.949 179.411 177.584 -0.204 0.000 1.175 467 A CA 0.832 52.901 52.037 0.052 0.000 0.627 467 A CB -0.795 18.388 19.000 0.305 0.000 0.815 467 A HN 0.382 nan 8.150 nan 0.000 0.443 468 F N -0.041 119.412 119.950 -0.829 0.000 2.186 468 F HA -0.073 4.454 4.527 0.000 0.000 0.299 468 F C 1.740 177.163 175.800 -0.629 0.000 1.090 468 F CA 1.418 58.601 58.000 -1.361 0.000 1.307 468 F CB -0.236 37.899 39.000 -1.442 0.000 1.019 468 F HN 0.179 nan 8.300 nan 0.000 0.489 469 L N 0.412 121.357 121.223 -0.464 0.000 2.023 469 L HA -0.131 4.209 4.340 0.000 0.000 0.205 469 L C 2.811 179.493 176.870 -0.313 0.000 1.073 469 L CA 2.161 56.769 54.840 -0.387 0.000 0.745 469 L CB -1.162 40.791 42.059 -0.178 0.000 0.900 469 L HN 0.311 nan 8.230 nan 0.000 0.435 470 S N -1.957 113.624 115.700 -0.198 0.000 2.419 470 S HA -0.292 4.178 4.470 0.000 0.000 0.235 470 S C 2.127 176.653 174.600 -0.124 0.000 1.019 470 S CA 1.329 59.456 58.200 -0.123 0.000 0.982 470 S CB -1.028 62.145 63.200 -0.044 0.000 0.789 470 S HN 0.677 nan 8.310 nan 0.000 0.490 471 H N 1.903 120.808 119.070 -0.276 0.000 2.307 471 H HA -0.050 4.506 4.556 0.000 0.000 0.303 471 H C 2.303 177.471 175.328 -0.267 0.000 1.073 471 H CA 2.155 58.059 56.048 -0.240 0.000 1.338 471 H CB -0.188 29.390 29.762 -0.306 0.000 1.389 471 H HN 0.441 nan 8.280 nan 0.000 0.503 472 V N -0.569 119.013 119.914 -0.553 0.000 2.548 472 V HA -0.125 3.995 4.120 0.000 0.000 0.249 472 V C 2.600 178.495 176.094 -0.331 0.000 1.055 472 V CA 1.452 63.455 62.300 -0.495 0.000 1.065 472 V CB -0.825 30.619 31.823 -0.631 0.000 0.681 472 V HN 0.291 nan 8.190 nan 0.000 0.462 473 I N 0.849 121.244 120.570 -0.292 0.000 2.315 473 I HA -0.150 4.020 4.170 0.000 0.000 0.248 473 I C 2.808 178.811 176.117 -0.191 0.000 1.117 473 I CA 1.753 62.930 61.300 -0.206 0.000 1.404 473 I CB -0.325 37.575 38.000 -0.167 0.000 1.071 473 I HN 0.431 nan 8.210 nan 0.000 0.419 474 S N 0.049 115.622 115.700 -0.213 0.000 2.325 474 S HA -0.117 4.353 4.470 0.000 0.000 0.214 474 S C 2.020 176.465 174.600 -0.259 0.000 1.031 474 S CA 0.927 59.012 58.200 -0.191 0.000 0.972 474 S CB -0.021 63.093 63.200 -0.143 0.000 0.908 474 S HN 0.321 nan 8.310 nan 0.000 0.453 475 Q N -0.157 119.400 119.800 -0.405 0.000 2.137 475 Q HA 0.023 4.363 4.340 0.000 0.000 0.198 475 Q C 0.143 175.717 176.000 -0.710 0.000 0.960 475 Q CA 1.039 56.488 55.803 -0.589 0.000 0.847 475 Q CB -0.125 28.119 28.738 -0.822 0.000 0.915 475 Q HN 0.717 nan 8.270 nan 0.000 0.448 