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 2vdd_1_B DATA FIRST_RESID 23 DATA SEQUENCE ENLMQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDMSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNMG QNKVGLSFSL PIYQGGMVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAMEA GFSVGTETIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPEL 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 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.641 176.600 0.068 0.000 1.382 23 E CA 0.000 56.464 56.400 0.107 0.000 0.976 23 E CB 0.000 29.770 29.700 0.116 0.000 0.812 24 N N 1.108 119.838 118.700 0.050 0.000 2.530 24 N HA 0.111 4.855 4.740 0.006 0.000 0.277 24 N C 0.906 176.341 175.510 -0.125 0.000 1.168 24 N CA -0.416 52.650 53.050 0.025 0.000 0.979 24 N CB 1.401 39.898 38.487 0.017 0.000 1.141 24 N HN 0.163 nan 8.380 nan 0.000 0.459 25 L N 3.511 124.505 121.223 -0.382 0.000 1.997 25 L HA -0.163 4.180 4.340 0.006 0.000 0.216 25 L C 2.093 178.732 176.870 -0.384 0.000 1.074 25 L CA 2.148 56.486 54.840 -0.838 0.000 0.763 25 L CB -1.074 40.283 42.059 -1.170 0.000 0.890 25 L HN 0.914 nan 8.230 nan 0.000 0.434 26 M N -0.549 118.915 119.600 -0.226 0.000 2.082 26 M HA -0.292 4.191 4.480 0.006 0.000 0.258 26 M C 2.243 178.541 176.300 -0.004 0.000 1.069 26 M CA 2.053 57.300 55.300 -0.088 0.000 1.102 26 M CB -0.510 32.053 32.600 -0.060 0.000 1.336 26 M HN 0.451 nan 8.290 nan 0.000 0.404 27 Q N -1.045 118.743 119.800 -0.021 0.000 2.096 27 Q HA -0.163 4.181 4.340 0.006 0.000 0.204 27 Q C 2.083 178.102 176.000 0.033 0.000 0.982 27 Q CA 1.954 57.770 55.803 0.022 0.000 0.850 27 Q CB -0.392 28.367 28.738 0.036 0.000 0.901 27 Q HN 0.484 nan 8.270 nan 0.000 0.422 28 V N 0.138 120.026 119.914 -0.044 0.000 2.261 28 V HA -0.290 3.834 4.120 0.006 0.000 0.246 28 V C 1.945 178.042 176.094 0.004 0.000 1.047 28 V CA 2.016 64.264 62.300 -0.086 0.000 1.015 28 V CB -0.720 30.902 31.823 -0.334 0.000 0.642 28 V HN 0.405 nan 8.190 nan 0.000 0.446 29 Y N 1.232 121.453 120.300 -0.131 0.000 2.193 29 Y HA -0.291 4.262 4.550 0.006 0.000 0.285 29 Y C 2.662 178.540 175.900 -0.038 0.000 1.166 29 Y CA 1.822 59.866 58.100 -0.094 0.000 1.181 29 Y CB -0.221 38.162 38.460 -0.128 0.000 0.976 29 Y HN 0.306 nan 8.280 nan 0.000 0.520 30 Q N 0.212 119.975 119.800 -0.061 0.000 2.030 30 Q HA -0.263 4.080 4.340 0.006 0.000 0.204 30 Q C 2.170 178.093 176.000 -0.129 0.000 0.986 30 Q CA 2.145 57.885 55.803 -0.105 0.000 0.843 30 Q CB -0.717 28.021 28.738 0.002 0.000 0.904 30 Q HN 0.568 nan 8.270 nan 0.000 0.420 31 Q N 0.589 120.364 119.800 -0.042 0.000 2.084 31 Q HA -0.072 4.271 4.340 0.006 0.000 0.202 31 Q C 2.094 178.059 176.000 -0.059 0.000 0.978 31 Q CA 1.760 57.554 55.803 -0.016 0.000 0.844 31 Q CB -0.521 28.256 28.738 0.066 0.000 0.898 31 Q HN 0.452 nan 8.270 nan 0.000 0.426 32 A N 1.011 123.782 122.820 -0.082 0.000 1.859 32 A HA -0.302 4.021 4.320 0.006 0.000 0.217 32 A C 2.053 179.517 177.584 -0.200 0.000 1.198 32 A CA 1.973 53.943 52.037 -0.111 0.000 0.629 32 A CB -0.764 18.174 19.000 -0.103 0.000 0.830 32 A HN 0.340 nan 8.150 nan 0.000 0.446 33 R N 0.067 120.317 120.500 -0.418 0.000 2.113 33 R HA -0.206 4.137 4.340 0.006 0.000 0.244 33 R C 2.068 178.258 176.300 -0.184 0.000 1.142 33 R CA 2.188 58.041 56.100 -0.412 0.000 0.953 33 R CB -0.680 29.210 30.300 -0.682 0.000 0.860 33 R HN 0.609 nan 8.270 nan 0.000 0.438 34 L N -1.018 120.119 121.223 -0.143 0.000 2.291 34 L HA 0.087 4.431 4.340 0.006 0.000 0.214 34 L C 1.645 178.489 176.870 -0.043 0.000 1.120 34 L CA 1.779 56.576 54.840 -0.072 0.000 0.799 34 L CB 0.038 42.063 42.059 -0.056 0.000 0.925 34 L HN 0.223 nan 8.230 nan 0.000 0.446 35 S N -2.582 113.090 115.700 -0.046 0.000 2.787 35 S HA 0.162 4.636 4.470 0.006 0.000 0.255 35 S C 0.588 175.179 174.600 -0.015 0.000 1.051 35 S CA -0.598 57.588 58.200 -0.023 0.000 1.124 35 S CB -0.829 62.360 63.200 -0.018 0.000 1.104 35 S HN 0.446 nan 8.310 nan 0.000 0.623 36 N N 3.492 122.177 118.700 -0.025 0.000 2.411 36 N HA 0.103 4.847 4.740 0.006 0.000 0.265 36 N C -1.875 173.641 175.510 0.010 0.000 1.266 36 N CA -0.642 52.402 53.050 -0.009 0.000 0.889 36 N CB 1.327 39.802 38.487 -0.021 0.000 1.069 36 N HN 0.131 nan 8.380 nan 0.000 0.476 37 P HA 0.040 nan 4.420 nan 0.000 0.221 37 P C 0.585 177.904 177.300 0.032 0.000 1.155 37 P CA 0.894 64.006 63.100 0.021 0.000 0.812 37 P CB 0.455 32.165 31.700 0.017 0.000 0.801 38 E N -0.331 119.888 120.200 0.032 0.000 2.077 38 E HA -0.142 4.211 4.350 0.006 0.000 0.193 38 E C 1.876 178.512 176.600 0.060 0.000 0.989 38 E CA 0.812 57.236 56.400 0.040 0.000 0.800 38 E CB -1.053 28.666 29.700 0.032 0.000 0.746 38 E HN 0.101 nan 8.360 nan 0.000 0.452 39 L N 0.391 121.650 121.223 0.060 0.000 2.056 39 L HA -0.082 4.262 4.340 0.006 0.000 0.207 39 L C 2.008 178.979 176.870 0.169 0.000 1.078 39 L CA 1.637 56.538 54.840 0.102 0.000 0.749 39 L CB -0.014 42.080 42.059 0.059 0.000 0.901 39 L HN -0.104 nan 8.230 nan 0.000 0.433 40 R N -0.634 119.927 120.500 0.101 0.000 2.148 40 R HA -0.163 4.180 4.340 0.006 0.000 0.227 40 R C 2.192 178.529 176.300 0.062 0.000 1.103 40 R CA 1.221 57.368 56.100 0.079 0.000 0.983 40 R CB -0.188 30.137 30.300 0.041 0.000 0.874 40 R HN 0.223 nan 8.270 nan 0.000 0.451 41 K N 0.128 120.565 120.400 0.062 0.000 2.057 41 K HA -0.058 4.265 4.320 0.006 0.000 0.206 41 K C 2.038 178.681 176.600 0.072 0.000 1.050 41 K CA 1.940 58.259 56.287 0.053 0.000 0.935 41 K CB -0.461 32.067 32.500 0.046 0.000 0.715 41 K HN -0.028 nan 8.250 nan 0.000 0.439 42 S N -0.612 115.162 115.700 0.124 0.000 2.382 42 S HA -0.059 4.414 4.470 0.006 0.000 0.228 42 S C 1.916 176.613 174.600 0.161 0.000 1.027 42 S CA 1.186 59.498 58.200 0.187 0.000 0.991 42 S CB -0.528 62.835 63.200 0.273 0.000 0.823 42 S HN 0.492 nan 8.310 nan 0.000 0.469 43 A N 1.222 124.098 122.820 0.093 0.000 1.898 43 A HA 0.245 4.568 4.320 0.006 0.000 0.216 43 A C 2.439 179.928 177.584 -0.158 0.000 1.181 43 A CA 1.703 53.583 52.037 -0.261 0.000 0.620 43 A CB -1.320 17.567 19.000 -0.187 0.000 0.819 43 A HN 0.711 nan 8.150 nan 0.000 0.442 44 A N -0.116 122.674 122.820 -0.050 0.000 1.972 44 A HA -0.180 4.143 4.320 0.006 0.000 0.219 44 A C 1.751 179.330 177.584 -0.008 0.000 1.169 44 A CA 1.896 53.917 52.037 -0.028 0.000 0.635 44 A CB -0.556 18.441 19.000 -0.005 0.000 0.810 44 A HN 0.447 nan 8.150 nan 0.000 0.446 45 D N -0.809 119.598 120.400 0.011 0.000 2.144 45 D HA -0.136 4.508 4.640 0.006 0.000 0.199 45 D C 2.094 178.418 176.300 0.040 0.000 0.984 45 D CA 1.088 55.107 54.000 0.031 0.000 0.834 45 D CB -0.255 40.576 40.800 0.052 0.000 0.955 45 D HN 0.483 nan 8.370 nan 0.000 0.465 46 R N 0.485 120.998 120.500 0.021 0.000 2.090 46 R HA -0.092 4.252 4.340 0.006 0.000 0.228 46 R C 1.093 177.478 176.300 0.142 0.000 1.110 46 R CA 1.005 57.154 56.100 0.081 0.000 0.973 46 R CB 0.176 30.455 30.300 -0.036 0.000 0.869 46 R HN 0.036 nan 8.270 nan 0.000 0.440 47 D N 0.300 120.709 120.400 0.014 0.000 2.178 47 D HA -0.084 4.560 4.640 0.006 0.000 0.202 47 D C 1.592 177.937 176.300 0.076 0.000 0.974 47 D CA 1.231 55.241 54.000 0.018 0.000 0.841 47 D CB -0.028 40.742 40.800 -0.051 0.000 0.953 47 D HN 0.321 nan 8.370 nan 0.000 0.478 48 A N 1.077 123.931 122.820 0.057 0.000 1.897 48 A HA 0.095 4.419 4.320 0.006 0.000 0.215 48 A C 2.315 179.934 177.584 0.059 0.000 1.181 48 A CA 1.703 53.768 52.037 0.048 0.000 0.620 48 A CB -0.637 18.379 19.000 0.027 0.000 0.821 48 A HN 0.203 nan 8.150 nan 0.000 0.443 49 A N -1.105 121.753 122.820 0.063 0.000 1.908 49 A HA -0.062 4.261 4.320 0.006 0.000 0.218 49 A C 1.974 179.541 177.584 -0.029 0.000 1.181 49 A CA 1.565 53.606 52.037 0.006 0.000 0.627 49 A CB -0.769 18.220 19.000 -0.018 0.000 0.818 49 A HN 0.466 nan 8.150 nan 0.000 0.445 50 F N -0.270 119.672 119.950 -0.013 0.000 2.186 50 F HA -0.100 4.430 4.527 0.005 0.000 0.299 50 F C 2.386 178.181 175.800 -0.008 0.000 1.090 50 F CA 1.700 59.694 58.000 -0.010 0.000 1.307 50 F CB -0.126 38.863 39.000 -0.018 0.000 1.019 50 F HN 0.318 nan 8.300 nan 0.000 0.489 51 E N 0.897 121.196 120.200 0.165 0.000 2.150 51 E HA -0.226 4.127 4.350 0.006 0.000 0.193 51 E C 1.959 178.585 176.600 0.044 0.000 0.985 51 E CA 1.081 57.533 56.400 0.087 0.000 0.814 51 E CB -0.171 29.563 29.700 0.058 0.000 0.752 51 E HN 0.064 nan 8.360 nan 0.000 0.466 52 K N 0.436 120.850 120.400 0.024 0.000 2.211 52 K HA -0.081 4.242 4.320 0.006 0.000 0.204 52 K C 1.768 178.362 176.600 -0.011 0.000 1.047 52 K CA 1.314 57.599 56.287 -0.003 0.000 0.935 52 K CB -0.445 32.043 32.500 -0.020 0.000 0.728 52 K HN 0.296 nan 8.250 nan 0.000 0.452 53 I N 0.845 121.410 120.570 -0.008 0.000 2.335 53 I HA -0.322 3.852 4.170 0.006 0.000 0.251 53 I C 1.476 177.596 176.117 0.006 0.000 1.129 53 I CA 1.065 62.362 61.300 -0.005 0.000 1.402 53 I CB -0.373 37.633 38.000 0.010 0.000 1.069 53 I HN 0.249 nan 8.210 nan 0.000 0.424 54 N N 0.407 119.115 118.700 0.013 0.000 2.270 54 N HA -0.174 4.569 4.740 0.006 0.000 0.181 54 N C 1.754 177.258 175.510 -0.010 0.000 1.016 54 N CA 0.967 54.021 53.050 0.007 0.000 0.870 54 N CB -0.192 38.303 38.487 0.014 0.000 0.979 54 N HN 0.442 nan 8.380 nan 0.000 0.431 55 E N 0.412 120.605 120.200 -0.012 0.000 2.152 55 E HA 0.018 4.371 4.350 0.006 0.000 0.192 55 E C 1.570 178.149 176.600 -0.034 0.000 0.983 55 E CA 0.480 56.867 56.400 -0.022 0.000 0.818 55 E CB 0.140 29.830 29.700 -0.018 0.000 0.758 55 E HN 0.293 nan 8.360 nan 0.000 0.467 56 A N 1.212 124.013 122.820 -0.031 0.000 1.929 56 A HA -0.123 4.200 4.320 0.006 0.000 0.216 56 A C 2.112 179.661 177.584 -0.059 0.000 1.176 56 A CA 1.143 53.157 52.037 -0.039 0.000 0.628 56 A CB -0.321 18.663 19.000 -0.026 0.000 0.816 56 A HN 0.116 nan 8.150 nan 0.000 0.444 57 R N 0.494 120.964 120.500 -0.051 0.000 2.193 57 R HA -0.075 4.268 4.340 0.006 0.000 0.213 57 R C 2.151 178.381 176.300 -0.117 0.000 1.055 57 R CA 1.445 57.497 56.100 -0.081 0.000 0.995 57 R CB -0.247 30.035 30.300 -0.029 0.000 0.893 57 R HN 0.611 nan 8.270 nan 0.000 0.459 58 S N 0.680 116.329 115.700 -0.084 0.000 2.400 58 S HA -0.009 4.465 4.470 0.006 0.000 0.232 58 S C -1.017 173.520 174.600 -0.105 0.000 1.025 58 S CA 0.513 58.666 58.200 -0.079 0.000 0.993 58 S CB -0.982 62.186 63.200 -0.054 0.000 0.808 58 S HN 0.313 nan 8.310 nan 0.000 0.478 59 P HA 0.133 nan 4.420 nan 0.000 0.226 59 P C 1.107 178.289 177.300 -0.197 0.000 1.153 59 P CA 0.562 63.576 63.100 -0.143 0.000 0.777 59 P CB -0.171 31.443 31.700 -0.144 0.000 0.794 60 L N -2.169 118.893 121.223 -0.268 0.000 2.270 60 L HA 0.015 4.359 4.340 0.006 0.000 0.210 60 L C 1.328 178.082 176.870 -0.194 0.000 1.104 60 L CA 0.434 55.061 54.840 -0.355 0.000 0.804 60 L CB -0.567 41.107 42.059 -0.641 0.000 0.937 60 L HN -0.057 nan 8.230 nan 0.000 0.450 61 L N -0.508 120.635 121.223 -0.133 0.000 2.468 61 L HA 0.272 4.615 4.340 0.006 0.000 0.254 61 L C -2.068 174.768 176.870 -0.058 0.000 1.171 61 L CA -2.077 52.721 54.840 -0.070 0.000 0.809 61 L CB -0.210 41.819 42.059 -0.049 0.000 1.155 61 L HN -0.244 nan 8.230 nan 0.000 0.473 62 P HA 0.042 nan 4.420 nan 0.000 0.268 62 P C -1.394 175.888 177.300 -0.030 0.000 1.205 62 P CA -0.172 62.911 63.100 -0.028 0.000 0.771 62 P CB 0.432 32.123 31.700 -0.015 0.000 0.858 63 Q N 2.110 121.892 119.800 -0.030 0.000 2.333 63 Q HA 0.506 4.849 4.340 0.006 0.000 0.265 63 Q C -0.951 175.037 176.000 -0.020 0.000 0.989 63 Q CA -0.715 55.071 55.803 -0.028 0.000 0.842 63 Q CB 2.024 30.741 28.738 -0.034 0.000 1.262 63 Q HN 0.326 nan 8.270 nan 0.000 0.451 64 L N 1.288 122.501 121.223 -0.017 0.000 2.362 64 L HA 0.883 5.226 4.340 0.006 0.000 0.275 64 L C -0.517 176.346 176.870 -0.011 0.000 0.998 64 L CA -0.063 54.770 54.840 -0.012 0.000 0.820 64 L CB 2.111 44.164 42.059 -0.009 0.000 1.270 64 L HN 0.649 nan 8.230 nan 0.000 0.415 65 G N 4.074 112.868 108.800 -0.009 0.000 2.720 65 G HA2 0.545 4.508 3.960 0.006 0.000 0.295 65 G HA3 0.545 4.508 3.960 0.006 0.000 0.295 65 G C -2.475 172.422 174.900 -0.005 0.000 1.437 65 G CA -0.614 44.481 45.100 -0.008 0.000 0.886 65 G HN 0.728 nan 8.290 nan 0.000 0.509 66 L N 0.801 122.021 121.223 -0.004 0.000 2.346 66 L HA 0.939 5.282 4.340 0.006 0.000 0.274 66 L C 0.307 177.177 176.870 -0.000 0.000 1.007 66 L CA -0.354 54.485 54.840 -0.002 0.000 0.818 66 L CB 2.145 44.203 42.059 -0.001 0.000 1.284 66 L HN 0.907 nan 8.230 nan 0.000 0.424 67 G N 2.514 111.315 108.800 0.002 0.000 2.696 67 G HA2 0.819 4.782 3.960 0.006 0.000 0.295 67 G HA3 0.819 4.782 3.960 0.006 0.000 0.295 67 G C -2.106 172.800 174.900 0.009 0.000 1.398 67 G CA -0.122 44.981 45.100 0.005 0.000 0.920 67 G HN 0.894 nan 8.290 nan 0.000 0.492 68 A N 0.684 123.513 122.820 0.015 0.000 2.572 68 A HA 0.858 5.181 4.320 0.006 0.000 0.295 68 A C -1.799 175.807 177.584 0.037 0.000 1.072 68 A CA -0.674 51.378 52.037 0.024 0.000 0.691 68 A CB 2.145 21.158 19.000 0.022 0.000 1.291 68 A HN 0.537 nan 8.150 nan 0.000 0.404 69 D N 0.087 120.518 120.400 0.052 0.000 2.990 69 D HA 0.427 5.071 4.640 0.006 0.000 0.227 69 D C -2.049 174.325 176.300 0.122 0.000 1.249 69 D CA 0.134 54.173 54.000 0.065 0.000 0.891 69 D CB 2.223 43.040 40.800 0.028 0.000 1.647 69 D HN 0.511 nan 8.370 nan 0.000 0.530 70 Y N 0.806 121.105 120.300 -0.001 0.000 2.446 70 Y HA 0.529 5.082 4.550 0.005 0.000 0.345 70 Y C -1.234 174.674 175.900 0.013 0.000 0.984 70 Y CA -0.186 57.917 58.100 0.003 0.000 1.058 70 Y CB 2.053 40.515 38.460 0.004 0.000 1.220 70 Y HN 0.138 nan 8.280 nan 0.000 0.455 71 T N 6.264 120.313 114.554 -0.843 0.000 3.011 71 T HA 0.215 4.568 4.350 0.006 0.000 0.303 71 T C -2.014 172.237 174.700 -0.747 0.000 0.997 71 T CA -0.489 61.209 62.100 -0.670 0.000 1.007 71 T CB 0.480 69.169 68.868 -0.298 0.000 1.017 71 T HN 0.546 nan 8.240 nan 0.000 0.443 72 Y N 2.627 122.511 120.300 -0.694 0.000 2.342 72 Y HA 0.662 5.215 4.550 0.006 0.000 0.334 72 Y C -0.456 175.324 175.900 -0.200 0.000 1.067 72 Y CA -0.578 57.318 58.100 -0.340 0.000 1.128 72 Y CB 1.169 39.545 38.460 -0.139 0.000 1.200 72 Y HN 0.666 nan 8.280 nan 0.000 0.464 73 S N 5.613 120.794 115.700 -0.865 0.000 2.541 73 S HA 0.458 4.931 4.470 0.006 0.000 0.280 73 S C -1.639 172.468 174.600 -0.822 0.000 1.112 73 S CA -1.155 56.634 58.200 -0.685 0.000 0.925 73 S CB 1.510 64.488 63.200 -0.370 0.000 1.067 73 S HN 0.768 nan 8.310 nan 0.000 0.479 74 N N 0.144 118.500 118.700 -0.573 0.000 2.295 74 N HA 0.474 5.218 4.740 0.006 0.000 0.293 74 N C -0.740 174.588 175.510 -0.304 0.000 1.040 74 N CA -0.639 52.191 53.050 -0.367 0.000 0.840 74 N CB 1.827 40.174 38.487 -0.232 0.000 1.468 74 N HN 0.710 nan 8.380 nan 0.000 0.478 75 G N 1.875 110.536 108.800 -0.232 0.000 2.377 75 G HA2 0.410 4.373 3.960 0.006 0.000 0.316 75 G HA3 0.410 4.373 3.960 0.006 0.000 0.316 75 G C -0.669 174.161 174.900 -0.116 0.000 1.115 75 G CA -0.773 44.185 45.100 -0.236 0.000 0.952 75 G HN 0.629 nan 8.290 nan 0.000 0.441 76 Y N 1.486 121.755 120.300 -0.053 0.000 2.404 76 Y HA 0.636 5.190 4.550 0.006 0.000 0.344 76 Y C 0.554 176.436 175.900 -0.031 0.000 0.995 76 Y CA -1.615 56.463 58.100 -0.036 0.000 1.201 76 Y CB 0.593 39.037 38.460 -0.026 0.000 1.151 76 Y HN 0.673 nan 8.280 nan 0.000 0.517 77 R N 2.800 