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 2e9r_1_X DATA FIRST_RESID 1 DATA SEQUENCE GLIVDTRDVE ERVHVMRKTK LAPTVAHGVF NPEFGPAALS NKDPRLNEGV DATA SEQUENCE VLDEVIFSKH KGDTKMSAED KALFRRCAAD YASRLHSVLG TANAPLSIYE DATA SEQUENCE AIKGVDGLDA MEPDTAPGLP WALQGKRRGA LIDFENGTVG PEVEAALKLM DATA SEQUENCE EKREYKFACQ TFLKDEIRPM EKVRAGKTRI VDVLPVEHIL YTRMMIGRFC DATA SEQUENCE AQMHSNNGPQ IGSAVGCNPD VDWQRFGTHF AQYRNVWDVD YSAFDANHCS DATA SEQUENCE DAMNIMFEEV FRTEFGFHPN AEWILKTLVN TEHAYENKRI TVEGGMPSGC DATA SEQUENCE SATSIINTIL NNIYVLYALR RHYEGVELDT YTMISYGDDI VVASDYDLDF DATA SEQUENCE EALKPHFKSL GQTITPADKS DKGFVLGHSI TDVTFLKRHF HMDYGTGFYK DATA SEQUENCE PVMASKTLEA ILSFARRGTI QEKLISVAGL AVHSGPDEYR RLFEPFQGLF DATA SEQUENCE EIPSYRSLYL RWVNAVCGDA AALEHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 1 G C 0.000 174.755 174.900 -0.242 0.000 0.946 1 G CA 0.000 44.977 45.100 -0.204 0.000 0.502 2 L N 1.986 123.126 121.223 -0.138 0.000 2.367 2 L HA 0.520 4.860 4.340 -0.001 0.000 0.275 2 L C 0.573 177.373 176.870 -0.117 0.000 1.129 2 L CA -0.495 54.292 54.840 -0.089 0.000 0.839 2 L CB 0.562 42.588 42.059 -0.055 0.000 1.133 2 L HN 0.413 nan 8.230 nan 0.000 0.453 3 I N 6.188 126.716 120.570 -0.071 0.000 2.352 3 I HA 0.063 4.233 4.170 -0.001 0.000 0.290 3 I C 1.478 177.565 176.117 -0.050 0.000 1.036 3 I CA -0.328 60.936 61.300 -0.061 0.000 1.336 3 I CB 1.383 39.367 38.000 -0.026 0.000 1.407 3 I HN 0.688 nan 8.210 nan 0.000 0.497 4 V N 3.321 123.201 119.914 -0.058 0.000 2.250 4 V HA -0.173 3.946 4.120 -0.001 0.000 0.250 4 V C 0.633 176.704 176.094 -0.040 0.000 1.060 4 V CA 2.101 64.373 62.300 -0.048 0.000 1.030 4 V CB -0.979 30.812 31.823 -0.053 0.000 0.643 4 V HN 1.047 nan 8.190 nan 0.000 0.445 5 D N -1.927 118.445 120.400 -0.046 0.000 2.863 5 D HA 0.285 4.924 4.640 -0.001 0.000 0.114 5 D C -0.230 176.039 176.300 -0.052 0.000 0.787 5 D CA 0.072 54.047 54.000 -0.043 0.000 1.623 5 D CB -1.665 39.118 40.800 -0.029 0.000 3.923 5 D HN 0.741 nan 8.370 nan 0.000 0.876 6 T N 1.978 116.489 114.554 -0.071 0.000 2.897 6 T HA 0.339 4.689 4.350 -0.001 0.000 0.304 6 T C 0.882 175.559 174.700 -0.039 0.000 1.051 6 T CA 0.523 62.580 62.100 -0.071 0.000 1.132 6 T CB 0.312 69.122 68.868 -0.097 0.000 1.066 6 T HN 0.650 nan 8.240 nan 0.000 0.518 7 R N 1.701 122.182 120.500 -0.031 0.000 2.700 7 R HA 0.398 4.737 4.340 -0.001 0.000 0.253 7 R C 0.046 176.345 176.300 -0.002 0.000 1.091 7 R CA -0.931 55.159 56.100 -0.016 0.000 1.104 7 R CB 0.475 30.764 30.300 -0.019 0.000 1.202 7 R HN 0.764 nan 