476 H N 0.228 119.110 119.070 -0.314 0.000 2.317 476 H HA 0.205 4.761 4.556 -0.000 0.000 0.231 476 H C 0.715 175.924 175.328 -0.197 0.000 1.442 476 H CA -0.216 55.693 56.048 -0.232 0.000 1.336 476 H CB 0.665 30.280 29.762 -0.244 0.000 1.533 476 H HN 0.006 nan 8.280 nan 0.000 0.522 477 Q N 0.869 120.606 119.800 -0.104 0.000 2.230 477 Q HA -0.019 4.321 4.340 0.000 0.000 0.202 477 Q C 2.174 178.136 176.000 -0.064 0.000 0.963 477 Q CA 0.982 56.729 55.803 -0.092 0.000 0.866 477 Q CB 0.162 28.842 28.738 -0.097 0.000 0.931 477 Q HN 0.689 nan 8.270 nan 0.000 0.452 478 A N 0.745 123.538 122.820 -0.046 0.000 1.933 478 A HA -0.122 4.198 4.320 0.000 0.000 0.218 478 A C 2.087 179.652 177.584 -0.032 0.000 1.175 478 A CA 0.841 52.859 52.037 -0.032 0.000 0.628 478 A CB -0.561 18.427 19.000 -0.020 0.000 0.814 478 A HN 0.337 nan 8.150 nan 0.000 0.444 479 L N -0.697 120.508 121.223 -0.030 0.000 2.095 479 L HA -0.041 4.299 4.340 0.000 0.000 0.204 479 L C 2.354 179.181 176.870 -0.072 0.000 1.080 479 L CA 0.950 55.756 54.840 -0.056 0.000 0.759 479 L CB -0.209 41.800 42.059 -0.085 0.000 0.914 479 L HN 0.400 nan 8.230 nan 0.000 0.439 480 L N -0.958 120.218 121.223 -0.078 0.000 2.141 480 L HA -0.097 4.243 4.340 0.000 0.000 0.209 480 L C 2.543 179.377 176.870 -0.061 0.000 1.094 480 L CA 1.057 55.847 54.840 -0.082 0.000 0.763 480 L CB -0.972 41.026 42.059 -0.101 0.000 0.908 480 L HN 0.311 nan 8.230 nan 0.000 0.437 481 G N 0.044 108.812 108.800 -0.054 0.000 2.402 481 G HA2 -0.277 3.683 3.960 0.000 0.000 0.216 481 G HA3 -0.277 3.683 3.960 0.000 0.000 0.216 481 G C 1.665 176.545 174.900 -0.033 0.000 1.162 481 G CA 0.634 45.709 45.100 -0.041 0.000 0.777 481 G HN 0.168 nan 8.290 nan 0.000 0.539 482 K N 0.429 120.807 120.400 -0.036 0.000 2.097 482 K HA 0.098 4.418 4.320 0.000 0.000 0.206 482 K C 2.347 178.929 176.600 -0.031 0.000 1.049 482 K CA 0.831 57.099 56.287 -0.031 0.000 0.933 482 K CB -0.385 32.096 32.500 -0.033 0.000 0.717 482 K HN 0.382 nan 8.250 nan 0.000 0.442 483 I N -0.028 120.518 120.570 -0.040 0.000 2.252 483 I HA -0.227 3.943 4.170 0.000 0.000 0.245 483 I C 2.586 178.689 176.117 -0.022 0.000 1.102 483 I CA 1.016 62.294 61.300 -0.036 0.000 1.385 483 I CB -0.231 37.739 38.000 -0.050 0.000 1.064 483 I HN 0.187 nan 8.210 nan 0.000 0.414 484 R N 0.588 121.076 120.500 -0.022 0.000 2.070 484 R HA -0.160 4.180 4.340 0.000 0.000 0.233 484 R C 2.296 178.593 176.300 -0.004 0.000 1.137 484 R CA 2.233 58.328 56.100 -0.007 