123.396 120.500 0.161 0.000 1.470 77 R HA -0.262 4.081 4.340 0.006 0.000 0.398 77 R C 0.054 176.397 176.300 0.072 0.000 1.311 77 R CA 0.807 56.962 56.100 0.091 0.000 1.214 77 R CB -0.907 29.433 30.300 0.067 0.000 3.485 77 R HN 1.083 nan 8.270 nan 0.000 0.483 78 D N 0.996 121.419 120.400 0.037 0.000 2.845 78 D HA -0.313 4.330 4.640 0.006 0.000 0.167 78 D C 0.984 177.290 176.300 0.010 0.000 1.672 78 D CA 2.673 56.688 54.000 0.025 0.000 1.924 78 D CB -1.033 39.785 40.800 0.031 0.000 1.372 78 D HN 0.788 nan 8.370 nan 0.000 0.423 79 A N 0.243 123.067 122.820 0.006 0.000 2.235 79 A HA 0.153 4.476 4.320 0.006 0.000 0.208 79 A C 1.162 178.705 177.584 -0.069 0.000 1.172 79 A CA 1.560 53.568 52.037 -0.048 0.000 0.786 79 A CB -0.385 18.571 19.000 -0.074 0.000 0.804 79 A HN 0.521 nan 8.150 nan 0.000 0.479 80 N N -2.036 116.649 118.700 -0.025 0.000 2.725 80 N HA -0.193 4.551 4.740 0.006 0.000 0.249 80 N C 0.649 176.135 175.510 -0.040 0.000 1.103 80 N CA 1.830 54.862 53.050 -0.031 0.000 0.707 80 N CB -1.894 36.565 38.487 -0.047 0.000 1.043 80 N HN 1.432 nan 8.380 nan 0.000 0.553 81 G N -0.347 108.438 108.800 -0.024 0.000 2.390 81 G HA2 -0.285 3.678 3.960 0.006 0.000 0.299 81 G HA3 -0.285 3.678 3.960 0.006 0.000 0.299 81 G C 0.105 174.973 174.900 -0.052 0.000 1.002 81 G CA 0.598 45.685 45.100 -0.021 0.000 0.979 81 G HN 0.601 nan 8.290 nan 0.000 0.513 82 I N 0.527 121.035 120.570 -0.103 0.000 2.355 82 I HA 0.271 4.445 4.170 0.006 0.000 0.288 82 I C -0.172 175.871 176.117 -0.123 0.000 0.999 82 I CA -0.975 60.238 61.300 -0.144 0.000 1.163 82 I CB 1.173 38.989 38.000 -0.307 0.000 1.316 82 I HN 0.031 nan 8.210 nan 0.000 0.454 83 N N 3.967 122.632 118.700 -0.059 0.000 2.477 83 N HA 0.646 5.389 4.740 0.006 0.000 0.284 83 N C -0.753 174.742 175.510 -0.025 0.000 1.182 83 N CA -0.642 52.357 53.050 -0.085 0.000 0.949 83 N CB 1.840 40.323 38.487 -0.008 0.000 1.204 83 N HN 0.606 nan 8.380 nan 0.000 0.526 84 S N -0.259 115.362 115.700 -0.132 0.000 2.537 84 S HA 0.537 5.011 4.470 0.006 0.000 0.270 84 S C -1.568 172.979 174.600 -0.089 0.000 1.142 84 S CA -1.026 57.079 58.200 -0.158 0.000 0.870 84 S CB 1.418 64.481 63.200 -0.228 0.000 1.112 84 S HN 0.366 nan 8.310 nan 0.000 0.466 85 N N 0.792 119.454 118.700 -0.064 0.000 2.342 85 N HA 0.742 5.485 4.740 0.006 0.000 0.293 85 N C -1.220 174.249 175.510 -0.067 0.000 1.026 85 N CA -0.322 52.750 53.050 0.036 0.000 0.857 85 N CB 1.996 40.599 38.487 0.194 0.000 1.256 85 N HN 0.990 nan 8.380 nan 0.000 0.484 86 A N 1.431 124.195 122.820 -0.094 0.000 2.353 86 A HA 0.671 4.995 4.320 0.006 0.000 0.299 86 A C -0.673 176.937 177.584 0.044 0.000 1.089 86 A CA -0.525 51.471 52.037 -0.069 0.000 0.736 86 A CB 0.670 19.597 19.000 -0.122 0.000 1.195 86 A HN 0.456 nan 8.150 nan 0.000 0.447 87 T N 1.768 116.372 114.554 0.083 0.000 2.848 87 T HA 0.763 5.117 4.350 0.006 0.000 0.285 87 T C -0.190 174.544 174.700 0.057 0.000 0.995 87 T CA -0.339 61.834 62.100 0.123 0.000 0.970 87 T CB 1.423 70.367 68.868 0.126 0.000 0.976 87 T HN 1.305 nan 8.240 nan 0.000 0.441 88 S N 1.003 116.735 115.700 0.053 0.000 2.570 88 S HA 0.929 5.402 4.470 0.006 0.000 0.270 88 S C -1.252 173.365 174.600 0.028 0.000 1.149 88 S CA -0.966 57.252 58.200 0.030 0.000 0.837 88 S CB 1.904 65.116 63.200 0.019 0.000 1.124 88 S HN 1.197 nan 8.310 nan 0.000 0.465 89 A N 0.918 123.749 122.820 0.019 0.000 2.587 89 A HA 0.988 5.312 4.320 0.006 0.000 0.293 89 A C -0.542 177.048 177.584 0.009 0.000 1.087 89 A CA -0.353 51.692 52.037 0.014 0.000 0.692 89 A CB 1.488 20.495 19.000 0.012 0.000 1.291 89 A HN 2.325 nan 8.150 nan 0.000 0.407 90 S N 0.099 115.803 115.700 0.007 0.000 2.560 90 S HA 0.541 5.014 4.470 0.006 0.000 0.283 90 S C -1.567 173.035 174.600 0.002 0.000 1.141 90 S CA -0.566 57.636 58.200 0.004 0.000 0.902 90 S CB 0.941 64.144 63.200 0.004 0.000 1.104 90 S HN 1.830 nan 8.310 nan 0.000 0.454 91 L N 2.250 123.474 121.223 0.001 0.000 2.264 91 L HA 0.599 4.942 4.340 0.006 0.000 0.289 91 L C -0.491 176.378 176.870 -0.001 0.000 1.044 91 L CA 0.320 55.160 54.840 -0.000 0.000 0.807 91 L CB 0.947 43.006 42.059 -0.000 0.000 1.192 91 L HN 0.871 nan 8.230 nan 0.000 0.425 92 Q N 4.955 124.753 119.800 -0.003 0.000 2.330 92 Q HA 0.533 4.876 4.340 0.006 0.000 0.269 92 Q C -1.379 174.617 176.000 -0.007 0.000 1.022 92 Q CA -0.567 55.233 55.803 -0.005 0.000 0.796 92 Q CB 2.879 31.613 28.738 -0.006 0.000 1.271 92 Q HN 0.684 nan 8.270 nan 0.000 0.450 93 L N 2.130 123.349 121.223 -0.007 0.000 2.317 93 L HA 0.708 5.052 4.340 0.006 0.000 0.281 93 L C -0.783 176.080 176.870 -0.013 0.000 1.024 93 L CA -0.212 54.623 54.840 -0.009 0.000 0.810 93 L CB 1.676 43.732 42.059 -0.006 0.000 1.240 93 L HN 0.754 nan 8.230 nan 0.000 0.427 94 T N 1.069 115.612 114.554 -0.019 0.000 2.893 94 T HA 0.660 5.014 4.350 0.006 0.000 0.293 94 T C -0.914 173.768 174.700 -0.030 0.000 1.027 94 T CA -0.712 61.373 62.100 -0.025 0.000 0.988 94 T CB 1.877 70.726 68.868 -0.032 0.000 1.043 94 T HN 0.552 nan 8.240 nan 0.000 0.461 95 Q N 1.268 121.049 119.800 -0.031 0.000 2.268 95 Q HA 0.537 4.881 4.340 0.006 0.000 0.266 95 Q C -1.051 174.923 176.000 -0.042 0.000 1.006 95 Q CA -0.297 55.486 55.803 -0.032 0.000 0.824 95 Q CB 2.403 31.134 28.738 -0.012 0.000 1.306 95 Q HN 0.817 nan 8.270 nan 0.000 0.424 96 S N 4.796 120.458 115.700 -0.063 0.000 2.505 96 S HA 0.289 4.763 4.470 0.006 0.000 0.276 96 S C 0.812 175.401 174.600 -0.018 0.000 1.274 96 S CA -0.378 57.776 58.200 -0.076 0.000 1.053 96 S CB 0.169 63.294 63.200 -0.124 0.000 0.919 96 S HN 0.667 nan 8.310 nan 0.000 0.490 97 I N 3.939 124.501 120.570 -0.013 0.000 2.685 97 I HA 0.243 4.417 4.170 0.006 0.000 0.251 97 I C 0.320 176.598 176.117 0.270 0.000 1.102 97 I CA 0.862 62.222 61.300 0.099 0.000 1.442 97 I CB -0.676 37.372 38.000 0.080 0.000 1.194 97 I HN 0.686 nan 8.210 nan 0.000 0.448 98 F N 0.349 120.371 119.950 0.121 0.000 2.574 98 F HA 0.726 5.256 4.527 0.004 0.000 0.313 98 F C -1.174 174.689 175.800 0.106 0.000 1.130 98 F CA -1.181 56.920 58.000 0.169 0.000 0.936 98 F CB 1.539 40.642 39.000 0.171 0.000 1.219 98 F HN -0.170 nan 8.300 nan 0.000 0.445 99 D N 5.289 125.855 120.400 0.276 0.000 2.452 99 D HA 0.203 4.847 4.640 0.006 0.000 0.226 99 D C 0.134 176.580 176.300 0.244 0.000 1.366 99 D CA -0.310 53.774 54.000 0.141 0.000 0.986 99 D CB 1.613 42.394 40.800 -0.032 0.000 1.420 99 D HN 0.687 nan 8.370 nan 0.000 0.583 100 M N 1.218 120.982 119.600 0.275 0.000 2.229 100 M HA -0.090 4.393 4.480 0.006 0.000 0.264 100 M C 1.798 178.219 176.300 0.203 0.000 1.063 100 M CA 0.785 56.260 55.300 0.293 0.000 1.114 100 M CB -0.336 32.383 32.600 0.198 0.000 1.387 100 M HN 0.269 nan 8.290 nan 0.000 0.420 101 S N 0.704 116.467 115.700 0.105 0.000 2.370 101 S HA -0.150 4.323 4.470 0.006 0.000 0.226 101 S C 1.837 176.454 174.600 0.029 0.000 1.033 101 S CA 1.345 59.575 58.200 0.049 0.000 1.011 101 S CB -0.102 63.100 63.200 0.004 0.000 0.852 101 S HN 0.434 nan 8.310 nan 0.000 0.457 102 K N -0.184 120.204 120.400 -0.020 0.000 2.026 102 K HA -0.121 4.203 4.320 0.006 0.000 0.208 102 K C 1.923 178.454 176.600 -0.115 0.000 1.048 102 K CA 1.487 57.701 56.287 -0.123 0.000 0.929 102 K CB -0.249 32.104 32.500 -0.244 0.000 0.713 102 K HN 0.425 nan 8.250 nan 0.000 0.439 103 W N 1.012 122.321 121.300 0.015 0.000 2.333 103 W HA -0.183 4.479 4.660 0.003 0.000 0.316 103 W C 2.501 179.024 176.519 0.007 0.000 1.215 103 W CA 0.710 58.064 57.345 0.015 0.000 1.278 103 W CB -0.221 29.254 29.460 0.025 0.000 1.154 103 W HN 0.019 nan 8.180 nan 0.000 0.486 104 R N 0.870 121.514 120.500 0.239 0.000 2.127 104 R HA -0.151 4.192 4.340 0.006 0.000 0.238 104 R C 2.092 178.440 176.300 0.079 0.000 1.134 104 R CA 1.788 57.968 56.100 0.133 0.000 0.975 104 R CB -0.936 29.421 30.300 0.095 0.000 0.865 104 R HN 0.131 nan 8.270 nan 0.000 0.447 105 A N 0.095 122.946 122.820 0.051 0.000 1.902 105 A HA -0.129 4.194 4.320 0.006 0.000 0.217 105 A C 1.972 179.567 177.584 0.018 0.000 1.181 105 A CA 1.427 53.473 52.037 0.015 0.000 0.623 105 A CB -0.617 18.372 19.000 -0.018 0.000 0.818 105 A HN 0.353 nan 8.150 nan 0.000 0.443 106 L N -0.069 121.178 121.223 0.040 0.000 2.056 106 L HA -0.074 4.270 4.340 0.006 0.000 0.207 106 L C 2.380 179.287 176.870 0.062 0.000 1.078 106 L CA 2.809 57.679 54.840 0.050 0.000 0.749 106 L CB -1.126 40.983 42.059 0.084 0.000 0.901 106 L HN 0.378 nan 8.230 nan 0.000 0.433 107 T N -0.104 114.504 114.554 0.089 0.000 2.746 107 T HA -0.180 4.174 4.350 0.006 0.000 0.267 107 T C 1.998 176.715 174.700 0.028 0.000 1.039 107 T CA 1.840 63.978 62.100 0.063 0.000 1.142 107 T CB -0.438 68.471 68.868 0.069 0.000 0.866 107 T HN 0.309 nan 8.240 nan 0.000 0.444 108 L N 0.612 121.850 121.223 0.024 0.000 2.131 108 L HA -0.110 4.234 4.340 0.006 0.000 0.210 108 L C 2.870 179.729 176.870 -0.018 0.000 1.092 108 L CA 1.013 55.857 54.840 0.007 0.000 0.759 108 L CB -0.388 41.678 42.059 0.011 0.000 0.903 108 L HN 0.190 nan 8.230 nan 0.000 0.435 109 Q N 0.331 120.117 119.800 -0.024 0.000 2.123 109 Q HA -0.170 4.173 4.340 0.006 0.000 0.199 109 Q C 1.944 177.881 176.000 -0.105 0.000 0.966 109 Q CA 1.455 57.224 55.803 -0.056 0.000 0.845 109 Q CB 0.082 28.794 28.738 -0.045 0.000 0.907 109 Q HN 0.439 nan 8.270 nan 0.000 0.439 110 E N -0.251 119.902 120.200 -0.078 0.000 2.051 110 E HA -0.177 4.176 4.350 0.006 0.000 0.192 110 E C 1.898 178.424 176.600 -0.124 0.000 0.991 110 E CA 1.130 57.464 56.400 -0.109 0.000 0.799 110 E CB 0.016 29.697 29.700 -0.032 0.000 0.748 110 E HN 0.166 nan 8.360 nan 0.000 0.449 111 K N 0.528 120.890 120.400 -0.064 0.000 2.020 111 K HA -0.174 4.149 4.320 0.006 0.000 0.212 111 K C 2.255 178.812 176.600 -0.071 0.000 1.050 111 K CA 1.275 57.535 56.287 -0.045 0.000 0.929 111 K CB -0.499 31.995 32.500 -0.011 0.000 0.714 111 K HN 0.119 nan 8.250 nan 0.000 0.443 112 A N 1.609 124.380 122.820 -0.081 0.000 1.883 112 A HA -0.161 4.162 4.320 0.006 0.000 0.217 112 A C 2.459 179.955 177.584 -0.147 0.000 1.186 112 A CA 2.381 54.367 52.037 -0.085 0.000 0.624 112 A CB -0.714 18.244 19.000 -0.071 0.000 0.822 112 A HN 0.369 nan 8.150 nan 0.000 0.444 113 A N -0.688 121.959 122.820 -0.289 0.000 1.933 113 A HA 0.143 4.467 4.320 0.006 0.000 0.218 113 A C 2.389 179.677 177.584 -0.494 0.000 1.175 113 A CA 1.880 53.567 52.037 -0.583 0.000 0.628 113 A CB -1.309 17.006 19.000 -1.142 0.000 0.814 113 A HN 0.750 nan 8.150 nan 0.000 0.444 114 G N 0.151 108.779 108.800 -0.287 0.000 2.418 114 G HA2 -0.176 3.787 3.960 0.006 0.000 0.217 114 G HA3 -0.176 3.787 3.960 0.006 0.000 0.217 114 G C 1.505 176.419 174.900 0.024 0.000 1.158 114 G CA 1.093 46.164 45.100 -0.048 0.000 0.771 114 G HN 0.490 nan 8.290 nan 0.000 0.545 115 I N 0.140 120.706 120.570 -0.006 0.000 2.226 115 I HA -0.202 3.971 4.170 0.006 0.000 0.245 115 I C 2.995 179.146 176.117 0.057 0.000 1.100 115 I CA 0.935 62.251 61.300 0.026 0.000 1.374 115 I CB -0.237 37.771 38.000 0.013 0.000 1.057 115 I HN 0.118 nan 8.210 nan 0.000 0.413 116 Q N 0.414 120.242 119.800 0.047 0.000 2.112 116 Q HA -0.270 4.073 4.340 0.006 0.000 0.206 116 Q C 1.875 177.985 176.000 0.185 0.000 0.987 116 Q CA 1.725 57.588 55.803 0.100 0.000 0.858 116 Q CB -0.536 28.251 28.738 0.082 0.000 0.905 116 Q HN 0.476 nan 8.270 nan 0.000 0.420 117 D N -0.362 120.177 120.400 0.232 0.000 2.149 117 D HA -0.110 4.533 4.640 0.006 0.000 0.198 117 D C 1.882 178.321 176.300 0.232 0.000 0.990 117 D CA 0.785 54.959 54.000 0.289 0.000 0.839 117 D CB 0.232 41.236 40.800 0.340 0.000 0.948 117 D HN 0.060 nan 8.370 nan 0.000 0.460 118 V N 0.243 120.253 119.914 0.160 0.000 2.453 118 V HA -0.156 3.968 4.120 0.006 0.000 0.247 118 V C 2.416 178.571 176.094 0.102 0.000 1.048 118 V CA 1.852 64.220 62.300 0.113 0.000 1.049 118 V CB -0.824 31.047 31.823 0.079 0.000 0.672 118 V HN 0.189 nan 8.190 nan 0.000 0.457 119 T N -0.738 113.884 114.554 0.114 0.000 3.007 119 T HA -0.193 4.161 4.350 0.006 0.000 0.270 119 T C 1.684 176.464 174.700 0.134 0.000 1.107 119 T CA 1.575 63.736 62.100 0.101 0.000 1.118 119 T CB -0.345 68.580 68.868 0.095 0.000 0.889 119 T HN 0.588 nan 8.240 nan 0.000 0.506 120 Y N 1.437 121.770 120.300 0.054 0.000 2.397 120 Y HA 0.120 4.673 4.550 0.006 0.000 0.292 120 Y C 2.408 178.334 175.900 0.043 0.000 1.115 120 Y CA 0.575 58.705 58.100 0.050 0.000 1.208 120 Y CB -0.133 38.363 38.460 0.060 0.000 1.046 120 Y HN 0.124 nan 8.280 nan 0.000 0.552 121 Q N -0.695 119.102 119.800 -0.007 0.000 2.119 121 Q HA -0.136 4.208 4.340 0.006 0.000 0.201 121 Q C 1.955 177.893 176.000 -0.104 0.000 0.972 121 Q CA 2.116 57.870 55.803 -0.081 0.000 0.847 121 Q CB -0.116 28.635 28.738 0.022 0.000 0.903 121 Q HN 0.416 nan 8.270 nan 0.000 0.433 122 T N 1.073 115.596 114.554 -0.052 0.000 2.788 122 T HA -0.128 4.226 4.350 0.006 0.000 0.268 122 T C 1.014 175.671 174.700 -0.071 0.000 1.044 122 T CA 1.391 63.466 62.100 -0.042 0.000 1.139 122 T CB -0.193 68.671 68.868 -0.008 0.000 0.867 122 T HN 0.215 nan 8.240 nan 0.000 0.454 123 D N 1.037 121.371 120.400 -0.109 0.000 2.277 123 D HA -0.006 4.637 4.640 0.006 0.000 0.208 123 D C 2.221 178.412 176.300 -0.182 0.000 0.962 123 D CA 0.601 54.530 54.000 -0.118 0.000 0.865 123 D CB -0.205 40.549 40.800 -0.076 0.000 0.939 123 D HN 0.433 nan 8.370 nan 0.000 0.510 124 Q N 0.020 119.639 119.800 -0.302 0.000 2.230 124 Q HA -0.064 4.280 4.340 0.006 0.000 0.202 124 Q C 1.926 177.875 176.000 -0.086 0.000 0.963 124 Q CA 0.785 56.450 55.803 -0.230 0.000 0.866 124 Q CB 0.164 28.726 28.738 -0.295 0.000 0.931 124 Q HN 0.405 nan 8.270 nan 0.000 0.452 125 Q N -0.867 118.883 119.800 -0.085 0.000 2.212 125 Q HA -0.047 4.296 4.340 0.006 0.000 0.199 125 Q C 1.910 177.889 176.000 -0.035 0.000 0.950 125 Q CA 1.380 57.150 55.803 -0.055 0.000 0.863 125 Q CB 0.300 29.008 28.738 -0.051 0.000 0.944 125 Q HN 0.360 nan 8.270 nan 0.000 0.465 126 T N 1.818 116.353 114.554 -0.031 0.000 2.788 126 T HA -0.139 4.214 4.350 0.006 0.000 0.268 126 T C 1.802 176.508 174.700 0.010 0.000 1.044 126 T CA 0.817 62.911 62.100 -0.011 0.000 1.139 126 T CB -0.197 68.665 68.868 -0.009 0.000 0.867 126 T HN 0.088 nan 8.240 nan 0.000 0.454 127 L N 1.153 122.392 121.223 0.026 0.000 2.017 127 L HA 0.070 4.413 4.340 0.006 0.000 0.208 127 L C 2.174 179.123 176.870 0.131 0.000 1.073 127 L CA 1.420 56.309 54.840 0.081 0.000 0.745 127 L CB -0.709 41.410 42.059 0.100 0.000 0.894 127 L HN 0.248 nan 8.230 nan 0.000 0.432 128 I N -1.214 119.413 120.570 0.094 0.000 2.127 128 I HA -0.315 3.858 4.170 0.006 0.000 0.241 128 I C 2.376 178.450 176.117 -0.071 0.000 1.075 128 I CA 1.195 62.445 61.300 -0.084 0.000 1.334 128 I CB -0.496 37.364 38.000 -0.233 0.000 1.040 128 I HN 0.302 nan 8.210 nan 0.000 0.405 129 L N 1.160 122.359 121.223 -0.039 0.000 2.042 129 L HA -0.234 4.109 4.340 0.006 0.000 0.210 129 L C 2.172 179.045 176.870 0.005 0.000 1.076 129 L CA 1.950 56.779 54.840 -0.018 0.000 0.749 129 L CB -1.060 40.993 42.059 -0.009 0.000 0.893 129 L HN 0.259 nan 8.230 nan 0.000 0.432 130 N N -1.374 117.335 118.700 0.015 0.000 2.171 130 N HA -0.107 4.636 4.740 0.006 0.000 0.184 130 N C 1.684 177.206 175.510 0.021 0.000 1.021 130 N CA 1.723 54.787 53.050 0.024 0.000 0.854 