8.270 nan 0.000 0.532 8 D N 0.128 120.529 120.400 0.001 0.000 2.304 8 D HA 0.294 4.933 4.640 -0.001 0.000 0.247 8 D C -0.683 175.619 176.300 0.003 0.000 1.089 8 D CA -0.225 53.779 54.000 0.007 0.000 0.910 8 D CB 1.343 42.146 40.800 0.006 0.000 1.199 8 D HN 0.110 nan 8.370 nan 0.000 0.426 9 V N 1.161 121.078 119.914 0.005 0.000 3.087 9 V HA 0.097 4.217 4.120 -0.001 0.000 0.306 9 V C 0.749 176.844 176.094 0.001 0.000 1.187 9 V CA -0.578 61.723 62.300 0.001 0.000 0.999 9 V CB 2.035 33.858 31.823 -0.001 0.000 1.049 9 V HN 0.718 nan 8.190 nan 0.000 0.431 10 E N 1.476 121.676 120.200 -0.000 0.000 2.107 10 E HA -0.006 4.343 4.350 -0.001 0.000 0.191 10 E C 0.246 176.845 176.600 -0.002 0.000 0.982 10 E CA 0.597 56.998 56.400 0.000 0.000 0.809 10 E CB 0.191 29.892 29.700 0.001 0.000 0.756 10 E HN 0.720 nan 8.360 nan 0.000 0.459 11 E N 0.929 121.128 120.200 -0.002 0.000 2.404 11 E HA 0.096 4.446 4.350 -0.001 0.000 0.261 11 E C -0.011 176.582 176.600 -0.012 0.000 1.074 11 E CA 0.215 56.613 56.400 -0.003 0.000 0.917 11 E CB 0.851 30.551 29.700 -0.000 0.000 0.965 11 E HN -0.058 nan 8.360 nan 0.000 0.433 12 R N 1.557 122.046 120.500 -0.019 0.000 2.507 12 R HA 0.215 4.554 4.340 -0.001 0.000 0.298 12 R C -1.662 174.604 176.300 -0.056 0.000 1.087 12 R CA -0.410 55.665 56.100 -0.041 0.000 0.917 12 R CB 0.965 31.242 30.300 -0.040 0.000 1.173 12 R HN 0.293 nan 8.270 nan 0.000 0.472 13 V N 3.970 123.837 119.914 -0.079 0.000 2.322 13 V HA 0.315 4.434 4.120 -0.001 0.000 0.258 13 V C 1.245 177.263 176.094 -0.126 0.000 1.074 13 V CA -0.030 62.229 62.300 -0.069 0.000 0.909 13 V CB -0.220 31.585 31.823 -0.030 0.000 1.090 13 V HN 0.917 nan 8.190 nan 0.000 0.486 14 H N 2.456 121.467 119.070 -0.099 0.000 2.929 14 H HA 0.476 5.031 4.556 -0.001 0.000 0.358 14 H C 0.876 176.100 175.328 -0.173 0.000 1.111 14 H CA 0.691 56.663 56.048 -0.126 0.000 1.409 14 H CB 1.072 30.786 29.762 -0.080 0.000 1.373 14 H HN 0.842 nan 8.280 nan 0.000 0.610 15 V N -2.427 117.353 119.914 -0.222 0.000 5.138 15 V HA 0.133 4.252 4.120 -0.001 0.000 0.125 15 V C 1.180 177.126 176.094 -0.247 0.000 1.240 15 V CA -0.025 62.071 62.300 -0.340 0.000 0.974 15 V CB -0.795 30.782 31.823 -0.410 0.000 1.164 15 V HN 0.861 nan 8.190 nan 0.000 0.660 16 M N 2.806 122.307 119.600 -0.165 0.000 2.398 16 M HA -0.121 4.358 4.480 -0.001 0.000 0.539 16 M C 0.447 176.691 176.300 -0.093 0.000 1.433 16 M CA 1.135 56.379 55.300 -0.094 0.000 0.840 16 M CB -1.187 31.381 32.600 -0.053 0.000 1.855 16 M HN 0.503 nan 8.290 nan 0.000 0.531 