0.000 0.945 484 R CB -0.308 29.987 30.300 -0.008 0.000 0.845 484 R HN 0.249 nan 8.270 nan 0.000 0.430 485 T N 0.929 115.477 114.554 -0.010 0.000 2.674 485 T HA -0.105 4.245 4.350 0.000 0.000 0.265 485 T C 1.090 175.784 174.700 -0.010 0.000 1.039 485 T CA 1.665 63.759 62.100 -0.009 0.000 1.150 485 T CB -0.330 68.531 68.868 -0.011 0.000 0.864 485 T HN 0.333 nan 8.240 nan 0.000 0.427 486 D N 0.455 120.848 120.400 -0.012 0.000 2.312 486 D HA 0.147 4.787 4.640 0.000 0.000 0.211 486 D C 1.690 177.984 176.300 -0.010 0.000 0.964 486 D CA 0.879 54.873 54.000 -0.011 0.000 0.877 486 D CB -0.656 40.137 40.800 -0.011 0.000 0.924 486 D HN 0.503 nan 8.370 nan 0.000 0.515 487 G N 0.937 109.732 108.800 -0.010 0.000 2.203 487 G HA2 -0.336 3.624 3.960 0.000 0.000 0.263 487 G HA3 -0.336 3.624 3.960 0.000 0.000 0.263 487 G C 0.342 175.240 174.900 -0.004 0.000 1.012 487 G CA 0.926 46.021 45.100 -0.008 0.000 0.749 487 G HN 0.516 nan 8.290 nan 0.000 0.512 488 K N -0.682 119.715 120.400 -0.005 0.000 2.568 488 K HA 0.555 4.875 4.320 0.000 0.000 0.273 488 K C -0.912 175.686 176.600 -0.003 0.000 0.951 488 K CA -1.223 55.064 56.287 0.000 0.000 0.854 488 K CB 1.098 33.599 32.500 0.001 0.000 1.424 488 K HN 0.102 nan 8.250 nan 0.000 0.427 489 I N 3.849 124.423 120.570 0.005 0.000 2.282 489 I HA 0.105 4.275 4.170 0.000 0.000 0.290 489 I C 0.519 176.641 176.117 0.009 0.000 1.090 489 I CA -0.531 60.769 61.300 -0.000 0.000 1.231 489 I CB 1.075 39.084 38.000 0.015 0.000 1.434 489 I HN 0.599 nan 8.210 nan 0.000 0.487 490 S N 3.756 119.455 115.700 -0.001 0.000 2.608 490 S HA 0.170 4.640 4.470 0.000 0.000 0.261 490 S C 0.997 175.603 174.600 0.011 0.000 1.314 490 S CA -0.549 57.654 58.200 0.005 0.000 0.992 490 S CB 1.149 64.348 63.200 -0.001 0.000 0.935 490 S HN 0.616 nan 8.310 nan 0.000 0.564 491 E N 0.303 120.513 120.200 0.017 0.000 2.153 491 E HA -0.206 4.144 4.350 0.000 0.000 0.194 491 E C 1.833 178.443 176.600 0.017 0.000 0.988 491 E CA 1.375 57.789 56.400 0.024 0.000 0.811 491 E CB -0.149 29.565 29.700 0.024 0.000 0.746 491 E HN 0.837 nan 8.360 nan 0.000 0.466 492 E N 0.881 121.085 120.200 0.006 0.000 2.031 492 E HA -0.139 4.211 4.350 0.000 0.000 0.193 492 E C 2.009 178.600 176.600 -0.015 0.000 0.994 492 E CA 1.669 58.069 56.400 -0.001 0.000 0.800 492 E CB -0.125 29.573 29.700 -0.004 0.000 0.752 492 E HN -0.047 nan 8.360 nan 0.000 0.447 493 S N 0.260 115.944 115.700 -0.026 0.000 2.406 493 S HA -0.112 4.358 4.470 0.000 0.000 0.228 