130 N CB -0.510 37.994 38.487 0.028 0.000 0.994 130 N HN 0.372 nan 8.380 nan 0.000 0.426 131 T N 1.308 115.877 114.554 0.026 0.000 2.708 131 T HA -0.086 4.268 4.350 0.006 0.000 0.266 131 T C 2.029 176.693 174.700 -0.061 0.000 1.037 131 T CA 1.501 63.609 62.100 0.013 0.000 1.146 131 T CB -0.430 68.487 68.868 0.082 0.000 0.865 131 T HN 0.319 nan 8.240 nan 0.000 0.435 132 A N 1.367 124.119 122.820 -0.114 0.000 1.908 132 A HA -0.164 4.160 4.320 0.006 0.000 0.218 132 A C 2.578 180.118 177.584 -0.073 0.000 1.181 132 A CA 2.235 54.146 52.037 -0.209 0.000 0.627 132 A CB -1.338 17.596 19.000 -0.109 0.000 0.818 132 A HN 0.482 nan 8.150 nan 0.000 0.445 133 T N 0.075 114.658 114.554 0.048 0.000 2.737 133 T HA 0.023 4.376 4.350 0.006 0.000 0.265 133 T C 2.253 176.994 174.700 0.068 0.000 1.038 133 T CA 1.610 63.777 62.100 0.112 0.000 1.144 133 T CB -0.471 68.446 68.868 0.083 0.000 0.866 133 T HN 0.601 nan 8.240 nan 0.000 0.434 134 A N 0.301 123.138 122.820 0.028 0.000 1.972 134 A HA -0.092 4.231 4.320 0.006 0.000 0.219 134 A C 2.064 179.632 177.584 -0.028 0.000 1.169 134 A CA 1.479 53.520 52.037 0.007 0.000 0.635 134 A CB -0.979 18.028 19.000 0.011 0.000 0.810 134 A HN 0.608 nan 8.150 nan 0.000 0.446 135 Y N -0.599 119.571 120.300 -0.216 0.000 2.114 135 Y HA -0.228 4.326 4.550 0.006 0.000 0.284 135 Y C 1.916 177.630 175.900 -0.310 0.000 1.143 135 Y CA 2.176 60.072 58.100 -0.340 0.000 1.135 135 Y CB -0.417 37.722 38.460 -0.536 0.000 0.980 135 Y HN 0.281 nan 8.280 nan 0.000 0.499 136 F N 0.627 120.553 119.950 -0.040 0.000 2.293 136 F HA -0.158 4.372 4.527 0.006 0.000 0.300 136 F C 1.995 177.581 175.800 -0.357 0.000 1.086 136 F CA 1.138 58.977 58.000 -0.268 0.000 1.375 136 F CB -0.977 37.945 39.000 -0.131 0.000 1.045 136 F HN 0.148 nan 8.300 nan 0.000 0.516 137 N N 0.169 118.850 118.700 -0.030 0.000 2.188 137 N HA -0.126 4.617 4.740 0.006 0.000 0.184 137 N C 2.152 177.587 175.510 -0.125 0.000 1.018 137 N CA 1.121 54.133 53.050 -0.064 0.000 0.858 137 N CB -0.807 37.667 38.487 -0.022 0.000 0.989 137 N HN 0.097 nan 8.380 nan 0.000 0.426 138 V N 1.493 121.301 119.914 -0.178 0.000 2.295 138 V HA -0.167 3.956 4.120 0.006 0.000 0.246 138 V C 2.336 178.287 176.094 -0.239 0.000 1.049 138 V CA 1.232 63.409 62.300 -0.205 0.000 1.024 138 V CB -0.583 31.084 31.823 -0.260 0.000 0.648 138 V HN 0.252 nan 8.190 nan 0.000 0.447 139 L N -0.061 120.956 121.223 -0.344 0.000 2.046 139 L HA -0.228 4.115 4.340 0.006 0.000 0.208 139 L C 2.383 179.113 176.870 -0.233 0.000 1.077 139 L CA 2.255 56.904 54.840 -0.319 0.000 0.747 139 L CB -0.809 40.987 42.059 -0.437 0.000 0.896 139 L HN 0.432 nan 8.230 nan 0.000 0.432 140 N N -0.132 118.394 118.700 -0.291 0.000 2.104 140 N HA -0.178 4.565 4.740 0.006 0.000 0.190 140 N C 1.799 177.286 175.510 -0.039 0.000 1.024 140 N CA 1.318 54.306 53.050 -0.103 0.000 0.853 140 N CB -0.029 38.407 38.487 -0.085 0.000 1.008 140 N HN 0.312 nan 8.380 nan 0.000 0.424 141 A N 0.093 122.870 122.820 -0.072 0.000 2.015 141 A HA -0.048 4.276 4.320 0.006 0.000 0.219 141 A C 2.052 179.600 177.584 -0.060 0.000 1.163 141 A CA 0.856 52.861 52.037 -0.053 0.000 0.646 141 A CB -0.553 18.413 19.000 -0.057 0.000 0.806 141 A HN 0.362 nan 8.150 nan 0.000 0.448 142 I N -0.284 120.238 120.570 -0.081 0.000 2.233 142 I HA -0.190 3.984 4.170 0.006 0.000 0.243 142 I C 1.901 177.950 176.117 -0.115 0.000 1.093 142 I CA 1.311 62.555 61.300 -0.092 0.000 1.380 142 I CB -0.485 37.456 38.000 -0.099 0.000 1.067 142 I HN 0.165 nan 8.210 nan 0.000 0.413 143 D N 0.862 121.212 120.400 -0.083 0.000 2.092 143 D HA -0.161 4.482 4.640 0.006 0.000 0.193 143 D C 2.384 178.630 176.300 -0.091 0.000 0.994 143 D CA 1.238 55.159 54.000 -0.132 0.000 0.828 143 D CB -0.563 40.291 40.800 0.089 0.000 0.963 143 D HN 0.068 nan 8.370 nan 0.000 0.450 144 V N 0.789 120.719 119.914 0.027 0.000 2.278 144 V HA -0.255 3.868 4.120 0.006 0.000 0.251 144 V C 2.464 178.552 176.094 -0.010 0.000 1.062 144 V CA 1.532 63.863 62.300 0.052 0.000 1.038 144 V CB -0.531 31.308 31.823 0.026 0.000 0.646 144 V HN 0.166 nan 8.190 nan 0.000 0.447 145 L N 0.046 121.233 121.223 -0.060 0.000 2.056 145 L HA -0.113 4.230 4.340 0.006 0.000 0.207 145 L C 2.658 179.453 176.870 -0.125 0.000 1.078 145 L CA 2.424 57.216 54.840 -0.080 0.000 0.749 145 L CB -0.778 41.236 42.059 -0.075 0.000 0.901 145 L HN 0.363 nan 8.230 nan 0.000 0.433 146 S N -1.414 114.164 115.700 -0.204 0.000 2.359 146 S HA -0.250 4.224 4.470 0.006 0.000 0.224 146 S C 2.053 176.465 174.600 -0.314 0.000 1.035 146 S CA 1.695 59.715 58.200 -0.301 0.000 1.018 146 S CB -0.536 62.391 63.200 -0.455 0.000 0.876 146 S HN 0.573 nan 8.310 nan 0.000 0.448 147 Y N 1.926 122.133 120.300 -0.155 0.000 2.220 147 Y HA 0.033 4.587 4.550 0.006 0.000 0.291 147 Y C 3.060 178.749 175.900 -0.353 0.000 1.129 147 Y CA 1.348 59.276 58.100 -0.287 0.000 1.161 147 Y CB -1.390 36.951 38.460 -0.198 0.000 0.997 147 Y HN 0.261 nan 8.280 nan 0.000 0.522 148 T N -0.200 114.314 114.554 -0.066 0.000 2.720 148 T HA -0.281 4.072 4.350 0.006 0.000 0.268 148 T C 1.871 176.499 174.700 -0.120 0.000 1.037 148 T CA 1.758 63.803 62.100 -0.092 0.000 1.144 148 T CB -0.277 68.555 68.868 -0.059 0.000 0.864 148 T HN 0.381 nan 8.240 nan 0.000 0.444 149 Q N 0.461 120.189 119.800 -0.120 0.000 2.046 149 Q HA -0.010 4.333 4.340 0.006 0.000 0.200 149 Q C 2.554 178.491 176.000 -0.104 0.000 0.975 149 Q CA 1.292 57.034 55.803 -0.102 0.000 0.836 149 Q CB -0.300 28.382 28.738 -0.093 0.000 0.896 149 Q HN 0.545 nan 8.270 nan 0.000 0.428 150 A N 0.402 123.125 122.820 -0.162 0.000 2.019 150 A HA -0.210 4.113 4.320 0.006 0.000 0.219 150 A C 1.996 179.460 177.584 -0.200 0.000 1.164 150 A CA 1.303 53.243 52.037 -0.161 0.000 0.644 150 A CB -0.501 18.377 19.000 -0.202 0.000 0.805 150 A HN 0.419 nan 8.150 nan 0.000 0.449 151 Q N -0.248 119.352 119.800 -0.333 0.000 2.123 151 Q HA -0.150 4.194 4.340 0.006 0.000 0.199 151 Q C 2.112 178.122 176.000 0.018 0.000 0.966 151 Q CA 1.645 57.348 55.803 -0.167 0.000 0.845 151 Q CB -0.170 28.462 28.738 -0.177 0.000 0.907 151 Q HN 0.772 nan 8.270 nan 0.000 0.439 152 K N 0.341 120.739 120.400 -0.004 0.000 2.057 152 K HA -0.142 4.181 4.320 0.006 0.000 0.206 152 K C 1.634 178.347 176.600 0.189 0.000 1.050 152 K CA 1.199 57.526 56.287 0.067 0.000 0.935 152 K CB 0.212 32.703 32.500 -0.015 0.000 0.715 152 K HN 0.103 nan 8.250 nan 0.000 0.439 153 E N 0.362 120.640 120.200 0.129 0.000 2.153 153 E HA -0.172 4.182 4.350 0.006 0.000 0.194 153 E C 1.905 178.630 176.600 0.210 0.000 0.988 153 E CA 1.119 57.624 56.400 0.176 0.000 0.811 153 E CB -0.232 29.534 29.700 0.110 0.000 0.746 153 E HN 0.408 nan 8.360 nan 0.000 0.466 154 A N 1.652 124.581 122.820 0.182 0.000 1.898 154 A HA -0.108 4.215 4.320 0.006 0.000 0.216 154 A C 2.221 179.891 177.584 0.144 0.000 1.181 154 A CA 0.924 53.063 52.037 0.170 0.000 0.620 154 A CB -0.294 18.855 19.000 0.248 0.000 0.819 154 A HN 0.101 nan 8.150 nan 0.000 0.442 155 I N -1.607 119.076 120.570 0.189 0.000 2.286 155 I HA -0.179 3.994 4.170 0.006 0.000 0.245 155 I C 2.385 178.615 176.117 0.187 0.000 1.104 155 I CA 1.324 62.742 61.300 0.196 0.000 1.397 155 I CB -1.702 36.456 38.000 0.264 0.000 1.072 155 I HN 0.528 nan 8.210 nan 0.000 0.417 156 Y N 2.334 122.717 120.300 0.138 0.000 2.274 156 Y HA -0.225 4.328 4.550 0.006 0.000 0.290 156 Y C 2.907 178.785 175.900 -0.037 0.000 1.145 156 Y CA 1.769 59.848 58.100 -0.035 0.000 1.203 156 Y CB -0.354 38.124 38.460 0.030 0.000 0.984 156 Y HN 0.033 nan 8.280 nan 0.000 0.533 157 R N -0.174 120.337 120.500 0.019 0.000 2.103 157 R HA -0.215 4.128 4.340 0.006 0.000 0.242 157 R C 1.864 178.087 176.300 -0.128 0.000 1.142 157 R CA 2.073 58.139 56.100 -0.057 0.000 0.960 157 R CB -0.103 30.200 30.300 0.006 0.000 0.858 157 R HN 0.370 nan 8.270 nan 0.000 0.439 158 Q N 0.107 119.852 119.800 -0.092 0.000 2.354 158 Q HA -0.061 4.283 4.340 0.006 0.000 0.203 158 Q C 1.957 177.898 176.000 -0.098 0.000 0.933 158 Q CA 0.497 56.264 55.803 -0.060 0.000 0.901 158 Q CB -0.045 28.680 28.738 -0.021 0.000 1.007 158 Q HN 0.306 nan 8.270 nan 0.000 0.495 159 L N 1.167 122.272 121.223 -0.196 0.000 2.109 159 L HA -0.101 4.243 4.340 0.006 0.000 0.207 159 L C 1.767 178.448 176.870 -0.314 0.000 1.086 159 L CA 1.806 56.495 54.840 -0.252 0.000 0.760 159 L CB -0.381 41.468 42.059 -0.350 0.000 0.910 159 L HN -0.003 nan 8.230 nan 0.000 0.437 160 D N -0.857 119.253 120.400 -0.484 0.000 2.149 160 D HA -0.233 4.410 4.640 0.006 0.000 0.198 160 D C 2.112 178.308 176.300 -0.174 0.000 0.990 160 D CA 1.513 55.261 54.000 -0.420 0.000 0.839 160 D CB 0.079 40.568 40.800 -0.518 0.000 0.948 160 D HN 0.539 nan 8.370 nan 0.000 0.460 161 Q N -1.158 118.581 119.800 -0.102 0.000 2.163 161 Q HA -0.003 4.340 4.340 0.006 0.000 0.198 161 Q C 2.087 178.092 176.000 0.008 0.000 0.954 161 Q CA 1.290 57.089 55.803 -0.006 0.000 0.851 161 Q CB 0.192 28.983 28.738 0.088 0.000 0.928 161 Q HN 0.232 nan 8.270 nan 0.000 0.459 162 T N 0.387 114.937 114.554 -0.006 0.000 2.821 162 T HA -0.101 4.253 4.350 0.006 0.000 0.267 162 T C 1.858 176.578 174.700 0.035 0.000 1.046 162 T CA 1.651 63.761 62.100 0.016 0.000 1.139 162 T CB -0.285 68.580 68.868 -0.004 0.000 0.871 162 T HN 0.317 nan 8.240 nan 0.000 0.454 163 T N 2.184 116.732 114.554 -0.010 0.000 2.867 163 T HA -0.068 4.286 4.350 0.006 0.000 0.268 163 T C 2.068 176.812 174.700 0.073 0.000 1.057 163 T CA 0.869 62.983 62.100 0.023 0.000 1.136 163 T CB -0.190 68.655 68.868 -0.038 0.000 0.874 163 T HN 0.448 nan 8.240 nan 0.000 0.466 164 Q N 0.762 120.581 119.800 0.031 0.000 2.046 164 Q HA 0.030 4.373 4.340 0.006 0.000 0.200 164 Q C 2.545 178.572 176.000 0.044 0.000 0.975 164 Q CA 1.051 56.872 55.803 0.031 0.000 0.836 164 Q CB -0.117 28.625 28.738 0.008 0.000 0.896 164 Q HN 0.415 nan 8.270 nan 0.000 0.428 165 R N -0.553 119.978 120.500 0.051 0.000 2.237 165 R HA -0.102 4.241 4.340 0.006 0.000 0.219 165 R C 1.707 178.057 176.300 0.083 0.000 1.080 165 R CA 0.713 56.840 56.100 0.046 0.000 0.995 165 R CB -0.070 30.253 30.300 0.039 0.000 0.875 165 R HN 0.213 nan 8.270 nan 0.000 0.462 166 F N 1.385 121.321 119.950 -0.022 0.000 2.473 166 F HA 0.050 4.581 4.527 0.006 0.000 0.294 166 F C 1.598 177.388 175.800 -0.016 0.000 1.103 166 F CA 0.606 58.596 58.000 -0.018 0.000 1.442 166 F CB 0.104 39.094 39.000 -0.017 0.000 1.097 166 F HN -0.096 nan 8.300 nan 0.000 0.547 167 N N 0.267 118.976 118.700 0.015 0.000 2.104 167 N HA -0.172 4.571 4.740 0.006 0.000 0.190 167 N C 1.993 177.424 175.510 -0.133 0.000 1.024 167 N CA 1.595 54.614 53.050 -0.053 0.000 0.853 167 N CB -0.816 37.677 38.487 0.009 0.000 1.008 167 N HN 0.327 nan 8.380 nan 0.000 0.424 168 V N -0.209 119.640 119.914 -0.108 0.000 3.235 168 V HA 0.226 4.350 4.120 0.006 0.000 0.259 168 V C 0.678 176.676 176.094 -0.160 0.000 1.133 168 V CA 1.103 63.337 62.300 -0.110 0.000 1.128 168 V CB -0.633 31.151 31.823 -0.066 0.000 0.757 168 V HN 0.495 nan 8.190 nan 0.000 0.469 169 G N 0.376 109.040 108.800 -0.226 0.000 2.467 169 G HA2 -0.155 3.809 3.960 0.006 0.000 0.242 169 G HA3 -0.155 3.809 3.960 0.006 0.000 0.242 169 G C 0.172 174.990 174.900 -0.135 0.000 1.127 169 G CA 0.206 45.129 45.100 -0.295 0.000 0.924 169 G HN 0.311 nan 8.290 nan 0.000 0.499 170 L N -0.543 120.643 121.223 -0.061 0.000 2.554 170 L HA 0.331 4.675 4.340 0.006 0.000 0.225 170 L C 1.357 178.243 176.870 0.027 0.000 1.104 170 L CA 1.383 56.212 54.840 -0.018 0.000 0.866 170 L CB 0.133 42.181 42.059 -0.019 0.000 1.047 170 L HN 0.682 nan 8.230 nan 0.000 0.468 171 V N -3.849 116.119 119.914 0.090 0.000 3.040 171 V HA 0.847 4.971 4.120 0.006 0.000 0.312 171 V C 0.115 176.347 176.094 0.229 0.000 1.115 171 V CA -1.366 61.014 62.300 0.133 0.000 0.998 171 V CB 1.337 33.234 31.823 0.123 0.000 1.042 171 V HN -0.003 nan 8.190 nan 0.000 0.433 172 A N 1.550 124.461 122.820 0.153 0.000 2.425 172 A HA 0.541 4.865 4.320 0.006 0.000 0.249 172 A C 0.857 178.501 177.584 0.099 0.000 1.084 172 A CA -0.115 52.015 52.037 0.155 0.000 0.781 172 A CB 0.005 19.051 19.000 0.077 0.000 1.019 172 A HN 1.306 nan 8.150 nan 0.000 0.490 173 I N 2.651 123.247 120.570 0.043 0.000 2.761 173 I HA -0.212 3.961 4.170 0.006 0.000 0.266 173 I C 2.471 178.492 176.117 -0.161 0.000 1.239 173 I CA 2.350 63.475 61.300 -0.291 0.000 1.451 173 I CB -0.252 37.552 38.000 -0.327 0.000 1.096 173 I HN 0.850 nan 8.210 nan 0.000 0.465 174 T N -3.105 111.415 114.554 -0.056 0.000 2.867 174 T HA -0.153 4.200 4.350 0.006 0.000 0.268 174 T C 1.671 176.350 174.700 -0.035 0.000 1.057 174 T CA 1.493 63.572 62.100 -0.035 0.000 1.136 174 T CB -0.463 68.402 68.868 -0.005 0.000 0.874 174 T HN 0.293 nan 8.240 nan 0.000 0.466 175 D N 1.053 121.437 120.400 -0.027 0.000 2.183 175 D HA 0.018 4.661 4.640 0.006 0.000 0.203 175 D C 2.319 178.595 176.300 -0.041 0.000 0.969 175 D CA 0.575 54.566 54.000 -0.015 0.000 0.842 175 D CB -0.445 40.363 40.800 0.012 0.000 0.957 175 D HN 0.337 nan 8.370 nan 0.000 0.484 176 V N 1.471 121.328 119.914 -0.095 0.000 2.343 176 V HA -0.238 3.886 4.120 0.006 0.000 0.247 176 V C 2.410 178.453 176.094 -0.085 0.000 1.051 176 V CA 1.439 63.665 62.300 -0.124 0.000 1.036 176 V CB -0.394 31.280 31.823 -0.248 0.000 0.654 176 V HN 0.176 nan 8.190 nan 0.000 0.451 177 Q N 0.096 119.851 119.800 -0.076 0.000 2.119 177 Q HA -0.142 4.202 4.340 0.006 0.000 0.201 177 Q C 2.005 177.999 176.000 -0.009 0.000 0.972 177 Q CA 1.441 57.220 55.803 -0.041 0.000 0.847 177 Q CB -0.730 27.984 28.738 -0.041 0.000 0.903 177 Q HN 0.690 nan 8.270 nan 0.000 0.433 178 N N 1.093 119.789 118.700 -0.007 0.000 2.244 178 N HA -0.063 4.680 4.740 0.006 0.000 0.183 178 N C 1.491 177.016 175.510 0.025 0.000 1.016 178 N CA 1.274 54.331 53.050 0.012 0.000 0.866 178 N CB -0.182 38.311 38.487 0.011 0.000 0.980 178 N HN 0.299 nan 8.380 nan 0.000 0.430 179 A N 0.109 122.935 122.820 0.010 0.000 2.067 179 A HA 0.057 4.380 4.320 0.006 0.000 0.217 179 A C 2.138 179.747 177.584 0.041 0.000 1.156 179 A CA 0.999 53.044 52.037 0.015 0.000 0.683 179 A CB -0.121 18.863 19.000 -0.027 0.000 0.808 179 A HN 0.156 nan 8.150 nan 0.000 0.455 180 R N -0.499 120.026 120.500 0.041 0.000 2.121 180 R HA 0.336 4.679 4.340 0.006 0.000 0.206 180 R C 1.998 178.388 176.300 0.149 0.000 1.094 180 R CA 1.490 57.645 56.100 0.092 0.000 1.055 180 R CB -0.881 29.436 30.300 0.029 0.000 0.964 180 R HN 0.184 nan 8.270 nan 0.000 0.473 181 A N 0.471 123.340 122.820 0.081 0.000 2.067 181 A HA -0.125 4.199 4.320 0.006 0.000 0.219 181 A C 2.025 179.650 177.584 0.068 0.000 1.158 181 A CA 1.412 53.488 52.037 0.065 0.000 0.661 181 A CB -0.485 18.536 19.000 0.035 0.000 0.801 181 A HN 0.560 nan 8.150 nan 0.000 0.452 182 Q N -2.259 117.592 119.800 0.085 0.000 2.269 182 Q HA -0.096 4.247 4.340 0.006 0.000 0.201 182 Q C 1.769 177.834 176.000 0.108 0.000 0.946 182 Q CA 1.065 56.915 55.803 0.078 0.000 0.877 182 Q CB -0.153 28.629 28.738 0.073 0.000 0.963 182 Q HN 0.821 nan 8.270 nan 0.000 0.472 183 Y N 1.000 121.317 120.300 0.028 0.000 2.220 183 Y HA -0.155 4.398 4.550 0.006 0.000 0.291 183 Y C 1.425 177.345 175.900 0.034 0.000 1.129 183 Y CA 1.746 59.872 58.100 0.043 0.000 1.161 183 Y CB 0.016 