17 R N 2.612 123.056 120.500 -0.093 0.000 2.527 17 R HA 0.723 5.062 4.340 -0.001 0.000 0.243 17 R C 0.135 176.408 176.300 -0.044 0.000 1.206 17 R CA -0.071 55.984 56.100 -0.076 0.000 1.134 17 R CB 0.794 31.045 30.300 -0.082 0.000 1.347 17 R HN 0.613 nan 8.270 nan 0.000 0.580 18 K N 0.075 120.457 120.400 -0.030 0.000 2.371 18 K HA 0.279 4.598 4.320 -0.001 0.000 0.251 18 K C -0.568 176.026 176.600 -0.009 0.000 0.934 18 K CA -0.539 55.738 56.287 -0.016 0.000 0.798 18 K CB 1.570 34.066 32.500 -0.007 0.000 1.204 18 K HN 0.645 nan 8.250 nan 0.000 0.427 19 T N 1.330 115.880 114.554 -0.005 0.000 2.934 19 T HA 0.063 4.413 4.350 -0.001 0.000 0.306 19 T C 0.751 175.462 174.700 0.018 0.000 1.042 19 T CA 0.448 62.548 62.100 -0.000 0.000 1.145 19 T CB 0.109 68.972 68.868 -0.009 0.000 0.982 19 T HN 0.562 nan 8.240 nan 0.000 0.544 20 K N 3.646 124.058 120.400 0.021 0.000 2.459 20 K HA 0.169 4.488 4.320 -0.001 0.000 0.193 20 K C 0.533 177.166 176.600 0.055 0.000 1.030 20 K CA 0.248 56.556 56.287 0.034 0.000 1.026 20 K CB 0.082 32.600 32.500 0.029 0.000 0.809 20 K HN 0.539 nan 8.250 nan 0.000 0.504 21 L N 1.353 122.611 121.223 0.059 0.000 2.371 21 L HA 0.356 4.696 4.340 -0.001 0.000 0.272 21 L C 0.009 176.992 176.870 0.189 0.000 1.124 21 L CA -0.597 54.309 54.840 0.111 0.000 0.816 21 L CB 1.092 43.186 42.059 0.058 0.000 1.129 21 L HN -0.010 nan 8.230 nan 0.000 0.448 22 A N 4.078 127.073 122.820 0.291 0.000 2.520 22 A HA 0.763 5.083 4.320 -0.001 0.000 0.298 22 A C -2.682 175.100 177.584 0.329 0.000 1.051 22 A CA -1.511 50.708 52.037 0.304 0.000 0.690 22 A CB 1.639 20.735 19.000 0.160 0.000 1.281 22 A HN 0.402 nan 8.150 nan 0.000 0.402 23 P HA 0.138 nan 4.420 nan 0.000 0.268 23 P C 0.308 177.574 177.300 -0.056 0.000 1.189 23 P CA 0.695 63.761 63.100 -0.056 0.000 0.771 23 P CB 0.407 32.029 31.700 -0.129 0.000 0.822 24 T N -2.803 111.703 114.554 -0.080 0.000 2.883 24 T HA 0.248 4.598 4.350 -0.001 0.000 0.284 24 T C 0.856 175.525 174.700 -0.053 0.000 1.041 24 T CA -0.600 61.505 62.100 0.009 0.000 1.007 24 T CB 0.855 69.793 68.868 0.116 0.000 1.220 24 T HN 0.154 nan 8.240 nan 0.000 0.552 25 V N 0.634 120.488 119.914 -0.100 0.000 2.867 25 V HA 0.054 4.173 4.120 -0.001 0.000 0.260 25 V C 2.439 178.327 176.094 -0.344 0.000 1.099 25 V CA 2.316 64.478 62.300 -0.229 0.000 1.122 25 V CB -1.390 30.269 31.823 -0.273 0.000 0.708 25 V HN 1.014 nan 8.190 nan 0.000 0.490 26 A N -0.890 121.724 122.820 -0.344 0.000 1.970 26 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 26 A