493 S C 1.452 176.002 174.600 -0.084 0.000 1.020 493 S CA 0.998 59.163 58.200 -0.058 0.000 0.965 493 S CB -0.362 62.801 63.200 -0.061 0.000 0.798 493 S HN 0.374 nan 8.310 nan 0.000 0.488 494 D N 1.809 122.187 120.400 -0.037 0.000 2.097 494 D HA -0.009 4.631 4.640 0.000 0.000 0.197 494 D C 2.057 178.372 176.300 0.025 0.000 0.984 494 D CA 1.291 55.291 54.000 -0.000 0.000 0.826 494 D CB -0.316 40.535 40.800 0.086 0.000 0.973 494 D HN 0.297 nan 8.370 nan 0.000 0.460 495 A N 0.467 123.304 122.820 0.028 0.000 1.877 495 A HA -0.191 4.129 4.320 0.000 0.000 0.216 495 A C 2.190 179.778 177.584 0.007 0.000 1.186 495 A CA 2.180 54.238 52.037 0.036 0.000 0.620 495 A CB -0.586 18.432 19.000 0.030 0.000 0.822 495 A HN 0.179 nan 8.150 nan 0.000 0.443 496 K N -0.782 119.600 120.400 -0.030 0.000 2.097 496 K HA -0.062 4.258 4.320 0.000 0.000 0.206 496 K C 1.691 178.223 176.600 -0.114 0.000 1.049 496 K CA 1.162 57.413 56.287 -0.061 0.000 0.933 496 K CB -0.441 32.019 32.500 -0.067 0.000 0.717 496 K HN 0.330 nan 8.250 nan 0.000 0.442 497 L N 1.067 122.195 121.223 -0.160 0.000 2.072 497 L HA -0.028 4.312 4.340 0.000 0.000 0.205 497 L C 2.088 178.884 176.870 -0.124 0.000 1.079 497 L CA 1.745 56.432 54.840 -0.255 0.000 0.752 497 L CB -0.530 41.183 42.059 -0.577 0.000 0.906 497 L HN 0.150 nan 8.230 nan 0.000 0.436 498 K N -0.789 119.620 120.400 0.015 0.000 2.103 498 K HA -0.195 4.125 4.320 0.000 0.000 0.207 498 K C 1.879 178.527 176.600 0.079 0.000 1.048 498 K CA 1.416 57.792 56.287 0.148 0.000 0.930 498 K CB 0.047 32.675 32.500 0.214 0.000 0.716 498 K HN 0.338 nan 8.250 nan 0.000 0.444 499 E N 0.542 120.768 120.200 0.042 0.000 2.072 499 E HA -0.158 4.192 4.350 0.000 0.000 0.191 499 E C 2.107 178.736 176.600 0.049 0.000 0.985 499 E CA 1.068 57.497 56.400 0.048 0.000 0.801 499 E CB -0.106 29.611 29.700 0.029 0.000 0.750 499 E HN 0.420 nan 8.360 nan 0.000 0.452 500 I N 0.687 121.257 120.570 0.000 0.000 2.202 500 I HA -0.216 3.954 4.170 0.000 0.000 0.242 500 I C 2.421 178.652 176.117 0.190 0.000 1.091 500 I CA 0.693 62.026 61.300 0.054 0.000 1.368 500 I CB -0.251 37.678 38.000 -0.118 0.000 1.058 500 I HN -0.090 nan 8.210 nan 0.000 0.410 501 V N 0.278 120.241 119.914 0.081 0.000 2.407 501 V HA -0.248 3.872 4.120 0.000 0.000 0.248 501 V C 2.449 178.537 176.094 -0.010 0.000 1.055 501 V CA 2.288 64.535 62.300 -0.087 0.000 1.049 501 V CB -1.230 30.233 31.823 -0.599 0.000 0.662 501 V HN 0.460 nan 8.190 nan 0.000 0.455 502 T N 