38.516 38.460 0.067 0.000 0.997 183 Y HN 0.117 nan 8.280 nan 0.000 0.522 184 D N -0.498 119.906 120.400 0.007 0.000 2.178 184 D HA -0.139 4.504 4.640 0.006 0.000 0.201 184 D C 2.083 178.317 176.300 -0.109 0.000 0.980 184 D CA 1.754 55.700 54.000 -0.089 0.000 0.842 184 D CB -0.310 40.513 40.800 0.038 0.000 0.948 184 D HN 0.398 nan 8.370 nan 0.000 0.472 185 T N -0.041 114.477 114.554 -0.060 0.000 2.720 185 T HA -0.106 4.247 4.350 0.006 0.000 0.268 185 T C 2.185 176.832 174.700 -0.088 0.000 1.037 185 T CA 0.923 62.992 62.100 -0.052 0.000 1.144 185 T CB -0.300 68.558 68.868 -0.018 0.000 0.864 185 T HN 0.010 nan 8.240 nan 0.000 0.444 186 V N 1.349 121.187 119.914 -0.127 0.000 2.427 186 V HA -0.051 4.072 4.120 0.006 0.000 0.248 186 V C 2.480 178.456 176.094 -0.197 0.000 1.051 186 V CA 1.104 63.319 62.300 -0.142 0.000 1.048 186 V CB -0.735 31.013 31.823 -0.125 0.000 0.666 186 V HN 0.418 nan 8.190 nan 0.000 0.456 187 L N 0.050 121.089 121.223 -0.306 0.000 2.042 187 L HA -0.233 4.110 4.340 0.006 0.000 0.210 187 L C 2.706 179.489 176.870 -0.146 0.000 1.076 187 L CA 1.739 56.419 54.840 -0.266 0.000 0.749 187 L CB -0.649 41.224 42.059 -0.310 0.000 0.893 187 L HN 0.407 nan 8.230 nan 0.000 0.432 188 A N 1.284 124.034 122.820 -0.116 0.000 1.841 188 A HA -0.216 4.108 4.320 0.006 0.000 0.214 188 A C 1.606 179.152 177.584 -0.062 0.000 1.195 188 A CA 1.915 53.908 52.037 -0.073 0.000 0.611 188 A CB -0.850 18.117 19.000 -0.055 0.000 0.835 188 A HN 0.644 nan 8.150 nan 0.000 0.443 189 N N -0.072 118.591 118.700 -0.061 0.000 2.485 189 N HA 0.006 4.749 4.740 0.006 0.000 0.199 189 N C 0.921 176.399 175.510 -0.053 0.000 1.236 189 N CA 0.783 53.804 53.050 -0.048 0.000 0.852 189 N CB 0.009 38.474 38.487 -0.036 0.000 1.018 189 N HN 0.709 nan 8.380 nan 0.000 0.457 190 E N 0.118 120.277 120.200 -0.069 0.000 2.276 190 E HA 0.030 4.384 4.350 0.006 0.000 0.193 190 E C 1.125 177.692 176.600 -0.055 0.000 0.983 190 E CA 0.146 56.505 56.400 -0.068 0.000 0.861 190 E CB 0.224 29.872 29.700 -0.087 0.000 0.817 190 E HN 0.212 nan 8.360 nan 0.000 0.485 191 L N 1.098 122.289 121.223 -0.052 0.000 2.044 191 L HA -0.099 4.245 4.340 0.006 0.000 0.205 191 L C 2.738 179.589 176.870 -0.032 0.000 1.075 191 L CA 2.133 56.949 54.840 -0.041 0.000 0.747 191 L CB -1.542 40.494 42.059 -0.039 0.000 0.903 191 L HN 0.287 nan 8.230 nan 0.000 0.435 192 T N -3.185 111.351 114.554 -0.031 0.000 3.035 192 T HA 0.004 4.357 4.350 0.006 0.000 0.268 192 T C 1.815 176.501 174.700 -0.023 0.000 1.109 192 T CA 0.840 62.926 62.100 -0.023 0.000 1.119 192 T CB -0.143 68.713 68.868 -0.020 0.000 0.900 192 T HN 0.218 nan 8.240 nan 0.000 0.503 193 A N 1.634 124.436 122.820 -0.029 0.000 1.935 193 A HA 0.252 4.575 4.320 0.006 0.000 0.214 193 A C 2.432 179.997 177.584 -0.031 0.000 1.178 193 A CA 1.062 53.081 52.037 -0.029 0.000 0.640 193 A CB -0.528 18.451 19.000 -0.035 0.000 0.825 193 A HN 0.402 nan 8.150 nan 0.000 0.447 194 R N 0.675 121.156 120.500 -0.033 0.000 2.066 194 R HA -0.116 4.227 4.340 0.006 0.000 0.232 194 R C 1.925 178.213 176.300 -0.020 0.000 1.131 194 R CA 1.985 58.068 56.100 -0.029 0.000 0.955 194 R CB -0.761 29.521 30.300 -0.031 0.000 0.851 194 R HN 0.580 nan 8.270 nan 0.000 0.432 195 N N 0.055 118.744 118.700 -0.018 0.000 2.223 195 N HA -0.130 4.614 4.740 0.006 0.000 0.185 195 N C 1.146 176.650 175.510 -0.009 0.000 1.016 195 N CA 1.479 54.522 53.050 -0.012 0.000 0.863 195 N CB -0.246 38.233 38.487 -0.013 0.000 0.983 195 N HN 0.236 nan 8.380 nan 0.000 0.429 196 N N -0.112 118.580 118.700 -0.013 0.000 2.166 196 N HA -0.105 4.638 4.740 0.006 0.000 0.186 196 N C 1.368 176.869 175.510 -0.015 0.000 1.019 196 N CA 0.525 53.568 53.050 -0.013 0.000 0.856 196 N CB -0.342 38.136 38.487 -0.015 0.000 0.993 196 N HN 0.262 nan 8.380 nan 0.000 0.426 197 L N 0.936 122.147 121.223 -0.019 0.000 2.056 197 L HA -0.050 4.293 4.340 0.006 0.000 0.207 197 L C 1.443 178.310 176.870 -0.006 0.000 1.078 197 L CA 1.785 56.611 54.840 -0.024 0.000 0.749 197 L CB -0.641 41.400 42.059 -0.030 0.000 0.901 197 L HN 0.135 nan 8.230 nan 0.000 0.433 198 D N -0.511 119.894 120.400 0.008 0.000 2.117 198 D HA -0.163 4.480 4.640 0.006 0.000 0.197 198 D C 1.510 177.828 176.300 0.030 0.000 0.987 198 D CA 1.129 55.148 54.000 0.031 0.000 0.829 198 D CB 0.059 40.874 40.800 0.025 0.000 0.961 198 D HN 0.414 nan 8.370 nan 0.000 0.460 199 N N 0.600 119.309 118.700 0.014 0.000 2.396 199 N HA -0.041 4.703 4.740 0.006 0.000 0.180 199 N C 1.592 177.108 175.510 0.010 0.000 1.028 199 N CA 0.497 53.555 53.050 0.014 0.000 0.893 199 N CB -0.075 38.416 38.487 0.007 0.000 0.967 199 N HN 0.099 nan 8.380 nan 0.000 0.440 200 A N 0.276 123.096 122.820 -0.001 0.000 1.929 200 A HA -0.005 4.319 4.320 0.006 0.000 0.216 200 A C 2.313 179.889 177.584 -0.013 0.000 1.176 200 A CA 0.874 52.902 52.037 -0.016 0.000 0.628 200 A CB -0.512 18.465 19.000 -0.038 0.000 0.816 200 A HN 0.084 nan 8.150 nan 0.000 0.444 201 V N -0.180 119.735 119.914 0.002 0.000 2.626 201 V HA -0.165 3.959 4.120 0.006 0.000 0.252 201 V C 2.469 178.604 176.094 0.070 0.000 1.067 201 V CA 2.223 64.535 62.300 0.021 0.000 1.081 201 V CB -0.486 31.367 31.823 0.049 0.000 0.686 201 V HN 0.585 nan 8.190 nan 0.000 0.468 202 E N -0.478 119.762 120.200 0.066 0.000 2.112 202 E HA -0.120 4.234 4.350 0.006 0.000 0.190 202 E C 2.355 178.985 176.600 0.050 0.000 0.979 202 E CA 0.640 57.081 56.400 0.069 0.000 0.814 202 E CB -0.115 29.615 29.700 0.051 0.000 0.762 202 E HN 0.452 nan 8.360 nan 0.000 0.460 203 Q N 0.128 119.948 119.800 0.033 0.000 2.061 203 Q HA -0.160 4.184 4.340 0.006 0.000 0.204 203 Q C 2.131 178.150 176.000 0.033 0.000 0.984 203 Q CA 0.896 56.715 55.803 0.027 0.000 0.846 203 Q CB -0.583 28.164 28.738 0.015 0.000 0.902 203 Q HN 0.321 nan 8.270 nan 0.000 0.421 204 L N 1.046 122.287 121.223 0.029 0.000 2.042 204 L HA -0.199 4.144 4.340 0.006 0.000 0.210 204 L C 2.442 179.361 176.870 0.081 0.000 1.076 204 L CA 1.702 56.563 54.840 0.036 0.000 0.749 204 L CB -0.573 41.488 42.059 0.003 0.000 0.893 204 L HN 0.257 nan 8.230 nan 0.000 0.432 205 R N -0.166 120.394 120.500 0.100 0.000 2.091 205 R HA -0.262 4.082 4.340 0.006 0.000 0.238 205 R C 2.294 178.644 176.300 0.082 0.000 1.136 205 R CA 2.096 58.267 56.100 0.118 0.000 0.959 205 R CB -0.290 30.085 30.300 0.124 0.000 0.856 205 R HN 0.562 nan 8.270 nan 0.000 0.437 206 Q N 0.403 120.240 119.800 0.060 0.000 2.112 206 Q HA -0.181 4.162 4.340 0.006 0.000 0.206 206 Q C 2.047 178.071 176.000 0.040 0.000 0.987 206 Q CA 2.035 57.864 55.803 0.043 0.000 0.858 206 Q CB -0.098 28.661 28.738 0.034 0.000 0.905 206 Q HN 0.468 nan 8.270 nan 0.000 0.420 207 I N -0.571 120.025 120.570 0.044 0.000 2.233 207 I HA -0.204 3.970 4.170 0.006 0.000 0.243 207 I C 2.543 178.684 176.117 0.041 0.000 1.093 207 I CA 1.539 62.862 61.300 0.038 0.000 1.380 207 I CB -0.386 37.637 38.000 0.038 0.000 1.067 207 I HN 0.288 nan 8.210 nan 0.000 0.413 208 T N -0.817 113.779 114.554 0.070 0.000 2.978 208 T HA 0.091 4.444 4.350 0.006 0.000 0.262 208 T C 1.498 176.244 174.700 0.077 0.000 1.063 208 T CA 1.211 63.367 62.100 0.093 0.000 1.140 208 T CB -0.096 68.896 68.868 0.206 0.000 0.886 208 T HN 0.641 nan 8.240 nan 0.000 0.470 209 G N 1.190 110.032 108.800 0.069 0.000 2.176 209 G HA2 -0.200 3.764 3.960 0.006 0.000 0.253 209 G HA3 -0.200 3.764 3.960 0.006 0.000 0.253 209 G C -0.133 174.785 174.900 0.030 0.000 0.979 209 G CA 0.158 45.282 45.100 0.040 0.000 0.641 209 G HN 0.610 nan 8.290 nan 0.000 0.530 210 N N -0.636 118.092 118.700 0.047 0.000 2.269 210 N HA 0.544 5.288 4.740 0.006 0.000 0.304 210 N C -0.830 174.660 175.510 -0.034 0.000 1.072 210 N CA -0.683 52.322 53.050 -0.075 0.000 0.802 210 N CB 1.438 39.734 38.487 -0.317 0.000 1.348 210 N HN 0.252 nan 8.380 nan 0.000 0.484 211 Y N 1.216 121.404 120.300 -0.187 0.000 2.304 211 Y HA 0.345 4.898 4.550 0.006 0.000 0.328 211 Y C -1.082 174.658 175.900 -0.266 0.000 1.123 211 Y CA -0.190 57.843 58.100 -0.111 0.000 1.218 211 Y CB 0.441 38.856 38.460 -0.074 0.000 1.207 211 Y HN 0.442 nan 8.280 nan 0.000 0.495 212 Y N 7.932 127.782 120.300 -0.750 0.000 2.376 212 Y HA 0.304 4.857 4.550 0.006 0.000 0.326 212 Y C -1.752 173.675 175.900 -0.787 0.000 0.970 212 Y CA -2.345 55.428 58.100 -0.545 0.000 1.248 212 Y CB 1.382 39.678 38.460 -0.273 0.000 1.117 212 Y HN 0.549 nan 8.280 nan 0.000 0.476 213 P HA -0.046 nan 4.420 nan 0.000 0.233 213 P C -0.489 176.771 177.300 -0.068 0.000 1.167 213 P CA 0.974 63.974 63.100 -0.166 0.000 0.770 213 P CB 0.955 32.714 31.700 0.098 0.000 0.837 214 E N -0.959 119.220 120.200 -0.035 0.000 2.343 214 E HA 0.575 4.928 4.350 0.006 0.000 0.278 214 E C -1.410 175.188 176.600 -0.003 0.000 0.910 214 E CA -0.739 55.654 56.400 -0.011 0.000 0.757 214 E CB 1.876 31.586 29.700 0.017 0.000 1.218 214 E HN -0.158 nan 8.360 nan 0.000 0.435 215 L N 1.068 122.265 121.223 -0.043 0.000 2.393 215 L HA 0.631 4.974 4.340 0.006 0.000 0.260 215 L C -0.932 175.934 176.870 -0.005 0.000 1.002 215 L CA -0.563 54.239 54.840 -0.063 0.000 0.818 215 L CB 2.110 44.022 42.059 -0.244 0.000 1.369 215 L HN 0.669 nan 8.230 nan 0.000 0.412 216 A N 2.185 125.051 122.820 0.077 0.000 2.437 216 A HA 0.717 5.040 4.320 0.006 0.000 0.303 216 A C 0.233 177.910 177.584 0.155 0.000 1.324 216 A CA 0.003 52.111 52.037 0.118 0.000 0.983 216 A CB -0.394 18.691 19.000 0.142 0.000 1.142 216 A HN 0.748 nan 8.150 nan 0.000 0.541 217 A N 2.464 125.348 122.820 0.106 0.000 2.332 217 A HA 0.545 4.868 4.320 0.006 0.000 0.258 217 A C 0.308 178.012 177.584 0.200 0.000 1.087 217 A CA -0.500 51.627 52.037 0.150 0.000 0.802 217 A CB 0.109 19.163 19.000 0.090 0.000 1.042 217 A HN 1.287 nan 8.150 nan 0.000 0.489 218 L N 1.232 122.617 121.223 0.271 0.000 2.485 218 L HA 0.083 4.426 4.340 0.006 0.000 0.275 218 L C 0.302 177.209 176.870 0.063 0.000 1.207 218 L CA 0.440 55.392 54.840 0.187 0.000 0.855 218 L CB -0.010 42.088 42.059 0.065 0.000 1.114 218 L HN 0.730 nan 8.230 nan 0.000 0.485 219 N N 3.064 121.806 118.700 0.070 0.000 2.419 219 N HA 0.158 4.901 4.740 0.006 0.000 0.277 219 N C 0.713 176.206 175.510 -0.029 0.000 1.006 219 N CA -0.302 52.769 53.050 0.035 0.000 0.923 219 N CB 1.777 40.311 38.487 0.078 0.000 1.140 219 N HN 0.574 nan 8.380 nan 0.000 0.488 220 V N 2.327 122.194 119.914 -0.079 0.000 2.307 220 V HA -0.082 4.041 4.120 0.006 0.000 0.245 220 V C 1.410 177.478 176.094 -0.043 0.000 1.045 220 V CA 1.457 63.669 62.300 -0.147 0.000 1.024 220 V CB -0.349 31.404 31.823 -0.117 0.000 0.651 220 V HN 0.659 nan 8.190 nan 0.000 0.449 221 E N -0.141 120.068 120.200 0.014 0.000 2.322 221 E HA 0.087 4.441 4.350 0.006 0.000 0.257 221 E C 0.364 177.024 176.600 0.100 0.000 1.155 221 E CA -0.222 56.213 56.400 0.058 0.000 0.936 221 E CB 0.484 30.206 29.700 0.036 0.000 1.130 221 E HN 0.330 nan 8.360 nan 0.000 0.465 222 N N 0.283 119.044 118.700 0.101 0.000 2.780 222 N HA -0.235 4.508 4.740 0.006 0.000 0.248 222 N C -1.643 173.969 175.510 0.171 0.000 1.102 222 N CA 0.605 53.717 53.050 0.104 0.000 0.697 222 N CB -1.519 37.019 38.487 0.086 0.000 1.028 222 N HN 0.366 nan 8.380 nan 0.000 0.554 223 F N 1.148 121.089 119.950 -0.014 0.000 2.507 223 F HA 0.502 5.032 4.527 0.006 0.000 0.325 223 F C 0.457 176.231 175.800 -0.043 0.000 1.116 223 F CA -0.861 57.122 58.000 -0.028 0.000 0.930 223 F CB 0.912 39.877 39.000 -0.059 0.000 1.146 223 F HN -0.090 nan 8.300 nan 0.000 0.447 224 K N 2.554 122.504 120.400 -0.749 0.000 2.149 224 K HA 0.542 4.866 4.320 0.006 0.000 0.245 224 K C -0.368 175.760 176.600 -0.787 0.000 1.024 224 K CA -0.188 55.756 56.287 -0.573 0.000 0.899 224 K CB 0.385 32.682 32.500 -0.339 0.000 1.038 224 K HN 0.691 nan 8.250 nan 0.000 0.496 225 T N -0.632 113.677 114.554 -0.408 0.000 4.381 225 T HA 0.050 4.403 4.350 0.006 0.000 0.309 225 T C -1.252 173.373 174.700 -0.125 0.000 0.912 225 T CA -0.713 61.162 62.100 -0.375 0.000 0.976 225 T CB -0.156 68.541 68.868 -0.284 0.000 1.051 225 T HN 0.413 nan 8.240 nan 0.000 0.447 226 D N 2.610 122.994 120.400 -0.027 0.000 2.417 226 D HA 0.143 4.787 4.640 0.006 0.000 0.250 226 D C 0.358 176.688 176.300 0.051 0.000 1.166 226 D CA 0.081 54.089 54.000 0.012 0.000 0.881 226 D CB 1.092 41.899 40.800 0.012 0.000 1.164 226 D HN 0.277 nan 8.370 nan 0.000 0.467 227 K N 3.145 123.559 120.400 0.023 0.000 2.350 227 K HA 0.165 4.489 4.320 0.006 0.000 0.279 227 K C -2.004 174.620 176.600 0.040 0.000 1.027 227 K CA -1.165 55.134 56.287 0.021 0.000 0.969 227 K CB 0.486 32.993 32.500 0.012 0.000 0.954 227 K HN 0.250 nan 8.250 nan 0.000 0.474 228 P HA 0.021 nan 4.420 nan 0.000 0.274 228 P C -0.879 176.528 177.300 0.179 0.000 1.246 228 P CA -0.279 62.881 63.100 0.101 0.000 0.795 228 P CB 0.608 32.377 31.700 0.115 0.000 1.006 229 Q N 0.864 120.749 119.800 0.142 0.000 2.469 229 Q HA 0.059 4.403 4.340 0.006 0.000 0.279 229 Q C -1.863 174.220 176.000 0.138 0.000 1.097 229 Q CA -0.941 54.926 55.803 0.107 0.000 0.951 229 Q CB -0.942 27.827 28.738 0.052 0.000 1.297 229 Q HN 0.380 nan 8.270 nan 0.000 0.465 230 P HA -0.132 nan 4.420 nan 0.000 0.267 230 P C 0.420 177.560 177.300 -0.266 0.000 1.200 230 P CA 0.205 63.268 63.100 -0.062 0.000 0.772 230 P CB 0.505 32.175 31.700 -0.051 0.000 0.855 231 V N 2.938 122.460 119.914 -0.654 0.000 2.490 231 V HA -0.240 3.884 4.120 0.006 0.000 0.250 231 V C 1.726 177.607 176.094 -0.355 0.000 1.061 231 V CA 1.998 63.813 62.300 -0.808 0.000 1.064 231 V CB -0.811 30.305 31.823 -1.178 0.000 0.670 231 V HN 0.481 nan 8.190 nan 0.000 0.461 232 N N 0.426 118.982 118.700 -0.241 0.000 2.244 232 N HA -0.041 4.703 4.740 0.006 0.000 0.183 232 N C 1.817 177.269 175.510 -0.098 0.000 1.016 232 N CA 1.499 54.467 53.050 -0.137 0.000 0.866 232 N CB -0.308 38.121 38.487 -0.097 0.000 0.980 232 N HN 0.580 nan 8.380 nan 0.000 0.430 233 A N 0.990 123.754 122.820 -0.093 0.000 1.930 233 A HA 0.003 4.327 4.320 0.006 0.000 0.217 233 A C 2.358 179.910 177.584 -0.054 0.000 1.175 233 A CA 0.689 52.692 52.037 -0.057 0.000 0.627 233 A CB -0.548 18.429 19.000 -0.039 0.000 0.815 233 A HN 0.181 nan 8.150 nan 0.000 0.443 234 L N -0.938 120.238 121.223 -0.078 0.000 2.093 234 L HA -0.128 4.216 4.340 0.006 0.000 0.208 234 L C 2.519 179.353 176.870 -0.059 0.000 1.085 234 L CA 0.857 55.662 54.840 -0.058 0.000 0.755 234 L CB -0.377 41.648 42.059 -0.058 0.000 0.904 234 L HN 0.365 nan 8.230 nan 0.000 0.435 235 L N -0.318 120.857 121.223 -0.080 0.000 2.093 235 L HA -0.228 4.115 4.340 0.006 0.000 0.208 235 L C 2.651 179.497 176.870 -0.041 0.000 1.085 235 L CA 1.334 56.133 54.840 -0.068 0.000 0.755 235 L CB -0.257 41.757 42.059 -0.074 0.000 0.904 235 L HN 0.194 nan 8.230 nan 0.000 0.435 236 K N -0.443 119.937 120.400 -0.034 0.000 2.155 236 K HA -0.215 4.109 4.320 0.006 0.000 0.203 236 K C 2.012 178.605 176.600 -0.011 0.000 1.052 236 K CA 1.183 57.461 56.287 -0.016 0.000 0.948 236 K CB 0.216 32.706 32.500 -0.017 0.000 0.728 236 K HN 0.055 nan 8.250 nan 0.000 0.448 237 E N 0.227 120.417 120.200 -0.017 0.000 2.112 237 E HA 0.004 4.358 4.350 0.006 0.000 0.190 237 E C 1.545 178.138 176.600 -0.011 0.000 0.979 237 E CA 1.105 57.498 56.400 -0.011 0.000 0.814 237 E CB -0.034 29.659 29.700 -0.012 0.000 0.762 237 E HN 0.340 nan 8.360 nan 0.000 0.460 238 A N 0.585 123.392 122.820 -0.021 0.000 1.972 238 A HA -0.192 4.132 4.320 0.006 0.000 0.219 238 A C 2.103 179.676 177.584 -0.019 0.000 1.169 238 A CA 1.777 53.798 52.037 -0.026 0.000 0.635 238 A CB -0.640 18.334 19.000 -0.044 0.000 0.810 238 A HN 0.285 nan 8.150 nan 0.000 0.446 239 E N 0.749 120.944 120.200 -0.010 0.000 2.171 239 E HA -0.210 4.143 4.350 0.006 0.000 0.197 239 E C 1.712 178.329 176.600 0.029 0.000 0.997 239 E CA 1.890 58.303 56.400 0.022 0.000 0.810 239 E CB -0.108 29.616 29.700 0.041 0.000 0.738 239 E HN 0.780 nan 8.360 nan 0.000 0.467 240 K N -1.874 118.537 120.400 0.017 0.000 2.413 240 K HA 0.255 4.579 4.320 0.006 0.000 0.204 240 K C 1.068 177.677 176.600 0.015 0.000 1.041 240 K CA -0.306 55.993 56.287 0.019 0.000 1.082 240 K CB 0.833 33.343 32.500 0.017 0.000 0.871 240 K HN -0.110 nan 8.250 nan 0.000 0.535 241 R N 0.541 121.046 120.500 0.009 0.000 2.568 241 R HA 0.111 4.455 4.340 0.006 0.000 0.254 241 R C -0.059 176.243 176.300 0.004 0.000 0.925 241 R CA -0.173 55.931 56.100 0.007 0.000 1.025 241 R CB 0.234 30.535 30.300 0.002 0.000 1.428 241 R HN 0.200 nan 8.270 nan 0.000 0.573 242 N N 2.613 121.312 118.700 -0.001 0.000 2.438 242 N HA -0.017 4.726 4.740 0.006 0.000 0.267 242 N C 1.023 176.535 175.510 0.004 0.000 1.222 242 N CA 0.111 53.158 53.050 -0.005 0.000 0.930 242 N CB 0.846 39.322 38.487 -0.017 0.000 1.083 242 N HN 0.091 nan 8.380 nan 0.000 0.476 243 L N 2.847 124.072 121.223 0.004 0.000 2.191 243 L HA -0.166 4.177 4.340 0.006 0.000 0.212 243 L C 2.358 179.237 176.870 0.015 0.000 1.103 243 L CA 0.697 55.544 54.840 0.013 0.000 0.769 243 L CB -0.282 41.783 42.059 0.010 0.000 0.908 243 L HN 0.525 nan 8.230 nan 0.000 0.438 244 S N 0.889 116.594 115.700 0.008 0.000 2.348 244 S HA -0.142 4.331 4.470 0.006 0.000 0.221 244 S C 1.807 176.417 174.600 0.016 0.000 1.033 244 S CA 1.666 59.872 58.200 0.010 0.000 1.010 244 S CB -0.345 62.856 63.200 0.002 0.000 0.891 244 S HN 0.403 nan 8.310 nan 0.000 0.442 245 L N 0.686 121.920 121.223 0.018 0.000 2.291 245 L HA 0.278 4.621 4.340 0.006 0.000 0.214 245 L C 1.945 178.835 176.870 0.034 0.000 1.120 245 L CA 1.036 55.895 54.840 0.033 0.000 0.799 245 L CB -1.114 40.977 42.059 0.053 0.000 0.925 245 L HN 0.153 nan 8.230 nan 0.000 0.446 246 L N -0.601 120.640 121.223 0.029 0.000 2.083 246 L HA -0.219 4.124 4.340 0.006 0.000 0.209 246 L C 2.843 179.733 176.870 0.033 0.000 1.083 246 L CA 1.493 56.352 54.840 0.032 0.000 0.752 246 L CB -0.126 41.952 42.059 0.032 0.000 0.899 246 L HN 0.536 nan 8.230 nan 0.000 0.433 247 Q N -0.861 118.958 119.800 0.031 0.000 2.083 247 Q HA -0.182 4.161 4.340 0.006 0.000 0.198 247 Q C 2.172 178.188 176.000 0.025 0.000 0.969 247 Q CA 1.505 57.327 55.803 0.031 0.000 0.838 247 Q CB -0.117 28.639 28.738 0.031 0.000 0.900 247 Q HN 0.614 nan 8.270 nan 0.000 0.436 248 A N 0.769 123.603 122.820 0.022 0.000 1.933 248 A HA -0.178 4.145 4.320 0.006 0.000 0.218 248 A C 2.024 179.614 177.584 0.010 0.000 1.175 248 A CA 1.319 53.364 52.037 0.013 0.000 0.628 248 A CB -0.433 18.576 19.000 0.015 0.000 0.814 248 A HN 0.322 nan 8.150 nan 0.000 0.444 249 R N -0.570 119.943 120.500 0.021 0.000 2.073 249 R HA -0.064 4.280 4.340 0.006 0.000 0.234 249 R C 2.018 178.337 176.300 0.032 0.000 1.134 249 R CA 1.575 57.689 56.100 0.024 0.000 0.952 249 R CB -0.512 29.807 30.300 0.031 0.000 0.850 249 R HN 0.546 nan 8.270 nan 0.000 0.433 250 L N 0.036 121.279 121.223 0.033 0.000 2.093 250 L HA -0.118 4.225 4.340 0.006 0.000 0.208 250 L C 2.389 179.280 176.870 0.035 0.000 1.085 250 L CA 0.943 55.804 54.840 0.036 0.000 0.755 250 L CB -0.410 41.669 42.059 0.033 0.000 0.904 250 L HN 0.111 nan 8.230 nan 0.000 0.435 251 S N -0.332 115.384 115.700 0.027 0.000 2.353 251 S HA -0.299 4.175 4.470 0.006 0.000 0.222 251 S C 1.954 176.574 174.600 0.034 0.000 1.035 251 S CA 1.604 59.818 58.200 0.024 0.000 1.025 251 S CB -0.330 62.877 63.200 0.012 0.000 0.902 251 S HN 0.451 nan 8.310 nan 0.000 0.440 252 Q N 0.843 120.654 119.800 0.018 0.000 2.084 252 Q HA -0.225 4.119 4.340 0.006 0.000 0.202 252 Q C 1.863 177.960 176.000 0.162 0.000 0.978 252 Q CA 1.806 57.622 55.803 0.022 0.000 0.844 252 Q CB -0.259 28.440 28.738 -0.065 0.000 0.898 252 Q HN 0.474 nan 8.270 nan 0.000 0.426 253 D N 0.085 120.556 120.400 0.120 0.000 2.116 253 D HA -0.219 4.425 4.640 0.006 0.000 0.193 253 D C 1.904 178.268 176.300 0.106 0.000 0.998 253 D CA 1.255 55.326 54.000 0.118 0.000 0.836 253 D CB -0.240 40.603 40.800 0.072 0.000 0.951 253 D HN 0.310 nan 8.370 nan 0.000 0.449 254 L N 0.346 121.619 121.223 0.082 0.000 2.017 254 L HA -0.028 4.315 4.340 0.006 0.000 0.208 254 L C 2.268 179.195 176.870 0.094 0.000 1.073 254 L CA 2.278 57.158 54.840 0.067 0.000 0.745 254 L CB -0.981 41.104 42.059 0.044 0.000 0.894 254 L HN 0.083 nan 8.230 nan 0.000 0.432 255 A N -0.204 122.700 122.820 0.140 0.000 1.908 255 A HA -0.296 4.027 4.320 0.006 0.000 0.218 255 A C 2.527 180.249 177.584 0.229 0.000 1.181 255 A CA 2.047 54.203 52.037 0.199 0.000 0.627 255 A CB -0.741 18.402 19.000 0.239 0.000 0.818 255 A HN 0.573 nan 8.150 nan 0.000 0.445 256 R N -0.491 120.159 120.500 0.251 0.000 2.073 256 R HA -0.199 4.144 4.340 0.006 0.000 0.234 256 R C 2.087 178.378 176.300 -0.016 0.000 1.134 256 R CA 1.885 57.981 56.100 -0.006 0.000 0.952 256 R CB -0.313 29.948 30.300 -0.065 0.000 0.850 256 R HN 0.432 nan 8.270 nan 0.000 0.433 257 E N 0.694 120.910 120.200 0.027 0.000 2.209 257 E HA -0.211 4.142 4.350 0.006 0.000 0.196 257 E C 1.780 178.392 176.600 0.019 0.000 0.993 257 E CA 1.665 58.076 56.400 0.018 0.000 0.819 257 E CB 0.037 29.754 29.700 0.029 0.000 0.745 257 E HN 0.526 nan 8.360 nan 0.000 0.477 258 Q N -0.596 119.223 119.800 0.032 0.000 2.245 258 Q HA -0.002 4.341 4.340 0.006 0.000 0.201 258 Q C 2.171 178.182 176.000 0.018 0.000 0.955 258 Q CA 0.941 56.762 55.803 0.030 0.000 0.870 258 Q CB 0.057 28.822 28.738 0.044 0.000 0.945 258 Q HN 0.404 nan 8.270 nan 0.000 0.461 259 I N 0.507 121.078 120.570 0.003 0.000 2.133 259 I HA -0.271 3.902 4.170 0.006 0.000 0.238 259 I C 2.236 178.343 176.117 -0.016 0.000 1.074 259 I CA 1.244 62.533 61.300 -0.019 0.000 1.342 259 I CB -0.359 37.593 38.000 -0.080 0.000 1.053 259 I HN 0.129 nan 8.210 nan 0.000 0.404 260 R N 0.461 120.948 120.500 -0.022 0.000 2.139 260 R HA -0.238 4.105 4.340 0.006 0.000 0.243 260 R C 2.340 178.647 176.300 0.012 0.000 1.145 260 R CA 1.402 57.498 56.100 -0.006 0.000 0.976 260 R CB -0.348 29.947 30.300 -0.009 0.000 0.866 260 R HN 0.487 nan 8.270 nan 0.000 0.449 261 Q N 0.110 119.918 119.800 0.012 0.000 2.119 261 Q HA -0.121 4.222 4.340 0.006 0.000 0.201 261 Q C 1.920 177.920 176.000 -0.000 0.000 0.972 261 Q CA 1.507 57.318 55.803 0.014 0.000 0.847 261 Q CB 0.002 28.749 28.738 0.015 0.000 0.903 261 Q HN 0.398 nan 8.270 nan 0.000 0.433 262 A N 0.473 123.291 122.820 -0.002 0.000 1.968 262 A HA -0.173 4.151 4.320 0.006 0.000 0.217 262 A C 1.786 179.352 177.584 -0.030 0.000 1.169 262 A CA 1.212 53.239 52.037 -0.016 0.000 0.638 262 A CB -0.273 18.727 19.000 0.001 0.000 0.812 262 A HN 0.501 nan 8.150 nan 0.000 0.446 263 Q N -0.241 119.565 119.800 0.010 0.000 2.435 263 Q HA -0.065 4.278 4.340 0.006 0.000 0.207 263 Q C 0.628 176.661 176.000 0.055 0.000 0.956 263 Q CA 0.788 56.630 55.803 0.064 0.000 0.917 263 Q CB 0.025 28.810 28.738 0.077 0.000 0.997 263 Q HN 0.537 nan 8.270 nan 0.000 0.497 264 D N 0.227 120.634 120.400 0.012 0.000 2.348 264 D HA -0.058 4.585 4.640 0.006 0.000 0.216 264 D C 1.655 177.940 176.300 -0.025 0.000 0.970 264 D CA 0.753 54.766 54.000 0.022 0.000 0.889 264 D CB -0.047 40.772 40.800 0.032 0.000 0.912 264 D HN 0.379 nan 8.370 nan 0.000 0.524 265 G N -0.469 108.250 108.800 -0.134 0.000 2.776 265 G HA2 -0.172 3.791 3.960 0.006 0.000 0.209 265 G HA3 -0.172 3.791 3.960 0.006 0.000 0.209 265 G C 1.202 175.941 174.900 -0.269 0.000 1.145 265 G CA 0.272 45.239 45.100 -0.222 0.000 0.791 265 G HN 0.379 nan 8.290 nan 0.000 0.530 266 H N -0.634 118.448 119.070 0.020 0.000 2.654 266 H HA 0.268 4.827 4.556 0.006 0.000 0.264 266 H C 0.888 176.234 175.328 0.031 0.000 0.954 266 H CA -0.166 55.898 56.048 0.027 0.000 1.199 266 H CB 0.558 30.341 29.762 0.035 0.000 1.446 266 H HN 0.224 nan 8.280 nan 0.000 0.516 267 L N 3.025 124.324 121.223 0.126 0.000 2.399 267 L HA 0.242 4.585 4.340 0.006 0.000 0.266 267 L C -1.772 175.145 176.870 0.078 0.000 1.114 267 L CA -1.925 52.985 54.840 0.117 0.000 0.804 267 L CB 0.423 42.556 42.059 0.124 0.000 1.146 267 L HN -0.042 nan 8.230 nan 0.000 0.451 268 P HA 0.135 nan 4.420 nan 0.000 0.272 268 P C -0.874 176.449 177.300 0.039 0.000 1.223 268 P CA -0.278 62.813 63.100 -0.015 0.000 0.784 268 P CB 0.897 32.703 31.700 0.176 0.000 0.923 269 T N -0.544 113.800 114.554 -0.349 0.000 2.893 269 T HA 0.663 5.017 4.350 0.006 0.000 0.291 269 T C -0.901 173.347 174.700 -0.752 0.000 1.028 269 T CA -0.833 60.984 62.100 -0.471 0.000 0.995 269 T CB 1.381 70.083 68.868 -0.276 0.000 1.051 269 T HN 0.289 nan 8.240 nan 0.000 0.470 270 L N 1.530 122.148 121.223 -1.008 0.000 2.408 270 L HA 0.726 5.069 4.340 0.006 0.000 0.268 270 L C -1.718 174.944 176.870 -0.347 0.000 0.986 270 L CA -0.276 54.188 54.840 -0.627 0.000 0.820 270 L CB 2.057 43.682 42.059 -0.724 0.000 1.303 270 L HN 0.772 nan 8.230 nan 0.000 0.411 271 D N 4.397 124.693 120.400 -0.174 0.000 2.757 271 D HA 0.336 4.980 4.640 0.006 0.000 0.249 271 D C -1.154 175.116 176.300 -0.050 0.000 1.168 271 D CA -0.294 53.643 54.000 -0.105 0.000 0.870 271 D CB 2.743 43.484 40.800 -0.099 0.000 1.411 271 D HN 0.386 nan 8.370 nan 0.000 0.525 272 L N 2.315 123.520 121.223 -0.030 0.000 2.326 272 L HA 0.517 4.861 4.340 0.006 0.000 0.278 272 L C -0.178 176.683 176.870 -0.014 0.000 1.092 272 L CA 0.200 55.035 54.840 -0.009 0.000 0.810 272 L CB 1.054 43.116 42.059 0.006 0.000 1.153 272 L HN 0.444 nan 8.230 nan 0.000 0.439 273 T N 2.919 117.468 114.554 -0.008 0.000 3.078 273 T HA 0.834 5.187 4.350 0.006 0.000 0.328 273 T C -0.490 174.208 174.700 -0.003 0.000 0.987 273 T CA -0.165 61.929 62.100 -0.010 0.000 1.049 273 T CB 0.707 69.567 68.868 -0.014 0.000 1.011 273 T HN 0.915 nan 8.240 nan 0.000 0.463 274 A N 2.789 125.607 122.820 -0.002 0.000 2.311 274 A HA 1.004 5.328 4.320 0.006 0.000 0.334 274 A C 0.254 177.837 177.584 -0.001 0.000 1.139 274 A CA -0.696 51.342 52.037 0.001 0.000 0.830 274 A CB 1.222 20.224 19.000 0.003 0.000 1.234 274 A HN 1.850 nan 8.150 nan 0.000 0.483 275 S N -0.290 115.410 115.700 0.001 0.000 2.537 275 S HA 0.693 5.166 4.470 0.006 0.000 0.271 275 S C -0.738 173.863 174.600 0.002 0.000 1.148 275 S CA -0.242 57.959 58.200 0.001 0.000 0.868 275 S CB 1.506 64.706 63.200 -0.000 0.000 1.115 275 S HN 1.326 nan 8.310 nan 0.000 0.461 276 T N 0.651 115.206 114.554 0.002 0.000 2.863 276 T HA 0.867 5.221 4.350 0.006 0.000 0.285 276 T C -0.007 174.695 174.700 0.004 0.000 1.009 276 T CA 0.268 62.370 62.100 0.003 0.000 0.989 276 T CB 1.026 69.895 68.868 0.003 0.000 1.004 276 T HN 1.707 nan 8.240 nan 0.000 0.455 277 G N 2.528 111.331 108.800 0.005 0.000 2.523 277 G HA2 0.622 4.585 3.960 0.006 0.000 0.291 277 G HA3 0.622 4.585 3.960 0.006 0.000 0.291 277 G C -1.622 173.283 174.900 0.007 0.000 1.450 277 G CA -0.577 44.527 45.100 0.006 0.000 0.790 277 G HN 1.081 nan 8.290 nan 0.000 0.496 278 I N -2.148 118.427 120.570 0.008 0.000 2.969 278 I HA 0.936 5.109 4.170 0.006 0.000 0.307 278 I C -0.431 175.693 176.117 0.011 0.000 1.149 278 I CA -1.098 60.207 61.300 0.009 0.000 1.008 278 I CB 2.408 40.413 38.000 0.009 0.000 1.232 278 I HN 0.713 nan 8.210 nan 0.000 0.435 279 S N 1.603 117.310 115.700 0.012 0.000 2.579 279 S HA 0.648 5.121 4.470 0.006 0.000 0.272 279 S C -2.125 172.481 174.600 0.010 0.000 1.141 279 S CA -0.398 57.810 58.200 0.012 0.000 0.843 279 S CB 1.871 65.078 63.200 0.011 0.000 1.122 279 S HN 0.918 nan 8.310 nan 0.000 0.468 280 D N 1.694 122.097 120.400 0.006 0.000 2.738 280 D HA 0.370 5.013 4.640 0.006 0.000 0.218 280 D C -1.018 175.264 176.300 -0.030 0.000 1.345 280 D CA -0.030 53.968 54.000 -0.003 0.000 0.943 280 D CB 1.754 42.557 40.800 0.006 0.000 1.514 280 D HN 0.663 nan 8.370 nan 0.000 0.585 281 T N 0.040 114.551 114.554 -0.072 0.000 2.888 281 T HA 0.848 5.202 4.350 0.006 0.000 0.284 281 T C -0.124 174.409 174.700 -0.278 0.000 1.017 281 T CA -0.691 61.289 62.100 -0.199 0.000 1.022 281 T CB 1.744 70.460 68.868 -0.252 0.000 1.013 281 T HN 0.098 nan 8.240 nan 0.000 0.465 282 S N 0.618 116.078 115.700 -0.400 0.000 2.540 282 S HA 0.544 5.017 4.470 0.006 0.000 0.275 282 S C -1.777 172.567 174.600 -0.426 0.000 1.123 282 S CA -0.777 57.238 58.200 -0.308 0.000 0.907 282 S CB 0.858 64.005 63.200 -0.088 0.000 1.081 282 S HN 0.681 nan 8.310 nan 0.000 0.476 283 Y N 2.021 122.344 120.300 0.039 0.000 2.575 283 Y HA 0.389 4.942 4.550 0.006 0.000 0.326 283 Y C 1.065 176.970 175.900 0.009 0.000 0.979 283 Y CA -0.709 57.395 58.100 0.006 0.000 1.286 283 Y CB 0.714 39.175 38.460 0.002 0.000 1.093 283 Y HN 0.700 nan 8.280 nan 0.000 0.501 284 S N 1.368 117.142 115.700 0.123 0.000 2.481 284 S HA 0.855 5.329 4.470 0.006 0.000 0.267 284 S C 0.551 175.194 174.600 0.072 0.000 1.174 284 S CA -0.161 58.095 58.200 0.094 0.000 1.027 284 S CB 0.641 63.896 63.200 0.092 0.000 1.117 284 S HN 1.445 nan 8.310 nan 0.000 0.495 285 G N -0.204 108.630 108.800 0.056 0.000 2.879 285 G HA2 -0.065 3.898 3.960 0.006 0.000 0.686 285 G HA3 -0.065 3.898 3.960 0.006 0.000 0.686 285 G C 0.398 175.313 174.900 0.024 0.000 1.115 285 G CA 0.012 45.131 45.100 0.032 0.000 0.770 285 G HN 1.661 nan 8.290 nan 0.000 0.601 286 S N 0.675 116.387 115.700 0.020 0.000 2.442 286 S HA -0.022 4.452 4.470 0.006 0.000 0.236 286 S C 1.800 176.407 174.600 0.012 0.000 1.007 286 S CA 1.492 59.703 58.200 0.018 0.000 0.965 286 S CB 0.083 63.294 63.200 0.018 0.000 0.773 286 S HN 0.619 nan 8.310 nan 0.000 0.504 287 K N 1.392 121.792 120.400 0.001 0.000 2.459 287 K HA 0.076 4.399 4.320 0.006 0.000 0.193 287 K C 1.945 178.543 176.600 -0.005 0.000 1.030 287 K CA 1.157 57.441 56.287 -0.005 0.000 1.026 287 K CB -0.241 32.249 32.500 -0.018 0.000 0.809 287 K HN 0.767 nan 8.250 nan 0.000 0.504 288 T N -1.059 113.494 114.554 -0.001 0.000 2.898 288 T HA 0.105 4.459 4.350 0.006 0.000 0.241 288 T C 0.986 175.711 174.700 0.040 0.000 1.024 288 T CA -0.089 62.023 62.100 0.020 0.000 1.174 288 T CB -0.039 68.846 68.868 0.029 0.000 0.873 288 T HN -0.099 nan 8.240 nan 0.000 0.422 289 R N 2.880 123.405 120.500 0.042 0.000 2.612 289 R HA 0.576 4.919 4.340 0.006 0.000 0.273 289 R C 0.623 176.940 176.300 0.029 0.000 1.376 289 R CA -0.040 56.084 56.100 0.039 0.000 1.171 289 R CB -0.065 30.259 30.300 0.041 0.000 1.151 289 R HN 0.645 nan 8.270 nan 0.000 0.560 290 G N 0.340 109.156 108.800 0.026 0.000 3.244 290 G HA2 0.624 4.587 3.960 0.006 0.000 0.197 290 G HA3 0.624 4.587 3.960 0.006 0.000 0.197 290 G C -1.150 173.762 174.900 0.020 0.000 1.531 290 G CA 0.216 45.328 45.100 0.021 0.000 0.747 290 G HN 0.526 nan 8.290 nan 0.000 0.763 291 A N -1.404 121.427 122.820 0.017 0.000 2.485 291 A HA 0.825 5.149 4.320 0.006 0.000 0.285 291 A C -0.113 177.480 