C 2.144 179.605 177.584 -0.205 0.000 1.170 26 A CA 1.277 53.114 52.037 -0.334 0.000 0.645 26 A CB -0.912 18.176 19.000 0.146 0.000 0.816 26 A HN 0.791 nan 8.150 nan 0.000 0.447 27 H N 0.614 119.557 119.070 -0.211 0.000 2.289 27 H HA -0.167 4.388 4.556 -0.002 0.000 0.296 27 H C 2.230 177.468 175.328 -0.150 0.000 1.091 27 H CA 2.124 58.048 56.048 -0.207 0.000 1.274 27 H CB -0.849 28.718 29.762 -0.325 0.000 1.364 27 H HN 0.340 nan 8.280 nan 0.000 0.490 28 G N -0.141 108.736 108.800 0.127 0.000 2.448 28 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.219 28 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.219 28 G C 1.966 176.821 174.900 -0.076 0.000 1.127 28 G CA 1.039 46.156 45.100 0.029 0.000 0.766 28 G HN 0.410 nan 8.290 nan 0.000 0.552 29 V N -0.185 119.577 119.914 -0.253 0.000 2.488 29 V HA 0.037 4.156 4.120 -0.001 0.000 0.246 29 V C 2.196 178.125 176.094 -0.276 0.000 1.046 29 V CA 1.077 63.140 62.300 -0.395 0.000 1.053 29 V CB -0.467 30.883 31.823 -0.788 0.000 0.679 29 V HN 0.281 nan 8.190 nan 0.000 0.458 30 F N -0.346 119.585 119.950 -0.032 0.000 2.582 30 F HA 0.285 4.811 4.527 -0.001 0.000 0.290 30 F C 1.208 176.998 175.800 -0.016 0.000 1.115 30 F CA -0.799 57.179 58.000 -0.037 0.000 1.445 30 F CB -1.211 37.748 39.000 -0.068 0.000 1.126 30 F HN 0.195 nan 8.300 nan 0.000 0.574 31 N N 1.450 120.236 118.700 0.142 0.000 2.666 31 N HA -0.157 4.582 4.740 -0.001 0.000 0.274 31 N C -2.661 172.920 175.510 0.119 0.000 1.043 31 N CA -0.327 52.790 53.050 0.112 0.000 0.782 31 N CB -0.974 37.576 38.487 0.105 0.000 0.912 31 N HN 0.132 nan 8.380 nan 0.000 0.556 32 P HA 0.104 nan 4.420 nan 0.000 0.278 32 P C -0.496 176.951 177.300 0.246 0.000 1.238 32 P CA 0.045 63.284 63.100 0.232 0.000 0.794 32 P CB 0.822 32.675 31.700 0.255 0.000 0.955 33 E N 1.576 121.891 120.200 0.191 0.000 1.972 33 E HA 0.269 4.618 4.350 -0.001 0.000 0.292 33 E C -1.197 175.153 176.600 -0.416 0.000 1.193 33 E CA -0.042 56.309 56.400 -0.082 0.000 1.228 33 E CB -0.642 28.965 29.700 -0.155 0.000 1.167 33 E HN 0.341 nan 8.360 nan 0.000 0.479 34 F N -0.381 119.581 119.950 0.021 0.000 2.670 34 F HA 0.401 4.927 4.527 -0.001 0.000 0.332 34 F C 0.295 176.062 175.800 -0.056 0.000 1.179 34 F CA -0.835 57.160 58.000 -0.009 0.000 1.076 34 F CB 1.863 40.878 39.000 0.025 0.000 1.322 34 F HN 0.136 nan 8.300 nan 0.000 0.515 35 G N 2.285 111.084 108.800 -0.001 0.000 2.680 35 G HA2 0.746 4.705 3.960 -0.001 0.000 0.290 35 G HA3 0.746 4.705 3.960 -0.001 0.000 0.290 35 G C -3.279 171.445 174.900 -0.293 0.000 1.355 35 G CA -2.179 42.778 45.100 -0.238 0.000 0.903 35 G HN 0.134 nan 8.290 nan 0.000 0.474 36 P HA 0.240 nan 4.420 nan 0.000 0.264 36 P C 0.426 177.642 177.300 -0.139 0.000 1.179 36 P CA 0.179 63.123 63.100 -0.259 0.000 0.763 36 P CB 0.570 32.146 31.700 -0.208 0.000 0.806 37 A N 3.181 125.943 122.820 -0.098 0.000 2.346 37 A HA 0.463 4.782 4.320 -0.001 0.000 0.255 37 A C 0.435 177.983 177.584 -0.061 0.000 1.113 37 A CA 0.136 52.131 52.037 -0.070 0.000 0.798 37 A CB -0.352 18.614 19.000 -0.056 0.000 1.073 37 A HN 0.580 nan 8.150 nan 0.000 0.502 38 A N -0.319 122.468 122.820 -0.055 0.000 2.409 38 A HA 0.526 4.845 4.320 -0.001 0.000 0.267 38 A C 0.089 177.646 177.584 -0.045 0.000 1.127 38 A CA -0.179 51.830 52.037 -0.047 0.000 0.795 38 A CB -0.340 18.632 19.000 -0.047 0.000 1.061 38 A HN 0.809 nan 8.150 nan 0.000 0.502 39 L N 2.148 123.348 121.223 -0.038 0.000 3.218 39 L HA 0.359 4.698 4.340 -0.001 0.000 0.279 39 L C 0.293 177.144 176.870 -0.030 0.000 1.287 39 L CA 0.256 55.072 54.840 -0.040 0.000 1.024 39 L CB 0.264 42.296 42.059 -0.045 0.000 1.409 39 L HN 0.629 nan 8.230 nan 0.000 0.580 40 S N 0.324 116.011 115.700 -0.021 0.000 2.467 40 S HA 0.031 4.500 4.470 -0.001 0.000 0.320 40 S C 0.572 175.166 174.600 -0.009 0.000 0.940 40 S CA -0.748 57.446 58.200 -0.010 0.000 0.896 40 S CB 0.329 63.522 63.200 -0.012 0.000 1.172 40 S HN 0.519 nan 8.310 nan 0.000 0.450 41 N N 2.797 121.497 118.700 0.000 0.000 2.588 41 N HA -0.148 4.591 4.740 -0.001 0.000 0.190 41 N C 1.433 176.941 175.510 -0.002 0.000 1.094 41 N CA 1.103 54.150 53.050 -0.004 0.000 0.921 41 N CB -0.227 38.264 38.487 0.005 0.000 0.959 41 N HN 0.636 nan 8.380 nan 0.000 0.448 42 K N 1.371 121.771 120.400 0.000 0.000 2.067 42 K HA -0.075 4.245 4.320 -0.001 0.000 0.203 42 K C 0.865 177.463 176.600 -0.004 0.000 1.048 42 K CA 0.777 57.064 56.287 -0.001 0.000 0.954 42 K CB -0.969 31.532 32.500 0.001 0.000 0.737 42 K HN 0.388 nan 8.250 nan 0.000 0.444 43 D N 1.366 121.762 120.400 -0.006 0.000 6.161 43 D HA -0.101 4.538 4.640 -0.001 0.000 0.164 43 D C -1.330 174.966 176.300 -0.006 0.000 1.183 43 D CA -0.285 53.711 54.000 -0.007 0.000 0.754 43 D CB 0.711 41.503 40.800 -0.013 0.000 1.406 43 D HN 0.220 nan 8.370 nan 0.000 0.807 44 P HA -0.244 nan 4.420 nan 0.000 0.206 44 P C 1.454 178.753 177.300 -0.002 0.000 1.142 44 P CA 1.031 64.131 63.100 -0.000 0.000 0.946 44 P CB 0.005 31.708 31.700 0.004 0.000 0.777 45 R N -0.613 119.887 120.500 0.001 0.000 2.261 45 R HA -0.193 4.146 4.340 -0.001 0.000 