0.518 115.097 114.554 0.040 0.000 2.643 502 T HA -0.196 4.154 4.350 0.000 0.000 0.264 502 T C 1.750 176.564 174.700 0.189 0.000 1.045 502 T CA 2.125 64.346 62.100 0.202 0.000 1.155 502 T CB -0.529 68.467 68.868 0.214 0.000 0.863 502 T HN 0.605 nan 8.240 nan 0.000 0.420 503 N N 0.164 118.966 118.700 0.169 0.000 2.166 503 N HA -0.059 4.681 4.740 0.000 0.000 0.186 503 N C 1.617 177.229 175.510 0.171 0.000 1.019 503 N CA 0.897 54.041 53.050 0.156 0.000 0.856 503 N CB -0.228 38.351 38.487 0.153 0.000 0.993 503 N HN 0.248 nan 8.380 nan 0.000 0.426 504 F N 1.256 121.255 119.950 0.082 0.000 2.206 504 F HA 0.002 4.530 4.527 0.000 0.000 0.298 504 F C 1.976 177.901 175.800 0.209 0.000 1.090 504 F CA 0.499 58.539 58.000 0.067 0.000 1.323 504 F CB -0.116 38.915 39.000 0.051 0.000 1.028 504 F HN -0.055 nan 8.300 nan 0.000 0.492 505 L N 0.606 122.045 121.223 0.361 0.000 2.046 505 L HA -0.071 4.269 4.340 0.000 0.000 0.208 505 L C 2.410 179.385 176.870 0.175 0.000 1.077 505 L CA 2.075 57.110 54.840 0.325 0.000 0.747 505 L CB -1.258 40.968 42.059 0.278 0.000 0.896 505 L HN 0.141 nan 8.230 nan 0.000 0.432 506 A N -0.993 121.896 122.820 0.115 0.000 1.930 506 A HA 0.012 4.332 4.320 0.000 0.000 0.217 506 A C 2.292 179.877 177.584 0.002 0.000 1.175 506 A CA 1.308 53.380 52.037 0.058 0.000 0.627 506 A CB -1.312 17.723 19.000 0.057 0.000 0.815 506 A HN 0.503 nan 8.150 nan 0.000 0.443 507 G N -1.361 107.407 108.800 -0.053 0.000 2.408 507 G HA2 0.059 4.019 3.960 0.000 0.000 0.215 507 G HA3 0.059 4.019 3.960 0.000 0.000 0.215 507 G C 0.487 175.274 174.900 -0.188 0.000 1.156 507 G CA 0.221 45.237 45.100 -0.139 0.000 0.793 507 G HN 0.380 nan 8.290 nan 0.000 0.535 508 F N 1.335 121.039 119.950 -0.409 0.000 2.506 508 F HA 0.353 4.880 4.527 -0.000 0.000 0.371 508 F C 1.252 176.994 175.800 -0.097 0.000 1.078 508 F CA -0.247 57.574 58.000 -0.299 0.000 1.195 508 F CB 1.235 40.105 39.000 -0.216 0.000 1.099 508 F HN 0.191 nan 8.300 nan 0.000 0.548 509 E N 3.721 123.588 120.200 -0.556 0.000 2.354 509 E HA 0.399 4.749 4.350 0.000 0.000 0.203 509 E C -0.324 175.996 176.600 -0.466 0.000 0.841 509 E CA 0.333 56.516 56.400 -0.361 0.000 1.046 509 E CB 0.676 30.235 29.700 -0.235 0.000 1.040 509 E HN 0.671 nan 8.360 nan 0.000 0.504 510 A N 0.000 122.381 122.820 -0.732 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.730 52.037 -0.511 0.000 0.836 510 A CB 0.000 18.852 19.000 -0.246 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486