177.584 0.014 0.000 1.045 291 A CA 0.727 52.773 52.037 0.016 0.000 0.792 291 A CB 1.057 20.065 19.000 0.014 0.000 1.307 291 A HN 1.745 nan 8.150 nan 0.000 0.406 292 A N 1.386 124.215 122.820 0.015 0.000 2.017 292 A HA 0.889 5.212 4.320 0.006 0.000 0.194 292 A C 1.057 178.647 177.584 0.009 0.000 1.985 292 A CA 0.302 52.346 52.037 0.012 0.000 1.584 292 A CB -0.242 18.767 19.000 0.014 0.000 1.244 292 A HN 2.608 nan 8.150 nan 0.000 0.587 293 G N -0.598 108.206 108.800 0.008 0.000 2.263 293 G HA2 0.148 4.111 3.960 0.006 0.000 0.207 293 G HA3 0.148 4.111 3.960 0.006 0.000 0.207 293 G C 0.047 174.953 174.900 0.010 0.000 1.072 293 G CA 0.515 45.620 45.100 0.008 0.000 0.800 293 G HN 1.260 nan 8.290 nan 0.000 0.491 294 T N 0.007 114.564 114.554 0.005 0.000 2.855 294 T HA 0.465 4.818 4.350 0.006 0.000 0.290 294 T C 1.154 175.848 174.700 -0.011 0.000 0.941 294 T CA 1.001 63.105 62.100 0.008 0.000 1.030 294 T CB 1.095 69.968 68.868 0.009 0.000 0.935 294 T HN 0.561 nan 8.240 nan 0.000 0.564 295 Q N 5.078 124.873 119.800 -0.008 0.000 2.619 295 Q HA 0.234 4.577 4.340 0.006 0.000 0.230 295 Q C -0.733 175.173 176.000 -0.156 0.000 0.871 295 Q CA 0.541 56.301 55.803 -0.072 0.000 0.934 295 Q CB 0.079 28.788 28.738 -0.049 0.000 1.183 295 Q HN 0.734 nan 8.270 nan 0.000 0.631 296 Y N 2.305 122.530 120.300 -0.124 0.000 2.383 296 Y HA 0.379 4.932 4.550 0.006 0.000 0.344 296 Y C -0.708 175.121 175.900 -0.119 0.000 0.986 296 Y CA -0.314 57.647 58.100 -0.231 0.000 1.175 296 Y CB 0.909 39.132 38.460 -0.394 0.000 1.152 296 Y HN 0.140 nan 8.280 nan 0.000 0.511 297 D N 2.974 123.404 120.400 0.050 0.000 2.527 297 D HA 0.163 4.807 4.640 0.006 0.000 0.233 297 D C -1.164 175.328 176.300 0.320 0.000 1.063 297 D CA -0.575 53.521 54.000 0.159 0.000 0.880 297 D CB 1.993 42.836 40.800 0.072 0.000 1.457 297 D HN 0.541 nan 8.370 nan 0.000 0.475 298 D N -0.773 119.812 120.400 0.308 0.000 2.193 298 D HA 0.349 4.993 4.640 0.006 0.000 0.249 298 D C -0.499 175.879 176.300 0.130 0.000 1.034 298 D CA -0.498 53.654 54.000 0.254 0.000 0.902 298 D CB 1.694 42.571 40.800 0.128 0.000 1.182 298 D HN 0.222 nan 8.370 nan 0.000 0.436 299 S N 0.648 116.404 115.700 0.094 0.000 2.526 299 S HA 0.331 4.804 4.470 0.006 0.000 0.293 299 S C -0.560 174.060 174.600 0.032 0.000 1.092 299 S CA -1.098 57.138 58.200 0.059 0.000 0.980 299 S CB 1.697 64.934 63.200 0.062 0.000 1.048 299 S HN 0.527 nan 8.310 nan 0.000 0.483 300 N N 3.022 121.738 118.700 0.026 0.000 2.817 300 N HA 0.295 5.038 4.740 0.006 0.000 0.234 300 N C -0.974 174.547 175.510 0.017 0.000 1.066 300 N CA -0.179 52.881 53.050 0.018 0.000 0.926 300 N CB 0.329 38.825 38.487 0.015 0.000 1.176 300 N HN 0.691 nan 8.380 nan 0.000 0.506 301 M N 1.012 120.622 119.600 0.017 0.000 2.314 301 M HA 0.398 4.882 4.480 0.006 0.000 0.342 301 M C 0.694 177.001 176.300 0.012 0.000 1.171 301 M CA -0.610 54.699 55.300 0.015 0.000 1.098 301 M CB 1.786 34.396 32.600 0.017 0.000 1.559 301 M HN 0.364 nan 8.290 nan 0.000 0.459 302 G N 1.908 110.714 108.800 0.011 0.000 2.687 302 G HA2 0.639 4.602 3.960 0.006 0.000 0.301 302 G HA3 0.639 4.602 3.960 0.006 0.000 0.301 302 G C -1.479 173.426 174.900 0.008 0.000 1.416 302 G CA -0.466 44.639 45.100 0.009 0.000 1.005 302 G HN 0.499 nan 8.290 nan 0.000 0.509 303 Q N 1.105 120.910 119.800 0.007 0.000 2.372 303 Q HA 0.414 4.757 4.340 0.006 0.000 0.273 303 Q C -1.076 174.928 176.000 0.006 0.000 1.078 303 Q CA -0.914 54.893 55.803 0.007 0.000 0.806 303 Q CB 2.773 31.515 28.738 0.007 0.000 1.332 303 Q HN 0.536 nan 8.270 nan 0.000 0.435 304 N N 1.821 120.524 118.700 0.006 0.000 2.443 304 N HA 0.369 5.112 4.740 0.006 0.000 0.269 304 N C -1.004 174.509 175.510 0.005 0.000 0.985 304 N CA -0.313 52.740 53.050 0.005 0.000 0.921 304 N CB 1.620 40.110 38.487 0.005 0.000 1.195 304 N HN 0.251 nan 8.380 nan 0.000 0.492 305 K N 0.865 121.268 120.400 0.005 0.000 2.397 305 K HA 0.558 4.881 4.320 0.006 0.000 0.253 305 K C -1.212 175.391 176.600 0.005 0.000 0.932 305 K CA -0.782 55.508 56.287 0.005 0.000 0.795 305 K CB 3.026 35.528 32.500 0.004 0.000 1.159 305 K HN 0.129 nan 8.250 nan 0.000 0.424 306 V N 1.478 121.396 119.914 0.006 0.000 2.656 306 V HA 0.888 5.011 4.120 0.006 0.000 0.307 306 V C -0.902 175.197 176.094 0.008 0.000 1.051 306 V CA -0.174 62.130 62.300 0.007 0.000 0.893 306 V CB 1.748 33.577 31.823 0.009 0.000 0.999 306 V HN 0.907 nan 8.190 nan 0.000 0.426 307 G N 5.308 114.112 108.800 0.008 0.000 2.720 307 G HA2 0.644 4.608 3.960 0.006 0.000 0.295 307 G HA3 0.644 4.608 3.960 0.006 0.000 0.295 307 G C -2.188 172.719 174.900 0.011 0.000 1.437 307 G CA -0.678 44.427 45.100 0.010 0.000 0.886 307 G HN 0.819 nan 8.290 nan 0.000 0.509 308 L N 0.615 121.849 121.223 0.017 0.000 2.354 308 L HA 0.812 5.156 4.340 0.006 0.000 0.269 308 L C 0.100 176.989 176.870 0.032 0.000 1.005 308 L CA -0.947 53.907 54.840 0.022 0.000 0.819 308 L CB 2.507 44.587 42.059 0.035 0.000 1.311 308 L HN 0.531 nan 8.230 nan 0.000 0.423 309 S N 1.914 117.630 115.700 0.027 0.000 2.733 309 S HA 0.549 5.022 4.470 0.006 0.000 0.294 309 S C -1.305 173.327 174.600 0.053 0.000 1.149 309 S CA -0.439 57.784 58.200 0.039 0.000 1.034 309 S CB 0.623 63.823 63.200 -0.001 0.000 1.015 309 S HN 0.361 nan 8.310 nan 0.000 0.486 310 F N 3.921 123.837 119.950 -0.056 0.000 2.421 310 F HA 0.754 5.284 4.527 0.005 0.000 0.337 310 F C -0.102 175.676 175.800 -0.037 0.000 1.105 310 F CA -0.092 57.873 58.000 -0.059 0.000 1.049 310 F CB 1.752 40.746 39.000 -0.010 0.000 1.139 310 F HN 0.471 nan 8.300 nan 0.000 0.479 311 S N 5.713 120.942 115.700 -0.786 0.000 2.614 311 S HA 0.661 5.134 4.470 0.006 0.000 0.288 311 S C -1.876 172.338 174.600 -0.643 0.000 1.137 311 S CA -0.530 57.360 58.200 -0.516 0.000 0.992 311 S CB 1.584 64.613 63.200 -0.285 0.000 1.026 311 S HN 0.662 nan 8.310 nan 0.000 0.486 312 L N 5.981 127.007 121.223 -0.329 0.000 2.446 312 L HA 0.621 4.965 4.340 0.006 0.000 0.268 312 L C -2.542 174.313 176.870 -0.026 0.000 0.975 312 L CA -1.414 53.336 54.840 -0.151 0.000 0.848 312 L CB 1.335 43.391 42.059 -0.004 0.000 1.225 312 L HN 0.348 nan 8.230 nan 0.000 0.410 313 P HA 0.211 nan 4.420 nan 0.000 0.271 313 P C 0.314 177.669 177.300 0.093 0.000 1.220 313 P CA -0.311 62.808 63.100 0.031 0.000 0.768 313 P CB 1.199 32.907 31.700 0.014 0.000 0.848 314 I N 1.164 121.801 120.570 0.111 0.000 2.810 314 I HA 0.092 4.266 4.170 0.006 0.000 0.262 314 I C 0.450 176.711 176.117 0.241 0.000 1.131 314 I CA 0.904 62.292 61.300 0.147 0.000 1.453 314 I CB -0.912 37.161 38.000 0.122 0.000 1.161 314 I HN 0.334 nan 8.210 nan 0.000 0.444 315 Y N 1.761 122.094 120.300 0.055 0.000 2.376 315 Y HA 0.360 4.913 4.550 0.006 0.000 0.321 315 Y C -0.744 175.180 175.900 0.040 0.000 1.189 315 Y CA -1.102 57.032 58.100 0.057 0.000 1.069 315 Y CB 1.011 39.496 38.460 0.042 0.000 1.292 315 Y HN 0.055 nan 8.280 nan 0.000 0.430 316 Q N 4.510 124.069 119.800 -0.401 0.000 2.263 316 Q HA 0.354 4.697 4.340 0.006 0.000 0.337 316 Q C 0.812 176.467 176.000 -0.575 0.000 0.906 316 Q CA 0.065 55.634 55.803 -0.389 0.000 1.124 316 Q CB 1.138 29.765 28.738 -0.184 0.000 1.255 316 Q HN 1.117 nan 8.270 nan 0.000 0.435 317 G N 0.570 108.641 108.800 -1.215 0.000 2.273 317 G HA2 -0.268 3.696 3.960 0.006 0.000 0.280 317 G HA3 -0.268 3.696 3.960 0.006 0.000 0.280 317 G C 0.740 175.422 174.900 -0.362 0.000 1.047 317 G CA 0.389 45.022 45.100 -0.778 0.000 0.869 317 G HN 0.834 nan 8.290 nan 0.000 0.502 318 G N -1.143 107.472 108.800 -0.309 0.000 2.168 318 G HA2 -0.321 3.642 3.960 0.006 0.000 0.257 318 G HA3 -0.321 3.642 3.960 0.006 0.000 0.257 318 G C 1.105 176.010 174.900 0.009 0.000 0.997 318 G CA 1.499 46.636 45.100 0.061 0.000 0.708 318 G HN 1.448 nan 8.290 nan 0.000 0.520 319 M N -0.227 119.331 119.600 -0.069 0.000 2.098 319 M HA -0.017 4.466 4.480 0.006 0.000 0.262 319 M C 2.510 178.793 176.300 -0.028 0.000 1.072 319 M CA 2.431 57.700 55.300 -0.053 0.000 1.133 319 M CB -0.167 32.379 32.600 -0.090 0.000 1.344 319 M HN 0.193 nan 8.290 nan 0.000 0.414 320 V N 1.933 121.820 119.914 -0.045 0.000 2.295 320 V HA -0.297 3.827 4.120 0.006 0.000 0.246 320 V C 1.826 177.941 176.094 0.035 0.000 1.049 320 V CA 2.363 64.612 62.300 -0.084 0.000 1.024 320 V CB -1.631 29.983 31.823 -0.347 0.000 0.648 320 V HN 0.531 nan 8.190 nan 0.000 0.447 321 N N 0.340 119.123 118.700 0.139 0.000 2.104 321 N HA -0.175 4.568 4.740 0.006 0.000 0.190 321 N C 2.050 177.619 175.510 0.099 0.000 1.024 321 N CA 1.677 54.818 53.050 0.151 0.000 0.853 321 N CB -0.580 38.003 38.487 0.159 0.000 1.008 321 N HN 0.408 nan 8.380 nan 0.000 0.424 322 S N 0.384 116.131 115.700 0.079 0.000 2.368 322 S HA -0.158 4.315 4.470 0.006 0.000 0.225 322 S C 1.821 176.461 174.600 0.067 0.000 1.030 322 S CA 1.181 59.424 58.200 0.072 0.000 0.999 322 S CB -0.195 63.035 63.200 0.050 0.000 0.844 322 S HN 0.320 nan 8.310 nan 0.000 0.459 323 Q N -0.115 119.710 119.800 0.041 0.000 2.124 323 Q HA -0.081 4.263 4.340 0.006 0.000 0.202 323 Q C 2.222 178.249 176.000 0.044 0.000 0.977 323 Q CA 1.739 57.561 55.803 0.031 0.000 0.850 323 Q CB -0.173 28.563 28.738 -0.003 0.000 0.901 323 Q HN 0.461 nan 8.270 nan 0.000 0.429 324 V N 1.017 120.960 119.914 0.049 0.000 2.307 324 V HA -0.243 3.880 4.120 0.006 0.000 0.245 324 V C 1.968 178.091 176.094 0.047 0.000 1.045 324 V CA 1.721 64.049 62.300 0.047 0.000 1.024 324 V CB -0.408 31.454 31.823 0.064 0.000 0.651 324 V HN 0.285 nan 8.190 nan 0.000 0.449 325 K N -0.274 120.167 120.400 0.068 0.000 2.147 325 K HA -0.205 4.118 4.320 0.006 0.000 0.205 325 K C 2.266 178.983 176.600 0.195 0.000 1.049 325 K CA 1.368 57.703 56.287 0.080 0.000 0.936 325 K CB -0.183 32.393 32.500 0.127 0.000 0.722 325 K HN 0.542 nan 8.250 nan 0.000 0.446 326 Q N 0.275 120.187 119.800 0.187 0.000 2.020 326 Q HA -0.131 4.213 4.340 0.006 0.000 0.202 326 Q C 2.227 178.333 176.000 0.177 0.000 0.982 326 Q CA 1.576 57.502 55.803 0.204 0.000 0.838 326 Q CB -0.195 28.612 28.738 0.114 0.000 0.899 326 Q HN 0.346 nan 8.270 nan 0.000 0.423 327 A N 0.816 123.702 122.820 0.109 0.000 1.972 327 A HA -0.261 4.062 4.320 0.006 0.000 0.219 327 A C 1.936 179.583 177.584 0.105 0.000 1.169 327 A CA 1.514 53.607 52.037 0.093 0.000 0.635 327 A CB -0.439 18.594 19.000 0.054 0.000 0.810 327 A HN 0.367 nan 8.150 nan 0.000 0.446 328 Q N -1.719 118.111 119.800 0.050 0.000 2.046 328 Q HA -0.186 4.158 4.340 0.006 0.000 0.200 328 Q C 1.911 177.932 176.000 0.036 0.000 0.975 328 Q CA 1.787 57.584 55.803 -0.009 0.000 0.836 328 Q CB -0.335 28.315 28.738 -0.147 0.000 0.896 328 Q HN 0.816 nan 8.270 nan 0.000 0.428 329 Y N 1.007 121.365 120.300 0.096 0.000 2.224 329 Y HA -0.219 4.334 4.550 0.006 0.000 0.289 329 Y C 2.172 178.122 175.900 0.083 0.000 1.146 329 Y CA 1.179 59.328 58.100 0.082 0.000 1.182 329 Y CB -0.443 38.048 38.460 0.052 0.000 0.983 329 Y HN 0.263 nan 8.280 nan 0.000 0.524 330 N N -0.255 118.588 118.700 0.238 0.000 2.166 330 N HA -0.245 4.498 4.740 0.006 0.000 0.186 330 N C 1.931 177.531 175.510 0.151 0.000 1.019 330 N CA 1.121 54.267 53.050 0.160 0.000 0.856 330 N CB -0.386 38.180 38.487 0.132 0.000 0.993 330 N HN 0.357 nan 8.380 nan 0.000 0.426 331 F N 1.721 121.695 119.950 0.040 0.000 2.186 331 F HA -0.089 4.442 4.527 0.006 0.000 0.299 331 F C 2.105 177.918 175.800 0.021 0.000 1.090 331 F CA 0.807 58.818 58.000 0.019 0.000 1.307 331 F CB -0.260 38.740 39.000 -0.001 0.000 1.019 331 F HN -0.171 nan 8.300 nan 0.000 0.489 332 V N 0.440 120.388 119.914 0.057 0.000 2.407 332 V HA -0.241 3.882 4.120 0.006 0.000 0.248 332 V C 2.773 178.821 176.094 -0.077 0.000 1.055 332 V CA 1.866 64.150 62.300 -0.027 0.000 1.049 332 V CB -1.692 30.187 31.823 0.093 0.000 0.662 332 V HN 0.534 nan 8.190 nan 0.000 0.455 333 G N -0.194 108.595 108.800 -0.019 0.000 2.446 333 G HA2 -0.235 3.728 3.960 0.006 0.000 0.217 333 G HA3 -0.235 3.728 3.960 0.006 0.000 0.217 333 G C 1.770 176.620 174.900 -0.083 0.000 1.168 333 G CA 1.095 46.180 45.100 -0.026 0.000 0.771 333 G HN 0.614 nan 8.290 nan 0.000 0.551 334 A N 0.606 123.345 122.820 -0.134 0.000 1.933 334 A HA 0.044 4.368 4.320 0.006 0.000 0.218 334 A C 2.711 180.146 177.584 -0.249 0.000 1.175 334 A CA 2.205 54.141 52.037 -0.168 0.000 0.628 334 A CB -0.541 18.360 19.000 -0.164 0.000 0.814 334 A HN 0.323 nan 8.150 nan 0.000 0.444 335 S N -0.015 115.440 115.700 -0.408 0.000 2.348 335 S HA -0.147 4.327 4.470 0.006 0.000 0.221 335 S C 1.862 176.356 174.600 -0.177 0.000 1.033 335 S CA 1.374 59.356 58.200 -0.362 0.000 1.010 335 S CB -0.328 62.613 63.200 -0.432 0.000 0.891 335 S HN 0.597 nan 8.310 nan 0.000 0.442 336 E N 1.196 121.319 120.200 -0.130 0.000 2.204 336 E HA -0.113 4.240 4.350 0.006 0.000 0.195 336 E C 2.042 178.614 176.600 -0.048 0.000 0.990 336 E CA 0.791 57.151 56.400 -0.067 0.000 0.821 336 E CB -0.238 29.438 29.700 -0.040 0.000 0.750 336 E HN 0.597 nan 8.360 nan 0.000 0.477 337 Q N -0.111 119.655 119.800 -0.057 0.000 2.311 337 Q HA -0.045 4.299 4.340 0.006 0.000 0.203 337 Q C 2.081 178.067 176.000 -0.023 0.000 0.954 337 Q CA 0.113 55.897 55.803 -0.032 0.000 0.885 337 Q CB 0.082 28.802 28.738 -0.029 0.000 0.963 337 Q HN 0.098 nan 8.270 nan 0.000 0.471 338 L N 1.086 122.281 121.223 -0.045 0.000 2.056 338 L HA -0.177 4.166 4.340 0.006 0.000 0.207 338 L C 2.073 178.951 176.870 0.013 0.000 1.078 338 L CA 1.950 56.777 54.840 -0.022 0.000 0.749 338 L CB -0.379 41.647 42.059 -0.055 0.000 0.901 338 L HN 0.087 nan 8.230 nan 0.000 0.433 339 E N -0.669 119.524 120.200 -0.012 0.000 2.051 339 E HA -0.171 4.183 4.350 0.006 0.000 0.192 339 E C 2.191 178.826 176.600 0.058 0.000 0.991 339 E CA 1.704 58.111 56.400 0.012 0.000 0.799 339 E CB -0.287 29.401 29.700 -0.020 0.000 0.748 339 E HN 0.513 nan 8.360 nan 0.000 0.449 340 S N 0.046 115.764 115.700 0.028 0.000 2.359 340 S HA -0.202 4.271 4.470 0.006 0.000 0.224 340 S C 2.022 176.645 174.600 0.037 0.000 1.035 340 S CA 1.177 59.394 58.200 0.028 0.000 1.018 340 S CB -0.591 62.616 63.200 0.011 0.000 0.876 340 S HN 0.520 nan 8.310 nan 0.000 0.448 341 A N 0.913 123.756 122.820 0.039 0.000 1.902 341 A HA -0.185 4.139 4.320 0.006 0.000 0.217 341 A C 1.872 179.484 177.584 0.047 0.000 1.181 341 A CA 2.145 54.204 52.037 0.035 0.000 0.623 341 A CB -1.006 18.014 19.000 0.033 0.000 0.818 341 A HN 0.660 nan 8.150 nan 0.000 0.443 342 H N -0.423 118.641 119.070 -0.011 0.000 2.321 342 H HA -0.041 4.518 4.556 0.006 0.000 0.300 342 H C 2.282 177.605 175.328 -0.008 0.000 1.087 342 H CA 1.999 58.041 56.048 -0.010 0.000 1.319 342 H CB -0.066 29.689 29.762 -0.012 0.000 1.379 342 H HN 0.380 nan 8.280 nan 0.000 0.501 343 R N -0.398 120.157 120.500 0.091 0.000 2.127 343 R HA -0.132 4.212 4.340 0.006 0.000 0.238 343 R C 2.637 178.920 176.300 -0.030 0.000 1.134 343 R CA 1.174 57.295 56.100 0.036 0.000 0.975 343 R CB -0.371 29.964 30.300 0.060 0.000 0.865 343 R HN 0.281 nan 8.270 nan 0.000 0.447 344 S N 0.295 115.980 115.700 -0.027 0.000 2.355 344 S HA -0.097 4.377 4.470 0.006 0.000 0.222 344 S C 2.064 176.628 174.600 -0.059 0.000 1.031 344 S CA 1.146 59.328 58.200 -0.030 0.000 0.993 344 S CB -0.092 63.099 63.200 -0.015 0.000 0.859 344 S HN 0.092 nan 8.310 nan 0.000 0.453 