0.241 45 R C 1.201 177.496 176.300 -0.008 0.000 1.113 45 R CA 0.916 57.016 56.100 -0.000 0.000 0.908 45 R CB -1.712 28.589 30.300 0.001 0.000 0.938 45 R HN 0.199 nan 8.270 nan 0.000 0.427 46 L N 2.495 123.709 121.223 -0.014 0.000 4.444 46 L HA -0.224 4.115 4.340 -0.001 0.000 0.550 46 L C -0.123 176.737 176.870 -0.017 0.000 1.072 46 L CA -0.059 54.769 54.840 -0.020 0.000 0.526 46 L CB -0.115 41.933 42.059 -0.020 0.000 0.633 46 L HN 0.415 nan 8.230 nan 0.000 1.083 47 N N 4.021 122.710 118.700 -0.020 0.000 2.294 47 N HA -0.057 4.682 4.740 -0.001 0.000 0.248 47 N C 0.172 175.673 175.510 -0.015 0.000 1.242 47 N CA 0.293 53.333 53.050 -0.017 0.000 0.848 47 N CB 0.405 38.880 38.487 -0.020 0.000 1.084 47 N HN 0.495 nan 8.380 nan 0.000 0.457 48 E N 0.043 120.237 120.200 -0.011 0.000 2.374 48 E HA 0.197 4.546 4.350 -0.001 0.000 0.260 48 E C 0.498 177.092 176.600 -0.009 0.000 1.101 48 E CA 0.020 56.415 56.400 -0.009 0.000 0.907 48 E CB 0.481 30.177 29.700 -0.006 0.000 1.014 48 E HN 0.750 nan 8.360 nan 0.000 0.427 49 G N 1.223 110.018 108.800 -0.008 0.000 2.256 49 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.272 49 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.272 49 G C -0.425 174.467 174.900 -0.012 0.000 1.076 49 G CA 0.258 45.353 45.100 -0.008 0.000 0.882 49 G HN 0.296 nan 8.290 nan 0.000 0.497 50 V N -0.046 119.860 119.914 -0.014 0.000 2.532 50 V HA 0.419 4.538 4.120 -0.001 0.000 0.294 50 V C 0.215 176.296 176.094 -0.022 0.000 1.036 50 V CA -0.840 61.447 62.300 -0.022 0.000 0.876 50 V CB 2.079 33.885 31.823 -0.028 0.000 1.012 50 V HN 0.404 nan 8.190 nan 0.000 0.432 51 V N 6.120 126.020 119.914 -0.023 0.000 2.368 51 V HA 0.162 4.281 4.120 -0.001 0.000 0.266 51 V C 1.208 177.273 176.094 -0.049 0.000 1.045 51 V CA -0.152 62.135 62.300 -0.022 0.000 0.899 51 V CB 1.161 32.978 31.823 -0.009 0.000 1.006 51 V HN 0.823 nan 8.190 nan 0.000 0.470 52 L N 4.985 126.176 121.223 -0.053 0.000 2.127 52 L HA -0.166 4.173 4.340 -0.001 0.000 0.211 52 L C 2.147 178.918 176.870 -0.165 0.000 1.089 52 L CA 2.060 56.845 54.840 -0.091 0.000 0.757 52 L CB -0.630 41.389 42.059 -0.068 0.000 0.899 52 L HN 0.838 nan 8.230 nan 0.000 0.434 53 D N -1.610 118.695 120.400 -0.158 0.000 2.348 53 D HA -0.201 4.438 4.640 -0.001 0.000 0.216 53 D C 1.411 177.565 176.300 -0.243 0.000 0.970 53 D CA 0.813 54.623 54.000 -0.317 0.000 0.889 53 D CB -0.094 40.541 40.800 -0.276 0.000 0.912 53 D HN 0.578 nan 8.370 nan 0.000 0.524 54 E N 0.798 120.920 120.200 -0.129 0.000 2.028 54 E HA -0.103 4.246 4.350 -0.001 0.000 0.191 54 E C 2.415 178.945 176.600 -0.117 0.000 0.988 54 E CA 0.859 57.221 56.400 -0.063 0.000 0.799 54 E CB 0.137 29.812 29.700 -0.040 0.000 0.755 54 E HN 0.118 nan 8.360 nan 0.000 0.447 55 V N 1.415 121.224 119.914 -0.176 0.000 2.346 55 V HA -0.198 3.921 4.120 -0.001 0.000 0.244 55 V C 2.164 178.093 176.094 -0.275 0.000 1.037 55 V CA 0.846 63.044 62.300 -0.170 0.000 1.029 55 V CB -0.371 31.369 31.823 -0.139 0.000 0.663 55 V HN 0.267 nan 8.190 nan 0.000 0.454 56 I N 0.098 120.408 120.570 -0.433 0.000 2.292 56 I HA -0.301 3.868 4.170 -0.001 0.000 0.255 56 I C 1.775 177.407 176.117 -0.807 0.000 1.078 56 I CA 2.043 62.924 61.300 -0.698 0.000 1.365 56 I CB -1.087 36.310 38.000 -1.005 0.000 1.049 56 I HN 0.350 nan 8.210 nan 0.000 0.439 57 F N -1.029 118.796 119.950 -0.208 0.000 2.683 57 F HA 0.113 4.640 4.527 0.001 0.000 0.306 57 F C 1.925 177.641 175.800 -0.139 0.000 1.102 57 F CA 0.161 58.044 58.000 -0.195 0.000 1.244 57 F CB -0.023 38.906 39.000 -0.118 0.000 1.029 57 F HN -0.011 nan 8.300 nan 0.000 0.545 58 S N 0.270 115.954 115.700 -0.027 0.000 2.575 58 S HA -0.064 4.405 4.470 -0.001 0.000 0.215 58 S C 1.554 176.134 174.600 -0.033 0.000 0.966 58 S CA -0.103 58.090 58.200 -0.013 0.000 0.911 58 S CB -0.427 62.755 63.200 -0.031 0.000 0.780 58 S HN 0.561 nan 8.310 nan 0.000 0.514 59 K N 0.009 120.341 120.400 -0.113 0.000 2.444 59 K HA 0.101 4.420 4.320 -0.001 0.000 0.193 59 K C -0.244 176.337 176.600 -0.030 0.000 1.024 59 K CA -0.012 56.211 56.287 -0.108 0.000 1.077 59 K CB -0.201 32.194 32.500 -0.174 0.000 0.833 59 K HN 0.313 nan 8.250 nan 0.000 0.517 60 H N 2.296 121.399 119.070 0.055 0.000 2.638 60 H HA 0.223 4.777 4.556 -0.003 0.000 0.242 60 H C -0.527 174.821 175.328 0.034 0.000 1.610 60 H CA -0.446 55.632 56.048 0.049 0.000 1.275 60 H CB 0.877 30.677 29.762 0.063 0.000 1.583 60 H HN 0.213 nan 8.280 nan 0.000 0.556 61 K N 0.829 121.316 120.400 0.145 0.000 2.551 61 K HA 0.315 4.634 4.320 -0.001 0.000 0.204 61 K C 0.937 177.572 176.600 0.059 0.000 1.033 61 K CA 0.171 56.508 56.287 0.083 0.000 1.187 61 K CB 0.753 33.292 32.500 0.065 0.000 0.900 61 K HN 0.663 nan 8.250 nan 0.000 0.499 62 G N 1.765 110.597 108.800 0.054 0.000 2.416 62 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.203 62 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.203 62 G C -1.357 173.546 174.900 0.005 0.000 1.227 62 G CA -0.174 44.936 45.100 0.017 0.000 1.041 62 G HN 0.248 nan 8.290 nan 0.000 0.546 63 D N -0.499 119.895 120.400 -0.009 