345 V N 1.692 121.545 119.914 -0.101 0.000 2.231 345 V HA -0.188 3.935 4.120 0.006 0.000 0.248 345 V C 2.482 178.494 176.094 -0.137 0.000 1.054 345 V CA 2.099 64.323 62.300 -0.128 0.000 1.015 345 V CB -0.963 30.747 31.823 -0.188 0.000 0.638 345 V HN 0.425 nan 8.190 nan 0.000 0.444 346 V N -0.274 119.520 119.914 -0.201 0.000 2.278 346 V HA -0.351 3.772 4.120 0.006 0.000 0.251 346 V C 2.548 178.602 176.094 -0.067 0.000 1.062 346 V CA 2.451 64.666 62.300 -0.142 0.000 1.038 346 V CB -0.746 30.999 31.823 -0.129 0.000 0.646 346 V HN 0.585 nan 8.190 nan 0.000 0.447 347 Q N -0.451 119.320 119.800 -0.049 0.000 2.170 347 Q HA -0.178 4.166 4.340 0.006 0.000 0.203 347 Q C 2.232 178.225 176.000 -0.010 0.000 0.976 347 Q CA 2.250 58.042 55.803 -0.018 0.000 0.858 347 Q CB -0.242 28.490 28.738 -0.010 0.000 0.907 347 Q HN 0.725 nan 8.270 nan 0.000 0.433 348 T N 0.767 115.308 114.554 -0.022 0.000 2.732 348 T HA -0.097 4.256 4.350 0.006 0.000 0.261 348 T C 1.969 176.670 174.700 0.003 0.000 1.040 348 T CA 1.851 63.945 62.100 -0.010 0.000 1.145 348 T CB -0.490 68.367 68.868 -0.018 0.000 0.866 348 T HN 0.358 nan 8.240 nan 0.000 0.427 349 V N 0.927 120.835 119.914 -0.011 0.000 2.407 349 V HA -0.124 3.999 4.120 0.006 0.000 0.248 349 V C 2.316 178.441 176.094 0.051 0.000 1.055 349 V CA 1.469 63.774 62.300 0.008 0.000 1.049 349 V CB -0.830 30.977 31.823 -0.028 0.000 0.662 349 V HN 0.298 nan 8.190 nan 0.000 0.455 350 R N 0.356 120.874 120.500 0.030 0.000 2.090 350 R HA -0.004 4.340 4.340 0.006 0.000 0.228 350 R C 2.664 179.033 176.300 0.115 0.000 1.110 350 R CA 1.453 57.594 56.100 0.068 0.000 0.973 350 R CB -0.423 29.890 30.300 0.022 0.000 0.869 350 R HN 0.567 nan 8.270 nan 0.000 0.440 351 S N 0.159 115.899 115.700 0.068 0.000 2.387 351 S HA -0.047 4.427 4.470 0.006 0.000 0.226 351 S C 1.889 176.525 174.600 0.060 0.000 1.026 351 S CA 1.091 59.326 58.200 0.058 0.000 0.972 351 S CB 0.100 63.319 63.200 0.033 0.000 0.814 351 S HN 0.244 nan 8.310 nan 0.000 0.477 352 S N 0.777 116.516 115.700 0.066 0.000 2.414 352 S HA 0.073 4.546 4.470 0.006 0.000 0.227 352 S C 1.442 176.086 174.600 0.074 0.000 1.022 352 S CA 0.448 58.677 58.200 0.049 0.000 0.958 352 S CB -0.281 62.940 63.200 0.034 0.000 0.797 352 S HN 0.583 nan 8.310 nan 0.000 0.493 353 F N 3.539 123.478 119.950 -0.018 0.000 2.113 353 F HA -0.086 4.444 4.527 0.006 0.000 0.297 353 F C 1.916 177.715 175.800 -0.001 0.000 1.103 353 F CA 1.254 59.247 58.000 -0.012 0.000 1.248 353 F CB -0.493 38.500 39.000 -0.012 0.000 0.999 353 F HN 0.092 nan 8.300 nan 0.000 0.475 354 N N 0.943 119.690 118.700 0.078 0.000 2.149 354 N HA -0.198 4.545 4.740 0.006 0.000 0.188 354 N C 1.393 176.858 175.510 -0.076 0.000 1.019 354 N CA 1.447 54.488 53.050 -0.016 0.000 0.857 354 N CB -0.674 37.852 38.487 0.065 0.000 0.997 354 N HN 0.353 nan 8.380 nan 0.000 0.426 355 N N 0.676 119.349 118.700 -0.045 0.000 2.250 355 N HA 0.070 4.814 4.740 0.006 0.000 0.181 355 N C 1.848 177.330 175.510 -0.047 0.000 1.017 355 N CA 0.341 53.372 53.050 -0.031 0.000 0.866 355 N CB -0.171 38.311 38.487 -0.008 0.000 0.985 355 N HN 0.293 nan 8.380 nan 0.000 0.429 356 I N 1.001 121.512 120.570 -0.098 0.000 2.286 356 I HA -0.220 3.954 4.170 0.006 0.000 0.248 356 I C 1.258 177.337 176.117 -0.063 0.000 1.115 356 I CA 0.905 62.157 61.300 -0.080 0.000 1.392 356 I CB -0.185 37.728 38.000 -0.144 0.000 1.065 356 I HN 0.092 nan 8.210 nan 0.000 0.418 357 N N 1.050 119.626 118.700 -0.206 0.000 2.331 357 N HA -0.051 4.692 4.740 0.006 0.000 0.180 357 N C 1.834 177.290 175.510 -0.090 0.000 1.019 357 N CA 1.273 54.208 53.050 -0.192 0.000 0.881 357 N CB -0.235 38.044 38.487 -0.346 0.000 0.972 357 N HN 0.321 nan 8.380 nan 0.000 0.435 358 A N 0.375 123.158 122.820 -0.062 0.000 1.898 358 A HA -0.048 4.275 4.320 0.006 0.000 0.216 358 A C 2.428 180.022 177.584 0.016 0.000 1.181 358 A CA 1.513 53.538 52.037 -0.020 0.000 0.620 358 A CB -0.634 18.363 19.000 -0.005 0.000 0.819 358 A HN 0.232 nan 8.150 nan 0.000 0.442 359 S N 0.368 116.101 115.700 0.054 0.000 2.353 359 S HA -0.208 4.266 4.470 0.006 0.000 0.222 359 S C 1.945 176.596 174.600 0.085 0.000 1.035 359 S CA 1.718 59.992 58.200 0.123 0.000 1.025 359 S CB -0.840 62.515 63.200 0.259 0.000 0.902 359 S HN 0.759 nan 8.310 nan 0.000 0.440 360 I N 0.422 121.028 120.570 0.059 0.000 2.127 360 I HA -0.159 4.015 4.170 0.006 0.000 0.241 360 I C 2.266 178.364 176.117 -0.031 0.000 1.075 360 I CA 1.660 62.944 61.300 -0.025 0.000 1.334 360 I CB -0.884 37.095 38.000 -0.035 0.000 1.040 360 I HN 0.065 nan 8.210 nan 0.000 0.405 361 S N 0.904 116.585 115.700 -0.032 0.000 2.353 361 S HA -0.203 4.271 4.470 0.006 0.000 0.222 361 S C 2.213 176.776 174.600 -0.062 0.000 1.035 361 S CA 1.939 60.110 58.200 -0.049 0.000 1.025 361 S CB -0.458 62.711 63.200 -0.052 0.000 0.902 361 S HN 0.585 nan 8.310 nan 0.000 0.440 362 S N 1.221 116.901 115.700 -0.034 0.000 2.365 362 S HA -0.118 4.356 4.470 0.006 0.000 0.225 362 S C 1.772 176.400 174.600 0.046 0.000 1.039 362 S CA 1.404 59.593 58.200 -0.019 0.000 1.033 362 S CB -0.513 62.747 63.200 0.101 0.000 0.887 362 S HN 0.403 nan 8.310 nan 0.000 0.447 363 I N 1.833 122.438 120.570 0.058 0.000 2.127 363 I HA -0.241 3.933 4.170 0.006 0.000 0.241 363 I C 2.075 178.204 176.117 0.020 0.000 1.075 363 I CA 1.142 62.474 61.300 0.055 0.000 1.334 363 I CB -0.470 37.536 38.000 0.009 0.000 1.040 363 I HN 0.238 nan 8.210 nan 0.000 0.405 364 N N 0.902 119.589 118.700 -0.023 0.000 2.223 364 N HA -0.105 4.638 4.740 0.006 0.000 0.185 364 N C 1.786 177.257 175.510 -0.064 0.000 1.016 364 N CA 1.433 54.460 53.050 -0.038 0.000 0.863 364 N CB -0.357 38.103 38.487 -0.046 0.000 0.983 364 N HN 0.389 nan 8.380 nan 0.000 0.429 365 A N 0.053 122.800 122.820 -0.123 0.000 1.873 365 A HA -0.104 4.220 4.320 0.006 0.000 0.215 365 A C 1.745 179.204 177.584 -0.208 0.000 1.186 365 A CA 0.997 52.902 52.037 -0.219 0.000 0.616 365 A CB -0.814 17.961 19.000 -0.375 0.000 0.823 365 A HN 0.249 nan 8.150 nan 0.000 0.442 366 Y N -0.143 120.128 120.300 -0.048 0.000 2.373 366 Y HA -0.021 4.533 4.550 0.006 0.000 0.293 366 Y C 2.271 178.132 175.900 -0.065 0.000 1.129 366 Y CA 1.244 59.309 58.100 -0.059 0.000 1.226 366 Y CB -0.159 38.261 38.460 -0.066 0.000 1.000 366 Y HN 0.248 nan 8.280 nan 0.000 0.549 367 K N 0.152 120.596 120.400 0.073 0.000 2.211 367 K HA -0.240 4.083 4.320 0.006 0.000 0.203 367 K C 1.920 178.520 176.600 0.000 0.000 1.050 367 K CA 1.375 57.672 56.287 0.017 0.000 0.945 367 K CB 0.086 32.585 32.500 -0.002 0.000 0.732 367 K HN 0.274 nan 8.250 nan 0.000 0.451 368 Q N -0.439 119.355 119.800 -0.010 0.000 2.250 368 Q HA 0.093 4.436 4.340 0.006 0.000 0.200 368 Q C 1.455 177.445 176.000 -0.017 0.000 0.941 368 Q CA 1.072 56.861 55.803 -0.023 0.000 0.872 368 Q CB 0.174 28.887 28.738 -0.041 0.000 0.965 368 Q HN 0.306 nan 8.270 nan 0.000 0.480 369 A N -0.786 122.033 122.820 -0.002 0.000 2.167 369 A HA 0.058 4.381 4.320 0.006 0.000 0.214 369 A C 1.873 179.472 177.584 0.026 0.000 1.151 369 A CA 0.671 52.719 52.037 0.018 0.000 0.735 369 A CB -0.083 18.949 19.000 0.053 0.000 0.802 369 A HN 0.255 nan 8.150 nan 0.000 0.467 370 V N -0.749 119.175 119.914 0.017 0.000 2.331 370 V HA -0.152 3.972 4.120 0.006 0.000 0.242 370 V C 2.518 178.592 176.094 -0.032 0.000 1.034 370 V CA 1.768 64.057 62.300 -0.020 0.000 1.027 370 V CB -0.462 31.344 31.823 -0.028 0.000 0.667 370 V HN 0.333 nan 8.190 nan 0.000 0.457 371 V N -0.169 119.730 119.914 -0.025 0.000 2.453 371 V HA -0.284 3.839 4.120 0.006 0.000 0.252 371 V C 2.631 178.708 176.094 -0.029 0.000 1.068 371 V CA 2.432 64.716 62.300 -0.027 0.000 1.070 371 V CB -0.762 31.049 31.823 -0.022 0.000 0.664 371 V HN 0.589 nan 8.190 nan 0.000 0.461 372 S N -0.335 115.350 115.700 -0.026 0.000 2.371 372 S HA -0.054 4.419 4.470 0.006 0.000 0.224 372 S C 2.030 176.610 174.600 -0.033 0.000 1.029 372 S CA 1.264 59.448 58.200 -0.026 0.000 0.978 372 S CB -0.208 62.978 63.200 -0.022 0.000 0.833 372 S HN 0.618 nan 8.310 nan 0.000 0.466 373 A N 0.324 123.120 122.820 -0.040 0.000 2.119 373 A HA 0.087 4.411 4.320 0.006 0.000 0.216 373 A C 1.949 179.486 177.584 -0.079 0.000 1.152 373 A CA 1.321 53.322 52.037 -0.059 0.000 0.708 373 A CB -0.545 18.414 19.000 -0.068 0.000 0.805 373 A HN 0.583 nan 8.150 nan 0.000 0.460 374 Q N 0.454 120.212 119.800 -0.070 0.000 1.994 374 Q HA -0.080 4.263 4.340 0.006 0.000 0.198 374 Q C 2.082 178.048 176.000 -0.057 0.000 0.976 374 Q CA 2.382 58.141 55.803 -0.072 0.000 0.828 374 Q CB -0.483 28.221 28.738 -0.056 0.000 0.894 374 Q HN 0.471 nan 8.270 nan 0.000 0.432 375 S N -0.203 115.472 115.700 -0.042 0.000 2.440 375 S HA -0.131 4.342 4.470 0.006 0.000 0.238 375 S C 1.860 176.442 174.600 -0.031 0.000 1.010 375 S CA 1.012 59.193 58.200 -0.031 0.000 0.972 375 S CB -0.443 62.742 63.200 -0.024 0.000 0.774 375 S HN 0.434 nan 8.310 nan 0.000 0.501 376 S N 0.281 115.958 115.700 -0.038 0.000 2.489 376 S HA 0.208 4.682 4.470 0.006 0.000 0.228 376 S C 1.008 175.582 174.600 -0.044 0.000 0.995 376 S CA 0.331 58.510 58.200 -0.035 0.000 0.934 376 S CB -0.068 63.110 63.200 -0.036 0.000 0.771 376 S HN 0.459 nan 8.310 nan 0.000 0.522 377 L N 0.526 121.713 121.223 -0.060 0.000 3.168 377 L HA 0.430 4.773 4.340 0.006 0.000 0.277 377 L C 0.413 177.246 176.870 -0.062 0.000 1.245 377 L CA -0.041 54.755 54.840 -0.073 0.000 1.035 377 L CB 0.657 42.649 42.059 -0.113 0.000 1.399 377 L HN 0.080 nan 8.230 nan 0.000 0.580 378 D N 0.015 120.390 120.400 -0.042 0.000 2.716 378 D HA 0.122 4.765 4.640 0.006 0.000 0.273 378 D C 2.159 178.453 176.300 -0.010 0.000 1.024 378 D CA 0.880 54.864 54.000 -0.027 0.000 0.944 378 D CB 0.377 41.162 40.800 -0.026 0.000 1.186 378 D HN 0.151 nan 8.370 nan 0.000 0.485 379 A N 0.253 123.068 122.820 -0.009 0.000 1.968 379 A HA -0.012 4.312 4.320 0.006 0.000 0.217 379 A C 2.000 179.591 177.584 0.013 0.000 1.169 379 A CA 0.866 52.904 52.037 0.002 0.000 0.638 379 A CB -0.437 18.562 19.000 -0.001 0.000 0.812 379 A HN 0.195 nan 8.150 nan 0.000 0.446 380 M N -1.233 118.371 119.600 0.007 0.000 2.506 380 M HA -0.002 4.481 4.480 0.006 0.000 0.260 380 M C 1.814 178.140 176.300 0.043 0.000 1.104 380 M CA 1.138 56.452 55.300 0.024 0.000 1.112 380 M CB 0.146 32.750 32.600 0.007 0.000 1.401 380 M HN 0.501 nan 8.290 nan 0.000 0.473 381 E N 0.398 120.606 120.200 0.014 0.000 2.106 381 E HA -0.109 4.244 4.350 0.006 0.000 0.192 381 E C 1.727 178.380 176.600 0.089 0.000 0.984 381 E CA 1.633 58.044 56.400 0.019 0.000 0.806 381 E CB 0.004 29.694 29.700 -0.018 0.000 0.750 381 E HN 0.513 nan 8.360 nan 0.000 0.458 382 A N 0.053 122.911 122.820 0.064 0.000 1.929 382 A HA 0.045 4.369 4.320 0.006 0.000 0.216 382 A C 2.102 179.734 177.584 0.080 0.000 1.176 382 A CA 1.218 53.294 52.037 0.065 0.000 0.628 382 A CB -0.704 18.318 19.000 0.036 0.000 0.816 382 A HN 0.318 nan 8.150 nan 0.000 0.444 383 G N -2.566 106.286 108.800 0.086 0.000 3.374 383 G HA2 0.303 4.266 3.960 0.006 0.000 0.252 383 G HA3 0.303 4.266 3.960 0.006 0.000 0.252 383 G C 0.478 175.466 174.900 0.147 0.000 1.326 383 G CA 0.376 45.526 45.100 0.083 0.000 1.133 383 G HN 0.419 nan 8.290 nan 0.000 0.528 384 F N -0.417 119.530 119.950 -0.005 0.000 2.581 384 F HA 0.210 4.741 4.527 0.006 0.000 0.278 384 F C 2.178 177.976 175.800 -0.004 0.000 1.000 384 F CA 0.399 58.397 58.000 -0.004 0.000 1.230 384 F CB 0.398 39.395 39.000 -0.004 0.000 1.008 384 F HN 0.080 nan 8.300 nan 0.000 0.695 385 S N 0.006 115.780 115.700 0.123 0.000 2.515 385 S HA -0.011 4.463 4.470 0.006 0.000 0.231 385 S C 1.393 175.973 174.600 -0.032 0.000 0.987 385 S CA 1.241 59.461 58.200 0.034 0.000 0.936 385 S CB 0.017 63.270 63.200 0.088 0.000 0.766 385 S HN 0.257 nan 8.310 nan 0.000 0.528 386 V N -0.659 119.235 119.914 -0.033 0.000 3.502 386 V HA 0.443 4.567 4.120 0.006 0.000 0.288 386 V C 0.813 176.868 176.094 -0.066 0.000 1.461 386 V CA 0.016 62.291 62.300 -0.041 0.000 1.029 386 V CB -0.553 31.262 31.823 -0.014 0.000 0.843 386 V HN 0.386 nan 8.190 nan 0.000 0.438 387 G N 1.023 109.766 108.800 -0.096 0.000 3.450 387 G HA2 -0.090 3.873 3.960 0.006 0.000 0.668 387 G HA3 -0.090 3.873 3.960 0.006 0.000 0.668 387 G C -0.089 174.782 174.900 -0.049 0.000 0.941 387 G CA 0.312 45.344 45.100 -0.114 0.000 0.766 387 G HN 0.301 nan 8.290 nan 0.000 0.451 388 T N 2.290 116.831 114.554 -0.023 0.000 3.422 388 T HA 0.346 4.699 4.350 0.006 0.000 0.179 388 T C 0.776 175.483 174.700 0.011 0.000 0.946 388 T CA 0.607 62.708 62.100 0.002 0.000 1.025 388 T CB 0.557 69.438 68.868 0.020 0.000 1.298 388 T HN 0.618 nan 8.240 nan 0.000 0.312 389 E N 1.075 121.295 120.200 0.034 0.000 2.334 389 E HA 0.513 4.867 4.350 0.006 0.000 0.256 389 E C -0.904 175.727 176.600 0.052 0.000 0.958 389 E CA -0.675 55.746 56.400 0.035 0.000 0.821 389 E CB 1.187 30.907 29.700 0.033 0.000 1.269 389 E HN 0.188 nan 8.360 nan 0.000 0.413 390 T N 1.276 115.856 114.554 0.043 0.000 2.905 390 T HA -0.031 4.322 4.350 0.006 0.000 0.299 390 T C 1.063 175.806 174.700 0.072 0.000 1.024 390 T CA 0.272 62.401 62.100 0.048 0.000 1.151 390 T CB 0.065 68.954 68.868 0.035 0.000 0.987 390 T HN 0.285 nan 8.240 nan 0.000 0.535 391 I N 3.261 123.884 120.570 0.088 0.000 3.059 391 I HA -0.041 4.133 4.170 0.006 0.000 0.270 391 I C 2.307 178.463 176.117 0.066 0.000 1.238 391 I CA 0.607 61.976 61.300 0.115 0.000 1.478 391 I CB -0.209 37.896 38.000 0.175 0.000 1.097 391 I HN 0.518 nan 8.210 nan 0.000 0.455 392 V N 0.516 120.460 119.914 0.050 0.000 2.594 392 V HA -0.251 3.872 4.120 0.006 0.000 0.253 392 V C 1.903 178.015 176.094 0.030 0.000 1.069 392 V CA 1.709 64.031 62.300 0.035 0.000 1.082 392 V CB -0.601 31.239 31.823 0.028 0.000 0.680 392 V HN 0.382 nan 8.190 nan 0.000 0.469 393 D N -0.056 120.364 120.400 0.032 0.000 2.183 393 D HA -0.073 4.571 4.640 0.006 0.000 0.203 393 D C 2.058 178.370 176.300 0.019 0.000 0.969 393 D CA 0.939 54.953 54.000 0.024 0.000 0.842 393 D CB -0.036 40.780 40.800 0.026 0.000 0.957 393 D HN 0.348 nan 8.370 nan 0.000 0.484 394 V N 0.857 120.786 119.914 0.024 0.000 2.809 394 V HA -0.109 4.015 4.120 0.006 0.000 0.256 394 V C 2.450 178.538 176.094 -0.009 0.000 1.080 394 V CA 0.668 62.967 62.300 -0.001 0.000 1.102 394 V CB -0.282 31.537 31.823 -0.007 0.000 0.705 394 V HN 0.165 nan 8.190 nan 0.000 0.475 395 L N -0.007 121.222 121.223 0.011 0.000 1.988 395 L HA -0.148 4.196 4.340 0.006 0.000 0.207 395 L C 2.424 179.309 176.870 0.024 0.000 1.071 395 L CA 1.982 56.834 54.840 0.021 0.000 0.744 395 L CB -0.544 41.534 42.059 0.031 0.000 0.893 395 L HN 0.303 nan 8.230 nan 0.000 0.433 396 D N -0.310 120.103 120.400 0.020 0.000 2.264 396 D HA -0.116 4.528 4.640 0.006 0.000 0.208 396 D C 2.007 178.313 176.300 0.010 0.000 0.966 396 D CA 1.040 55.052 54.000 0.019 0.000 0.864 396 D CB 0.255 41.065 40.800 0.016 0.000 0.933 396 D HN 0.277 nan 8.370 nan 0.000 0.499 397 A N -0.506 122.314 122.820 -0.000 0.000 2.014 397 A HA -0.082 4.242 4.320 0.006 0.000 0.218 397 A C 2.209 179.773 177.584 -0.034 0.000 1.163 397 A CA 1.969 53.996 52.037 -0.017 0.000 0.652 397 A CB -0.674 nan 19.000 nan 0.000 0.808 397 A HN 0.385 nan 8.150 nan 0.000 0.449 398 T N -2.764 111.777 114.554 -0.021 0.000 3.054 398 T HA -0.075 4.279 4.350 0.006 0.000 0.259 398 T C 1.847 176.577 174.700 0.051 0.000 1.092 398 T CA 1.578 63.664 62.100 -0.024 0.000 1.121 398 T CB -0.783 68.090 68.868 0.008 0.000 0.912 398 T HN 0.573 nan 8.240 nan 0.000 0.489 399 T N 0.593 115.184 114.554 0.062 0.000 2.857 399 T HA -0.087 4.266 4.350 0.006 0.000 0.266 399 T C 1.958 176.689 174.700 0.051 0.000 1.048 399 T CA 1.470 63.620 62.100 0.083 0.000 1.139 399 T CB -1.198 67.703 68.868 0.054 0.000 0.874 399 T HN 0.398 nan 8.240 nan 0.000 0.455 400 T N 1.583 116.144 114.554 0.013 0.000 3.088 400 T HA 0.255 4.608 4.350 0.006 0.000 0.259 400 T C 1.609 176.287 174.700 -0.037 0.000 1.122 400 T CA 0.311 62.408 62.100 -0.005 0.000 1.095 400 T CB -0.159 68.706 68.868 -0.005 0.000 0.930 400 T HN 0.203 nan 8.240 nan 0.000 0.508 401 L N -0.126 121.050 121.223 -0.077 0.000 2.131 401 L HA 0.180 4.524 4.340 0.006 0.000 0.206 401 L C 1.773 178.511 176.870 -0.221 0.000 1.087 401 L CA 1.601 56.337 54.840 -0.174 0.000 0.767 401 L CB -0.493 41.405 42.059 -0.268 0.000 0.917 401 L HN 0.129 nan 8.230 nan 0.000 0.441 402 Y N -0.583 119.659 120.300 -0.096 0.000 2.397 402 Y HA 0.027 4.580 4.550 0.006 0.000 0.292 402 Y C 2.199 177.951 175.900 -0.247 0.000 1.115 402 Y CA 0.729 58.728 58.100 -0.167 0.000 1.208 402 Y CB -0.475 37.925 38.460 -0.100 0.000 1.046 402 Y HN 0.270 nan 8.280 nan 0.000 0.552 403 N N -0.148 118.545 118.700 -0.012 0.000 2.520 403 N HA -0.082 4.661 4.740 0.006 0.000 0.185 403 N C 1.747 177.170 175.510 -0.144 0.000 1.068 403 N CA 0.922 53.925 53.050 -0.078 0.000 0.911 403 N CB -0.237 38.234 38.487 -0.027 0.000 0.961 403 N HN 0.348 nan 8.380 nan 0.000 0.446 404 A N 0.767 123.511 122.820 -0.127 0.000 1.898 404 A HA -0.014 4.310 4.320 0.006 0.000 0.214 404 A C 2.083 179.509 177.584 -0.264 0.000 1.183 404 A CA 0.851 52.811 52.037 -0.128 0.000 0.622 404 A CB -0.055 18.933 19.000 -0.019 0.000 0.824 404 A HN 0.003 nan 8.150 nan 0.000 0.444 405 K N -0.259 119.963 120.400 -0.297 0.000 2.097 405 K HA -0.155 4.169 4.320 0.006 0.000 0.206 405 K C 2.167 178.404 176.600 -0.606 0.000 1.049 405 K CA 1.335 57.358 56.287 -0.439 0.000 0.933 405 K CB -0.248 31.921 32.500 -0.551 0.000 0.717 405 K HN 0.590 nan 8.250 nan 0.000 0.442 406 Q N 0.778 120.207 119.800 -0.618 0.000 2.167 406 Q HA -0.134 4.209 4.340 0.006 0.000 0.202 406 Q C 1.219 177.060 176.000 -0.264 0.000 0.970 406 Q CA 1.232 56.804 55.803 -0.384 0.000 0.855 406 Q CB 0.351 28.952 28.738 -0.229 0.000 0.911 406 Q HN 0.237 nan 8.270 nan 0.000 0.438 407 E N 0.259 120.201 120.200 -0.430 0.000 2.385 407 E HA -0.060 4.293 4.350 0.006 0.000 0.194 407 E C 1.915 178.090 176.600 -0.708 0.000 1.013 407 E CA 0.054 56.087 56.400 -0.611 0.000 0.866 407 E CB 0.002 29.130 29.700 -0.954 0.000 0.832 407 E HN 0.223 nan 8.360 nan 0.000 0.500 408 L N 1.185 122.072 121.223 -0.559 0.000 2.023 408 L HA 0.059 4.402 4.340 0.006 0.000 0.205 408 L C 2.189 178.927 176.870 -0.220 0.000 1.073 408 L CA 2.083 56.746 54.840 -0.294 0.000 0.745 408 L CB -0.831 41.124 42.059 -0.172 0.000 0.900 408 L HN 0.008 nan 8.230 nan 0.000 0.435 409 A N -0.238 122.462 122.820 -0.201 0.000 1.972 409 A HA -0.251 4.072 4.320 0.006 0.000 0.219 409 A C 2.263 179.704 177.584 -0.238 0.000 1.169 409 A CA 1.757 53.650 52.037 -0.241 0.000 0.635 409 A CB -1.123 17.843 19.000 -0.058 0.000 0.810 409 A HN 0.733 nan 8.150 nan 0.000 0.446 410 N N 0.615 119.267 118.700 -0.081 0.000 2.058 410 N HA -0.179 4.564 4.740 0.006 0.000 0.191 410 N C 1.968 177.482 175.510 0.008 0.000 1.037 410 N CA 1.761 54.828 53.050 0.028 0.000 0.848 410 N CB -0.295 38.187 38.487 -0.009 0.000 1.021 410 N HN 0.345 nan 8.380 nan 0.000 0.422 411 A N 1.511 124.308 122.820 -0.037 0.000 1.908 411 A HA -0.133 4.191 4.320 0.006 0.000 0.218 411 A C 2.332 179.937 177.584 0.035 0.000 1.181 411 A CA 1.188 53.246 52.037 0.036 0.000 0.627 411 A CB -0.618 18.440 19.000 0.096 0.000 0.818 411 A HN 0.401 nan 8.150 nan 0.000 0.445 412 R N -2.000 118.440 120.500 -0.099 0.000 2.105 412 R HA -0.163 4.180 4.340 0.006 0.000 0.239 412 R C 1.944 178.193 176.300 -0.084 0.000 1.135 412 R CA 1.824 57.837 56.100 -0.146 0.000 0.967 412 R CB -0.404 29.568 30.300 -0.546 0.000 0.861 412 R HN 0.680 nan 8.270 nan 0.000 0.442 413 Y N 0.618 120.867 120.300 -0.085 0.000 2.184 413 Y HA -0.082 4.472 4.550 0.006 0.000 0.290 413 Y C 2.107 177.876 175.900 -0.218 0.000 1.129 413 Y CA 0.680 58.611 58.100 -0.282 0.000 1.144 413 Y CB -0.501 37.793 38.460 -0.278 0.000 0.995 413 Y HN 0.030 nan 8.280 nan 0.000 0.513 414 N N -0.457 118.298 118.700 0.091 0.000 2.137 414 N HA -0.264 4.479 4.740 0.006 0.000 0.190 414 N C 1.814 177.367 175.510 0.072 0.000 1.017 414 N CA 1.640 54.732 53.050 0.071 0.000 0.859 414 N CB -1.028 37.509 38.487 0.083 0.000 1.002 414 N HN 0.493 nan 8.380 nan 0.000 0.428 415 Y N 1.491 121.791 120.300 -0.000 0.000 2.165 415 Y HA -0.108 4.446 4.550 0.006 0.000 0.286 415 Y C 2.178 178.071 175.900 -0.012 0.000 1.155 415 Y CA 1.374 59.477 58.100 0.005 0.000 1.164 415 Y CB -0.427 38.063 38.460 0.050 0.000 0.978 415 Y HN -0.021 nan 8.280 nan 0.000 0.513 416 L N -0.209 121.014 121.223 -0.001 0.000 2.093 416 L HA -0.208 4.135 4.340 0.006 0.000 0.208 416 L C 2.350 179.172 176.870 -0.080 0.000 1.085 416 L CA 1.316 56.101 54.840 -0.091 0.000 0.755 416 L CB -0.466 41.547 42.059 -0.076 0.000 0.904 416 L HN 0.310 nan 8.230 nan 0.000 0.435 417 I N -0.505 120.031 120.570 -0.056 0.000 2.315 417 I HA -0.235 3.938 4.170 0.006 0.000 0.248 417 I C 2.093 178.189 176.117 -0.034 0.000 1.117 417 I CA 0.853 62.177 61.300 0.041 0.000 1.404 417 I CB -0.474 37.576 38.000 0.083 0.000 1.071 417 I HN 0.300 nan 8.210 nan 0.000 0.419 418 N N 0.878 119.518 118.700 -0.101 0.000 2.289 418 N HA -0.180 4.564 4.740 0.006 0.000 0.184 418 N C 1.856 177.256 175.510 -0.182 0.000 1.016 418 N CA 1.125 54.098 53.050 -0.128 0.000 0.872 418 N CB -0.162 38.244 38.487 -0.135 0.000 0.973 418 N HN 0.501 nan 8.380 nan 0.000 0.433 419 Q N 0.123 119.752 119.800 -0.285 0.000 2.124 419 Q HA -0.038 4.306 4.340 0.006 0.000 0.202 419 Q C 2.002 177.931 176.000 -0.119 0.000 0.977 419 Q CA 0.928 56.584 55.803 -0.246 0.000 0.850 419 Q CB -0.011 28.552 28.738 -0.291 0.000 0.901 419 Q HN 0.370 nan 8.270 nan 0.000 0.429 420 L N 0.351 121.528 121.223 -0.077 0.000 2.131 420 L HA -0.103 4.240 4.340 0.006 0.000 0.206 420 L C 1.858 178.706 176.870 -0.036 0.000 1.087 420 L CA 0.454 55.268 54.840 -0.042 0.000 0.767 420 L CB -0.300 41.754 42.059 -0.008 0.000 0.917 420 L HN 0.172 nan 8.230 nan 0.000 0.441 421 N N 0.254 118.935 118.700 -0.032 0.000 2.309 421 N HA -0.152 4.592 4.740 0.006 0.000 0.182 421 N C 1.769 177.268 175.510 -0.020 0.000 1.018 421 N CA 1.136 54.174 53.050 -0.020 0.000 0.876 421 N CB -0.020 38.459 38.487 -0.013 0.000 0.972 421 N HN 0.235 nan 8.380 nan 0.000 0.434 422 I N 1.289 121.842 120.570 -0.028 0.000 2.761 422 I HA -0.096 4.078 4.170 0.006 0.000 0.261 422 I C 1.805 177.912 176.117 -0.017 0.000 1.198 422 I CA 0.996 62.289 61.300 -0.012 0.000 1.482 422 I CB 0.098 38.096 38.000 -0.004 0.000 1.100 422 I HN -0.114 nan 8.210 nan 0.000 0.445 423 K N -0.327 120.056 120.400 -0.029 0.000 2.044 423 K HA -0.034 4.289 4.320 0.006 0.000 0.204 423 K C 2.295 178.878 176.600 -0.028 0.000 1.049 423 K CA 1.329 57.597 56.287 -0.031 0.000 0.945 423 K CB -0.827 31.647 32.500 -0.042 0.000 0.724 423 K HN 0.292 nan 8.250 nan 0.000 0.440 424 S N 1.103 116.786 115.700 -0.029 0.000 2.374 424 S HA -0.194 4.280 4.470 0.006 0.000 0.227 424 S C 2.070 176.658 174.600 -0.021 0.000 1.037 424 S CA 1.553 59.738 58.200 -0.026 0.000 1.024 424 S CB -0.153 63.034 63.200 -0.022 0.000 0.861 424 S HN 0.361 nan 8.310 nan 0.000 0.456 425 A N 1.098 123.907 122.820 -0.018 0.000 1.898 425 A HA 0.134 4.458 4.320 0.006 0.000 0.216 425 A C 2.204 179.776 177.584 -0.021 0.000 1.181 425 A CA 1.263 53.288 52.037 -0.019 0.000 0.620 425 A CB -0.742 18.249 19.000 -0.015 0.000 0.819 425 A HN 0.573 nan 8.150 nan 0.000 0.442 426 L N -1.267 119.945 121.223 -0.018 0.000 2.191 426 L HA -0.014 4.329 4.340 0.006 0.000 0.212 426 L C 1.826 178.687 176.870 -0.015 0.000 1.103 426 L CA 0.882 55.712 54.840 -0.017 0.000 0.769 426 L CB -0.424 41.627 42.059 -0.014 0.000 0.908 426 L HN 0.641 nan 8.230 nan 0.000 0.438 427 G N -0.376 108.414 108.800 -0.017 0.000 2.132 427 G HA2 -0.271 3.692 3.960 0.006 0.000 0.234 427 G HA3 -0.271 3.692 3.960 0.006 0.000 0.234 427 G C 0.614 175.505 174.900 -0.015 0.000 0.989 427 G CA 0.470 45.561 45.100 -0.014 0.000 0.676 427 G HN 0.380 nan 8.290 nan 0.000 0.522 428 T N -2.337 112.205 114.554 -0.020 0.000 3.200 428 T HA 0.544 4.898 4.350 0.006 0.000 0.284 428 T C 0.648 175.329 174.700 -0.032 0.000 1.009 428 T CA 0.195 62.282 62.100 -0.021 0.000 0.907 428 T CB 0.702 69.561 68.868 -0.017 0.000 1.120 428 T HN 1.015 nan 8.240 nan 0.000 0.534 429 L N 4.327 125.526 121.223 -0.040 0.000 2.500 429 L HA 0.448 4.792 4.340 0.006 0.000 0.272 429 L C -0.153 176.676 176.870 -0.069 0.000 1.149 429 L CA 0.167 54.973 54.840 -0.058 0.000 0.897 429 L CB -0.169 41.853 42.059 -0.061 0.000 1.178 429 L HN 0.562 nan 8.230 nan 0.000 0.473 430 N N 2.218 120.868 118.700 -0.082 0.000 3.278 430 N HA 0.127 4.870 4.740 0.006 0.000 0.307 430 N C 0.310 175.736 175.510 -0.139 0.000 1.551 430 N CA -0.421 52.575 53.050 -0.092 0.000 0.794 430 N CB 0.449 38.907 38.487 -0.049 0.000 1.770 430 N HN 0.592 nan 8.380 nan 0.000 0.612 431 E N -0.521 119.600 120.200 -0.131 0.000 2.219 431 E HA -0.229 4.125 4.350 0.006 0.000 0.198 431 E C 0.805 177.333 176.600 -0.120 0.000 0.998 431 E CA 1.461 57.763 56.400 -0.163 0.000 0.818 431 E CB 0.165 29.839 29.700 -0.043 0.000 0.741 431 E HN 0.427 nan 8.360 nan 0.000 0.477 432 Q N 0.625 120.378 119.800 -0.078 0.000 2.170 432 Q HA -0.133 4.210 4.340 0.006 0.000 0.203 432 Q C 1.328 177.289 176.000 -0.065 0.000 0.976 432 Q CA 1.349 57.118 55.803 -0.057 0.000 0.858 432 Q CB 0.056 28.771 28.738 -0.037 0.000 0.907 432 Q HN 0.323 nan 8.270 nan 0.000 0.433 433 D N -0.773 119.576 120.400 -0.084 0.000 2.312 433 D HA -0.050 4.593 4.640 0.006 0.000 0.211 433 D C 1.458 177.704 176.300 -0.090 0.000 0.964 433 D CA 0.534 54.487 54.000 -0.077 0.000 0.877 433 D CB 0.162 40.914 40.800 -0.081 0.000 0.924 433 D HN 0.293 nan 8.370 nan 0.000 0.515 434 L N -0.080 121.061 121.223 -0.137 0.000 2.209 434 L HA 0.037 4.381 4.340 0.006 0.000 0.207 434 L C 2.420 179.229 176.870 -0.101 0.000 1.094 434 L CA 0.233 54.977 54.840 -0.159 0.000 0.790 434 L CB -0.103 41.795 42.059 -0.268 0.000 0.932 434 L HN -0.018 nan 8.230 nan 0.000 0.447 435 L N 0.056 121.234 121.223 -0.075 0.000 2.056 435 L HA -0.165 4.178 4.340 0.006 0.000 0.207 435 L C 2.832 179.689 176.870 -0.022 0.000 1.078 435 L CA 1.184 55.999 54.840 -0.040 0.000 0.749 435 L CB -0.444 41.597 42.059 -0.029 0.000 0.901 435 L HN 0.240 nan 8.230 nan 0.000 0.433 436 A N -0.647 122.159 122.820 -0.022 0.000 2.032 436 A HA -0.199 4.124 4.320 0.006 0.000 0.221 436 A C 1.892 179.484 177.584 0.013 0.000 1.165 436 A CA 1.489 53.522 52.037 -0.007 0.000 0.645 436 A CB -0.458 18.534 19.000 -0.013 0.000 0.807 436 A HN 0.354 nan 8.150 nan 0.000 0.453 437 L N -0.249 120.984 121.223 0.017 0.000 2.592 437 L HA 0.116 4.459 4.340 0.006 0.000 0.227 437 L C 1.669 178.578 176.870 0.064 0.000 1.127 437 L CA 0.356 55.233 54.840 0.062 0.000 0.884 437 L CB -0.509 41.602 42.059 0.086 0.000 1.065 437 L HN 0.243 nan 8.230 nan 0.000 0.457 438 N N 1.006 119.725 118.700 0.030 0.000 2.022 438 N HA -0.225 4.518 4.740 0.006 0.000 0.194 438 N C 1.452 176.996 175.510 0.057 0.000 1.057 438 N CA 1.957 55.025 53.050 0.030 0.000 0.849 438 N CB -0.385 38.109 38.487 0.012 0.000 1.044 438 N HN 0.559 nan 8.380 nan 0.000 0.424 439 N N -0.206 118.526 118.700 0.054 0.000 2.521 439 N HA 0.094 4.838 4.740 0.006 0.000 0.188 439 N C 1.143 176.706 175.510 0.088 0.000 1.146 439 N CA 0.674 53.761 53.050 0.062 0.000 0.893 439 N CB 0.072 38.587 38.487 0.046 0.000 0.975 439 N HN 0.174 nan 8.380 nan 0.000 0.451 440 A N 0.279 123.164 122.820 0.108 0.000 2.066 440 A HA 0.125 4.449 4.320 0.006 0.000 0.218 440 A C 0.580 178.282 177.584 0.198 0.000 1.157 440 A CA 0.534 52.668 52.037 0.162 0.000 0.670 440 A CB -0.429 18.676 19.000 0.176 0.000 0.804 440 A HN 0.444 nan 8.150 nan 0.000 0.453 441 L N -2.757 118.572 121.223 0.176 0.000 2.442 441 L HA 0.605 4.948 4.340 0.006 0.000 0.261 441 L C 0.256 177.208 176.870 0.136 0.000 1.000 441 L CA 0.303 55.257 54.840 0.189 0.000 0.882 441 L CB 1.105 43.334 42.059 0.283 0.000 1.207 441 L HN 0.066 nan 8.230 nan 0.000 0.443 442 S N 0.241 116.005 115.700 0.107 0.000 2.554 442 S HA 0.154 4.628 4.470 0.006 0.000 0.227 442 S C 0.760 175.400 174.600 0.067 0.000 1.050 442 S CA -0.210 58.037 58.200 0.079 0.000 0.927 442 S CB 0.023 63.261 63.200 0.064 0.000 0.859 442 S HN 0.560 nan 8.310 nan 0.000 0.494 443 K N 3.960 124.400 120.400 0.067 0.000 2.336 443 K HA 0.252 4.575 4.320 0.006 0.000 0.290 443 K C -2.868 173.760 176.600 0.046 0.000 1.067 443 K CA -1.768 54.549 56.287 0.049 0.000 0.962 443 K CB 0.296 32.821 32.500 0.041 0.000 1.008 443 K HN 0.158 nan 8.250 nan 0.000 0.467 444 P HA 0.093 nan 4.420 nan 0.000 0.284 444 P C -1.071 176.235 177.300 0.010 0.000 1.253 444 P CA -0.573 62.544 63.100 0.027 0.000 0.800 444 P CB 1.264 32.981 31.700 0.028 0.000 0.961 445 V N -0.744 119.167 119.914 -0.005 0.000 3.049 445 V HA 0.749 4.872 4.120 0.006 0.000 0.309 445 V C -0.062 176.013 176.094 -0.032 0.000 1.148 445 V CA -1.080 61.208 62.300 -0.021 0.000 0.990 445 V CB 1.515 33.318 31.823 -0.033 0.000 1.039 445 V HN 0.623 nan 8.190 nan 0.000 0.430 446 S N 1.294 116.977 115.700 -0.028 0.000 2.603 446 S HA 0.443 4.917 4.470 0.006 0.000 0.268 446 S C 0.863 175.437 174.600 -0.045 0.000 1.317 446 S CA 0.367 58.552 58.200 -0.026 0.000 1.012 446 S CB 1.242 64.437 63.200 -0.008 0.000 0.926 446 S HN 1.846 nan 8.310 nan 0.000 0.539 447 T N -1.854 112.675 114.554 -0.043 0.000 3.044 447 T HA 0.303 4.657 4.350 0.006 0.000 0.260 447 T C 0.313 175.013 174.700 0.001 0.000 1.019 447 T CA -0.391 61.675 62.100 -0.057 0.000 0.921 447 T CB -0.424 68.369 68.868 -0.125 0.000 1.053 447 T HN 0.629 nan 8.240 nan 0.000 0.533 448 N N 2.490 121.210 118.700 0.033 0.000 2.750 448 N HA 0.322 5.065 4.740 0.006 0.000 0.253 448 N C -3.246 172.277 175.510 0.022 0.000 1.408 448 N CA -0.940 52.141 53.050 0.051 0.000 0.780 448 N CB 1.520 40.077 38.487 0.116 0.000 1.191 448 N HN 0.182 nan 8.380 nan 0.000 0.511 449 P HA 0.180 nan 4.420 nan 0.000 0.276 449 P C -0.409 176.882 177.300 -0.014 0.000 1.235 449 P CA 0.001 63.093 63.100 -0.014 0.000 0.772 449 P CB 0.824 32.505 31.700 -0.032 0.000 0.871 450 E N 1.036 121.229 120.200 -0.013 0.000 2.227 450 E HA 0.831 5.184 4.350 0.006 0.000 0.268 450 E C -0.582 176.005 176.600 -0.021 0.000 0.990 450 E CA -1.141 55.251 56.400 -0.014 0.000 0.856 450 E CB 1.038 30.733 29.700 -0.009 0.000 1.159 450 E HN 0.339 nan 8.360 nan 0.000 0.401 451 L N 0.000 121.209 121.223 -0.023 0.000 2.949 451 L HA 0.000 4.343 4.340 0.006 0.000 0.249 451 L CA 0.000 nan 54.840 nan 0.000 0.813 451 L CB 0.000 nan 42.059 nan 0.000 0.961 451 L HN 0.000 nan 8.230 nan 0.000 0.502