0.000 4.082 63 D HA 0.290 4.930 4.640 -0.001 0.000 0.255 63 D C 0.446 176.725 176.300 -0.036 0.000 1.427 63 D CA 0.636 54.620 54.000 -0.027 0.000 0.804 63 D CB -0.783 39.992 40.800 -0.042 0.000 1.364 63 D HN 0.804 nan 8.370 nan 0.000 0.809 64 T N 2.758 117.292 114.554 -0.033 0.000 2.274 64 T HA -0.165 4.185 4.350 -0.001 0.000 0.178 64 T C 0.501 175.162 174.700 -0.065 0.000 1.049 64 T CA 0.638 62.711 62.100 -0.047 0.000 1.255 64 T CB 0.155 68.988 68.868 -0.058 0.000 0.980 64 T HN 0.068 nan 8.240 nan 0.000 0.434 65 K N 3.238 123.607 120.400 -0.052 0.000 2.098 65 K HA 0.530 4.850 4.320 -0.001 0.000 0.257 65 K C 0.359 176.923 176.600 -0.060 0.000 0.999 65 K CA -0.419 55.834 56.287 -0.056 0.000 0.924 65 K CB 0.921 33.397 32.500 -0.039 0.000 1.028 65 K HN 0.586 nan 8.250 nan 0.000 0.466 66 M N 0.907 120.468 119.600 -0.064 0.000 2.253 66 M HA 0.157 4.636 4.480 -0.001 0.000 0.314 66 M C 0.215 176.501 176.300 -0.023 0.000 1.019 66 M CA -0.677 54.590 55.300 -0.055 0.000 0.932 66 M CB 1.999 34.539 32.600 -0.100 0.000 1.606 66 M HN 0.721 nan 8.290 nan 0.000 0.430 67 S N 2.337 118.035 115.700 -0.003 0.000 2.537 67 S HA 0.023 4.492 4.470 -0.001 0.000 0.280 67 S C 1.212 175.820 174.600 0.013 0.000 1.335 67 S CA 0.440 58.643 58.200 0.006 0.000 1.025 67 S CB 0.692 63.900 63.200 0.013 0.000 0.836 67 S HN 0.810 nan 8.310 nan 0.000 0.523 68 A N 2.240 125.067 122.820 0.012 0.000 1.933 68 A HA -0.021 4.298 4.320 -0.001 0.000 0.218 68 A C 2.009 179.612 177.584 0.032 0.000 1.175 68 A CA 1.708 53.757 52.037 0.020 0.000 0.628 68 A CB -0.965 18.043 19.000 0.014 0.000 0.814 68 A HN 0.953 nan 8.150 nan 0.000 0.444 69 E N 0.003 120.219 120.200 0.028 0.000 2.427 69 E HA -0.066 4.283 4.350 -0.001 0.000 0.196 69 E C 0.923 177.555 176.600 0.054 0.000 1.028 69 E CA 0.821 57.239 56.400 0.031 0.000 0.864 69 E CB 0.048 29.754 29.700 0.011 0.000 0.813 69 E HN 0.531 nan 8.360 nan 0.000 0.514 70 D N 0.131 120.579 120.400 0.080 0.000 2.271 70 D HA -0.015 4.624 4.640 -0.001 0.000 0.206 70 D C 1.336 177.770 176.300 0.224 0.000 0.967 70 D CA 0.582 54.683 54.000 0.168 0.000 0.867 70 D CB 0.129 41.035 40.800 0.178 0.000 0.960 70 D HN 0.085 nan 8.370 nan 0.000 0.509 71 K N 0.727 121.202 120.400 0.126 0.000 2.211 71 K HA 0.018 4.337 4.320 -0.001 0.000 0.203 71 K C 1.915 178.616 176.600 0.167 0.000 1.050 71 K CA 0.814 57.173 56.287 0.120 0.000 0.945 71 K CB 0.215 32.746 32.500 0.052 0.000 0.732 71 K HN -0.009 nan 8.250 nan 0.000 0.451 72 A N 1.087 123.985 122.820 0.131 0.000 1.878 72 A HA -0.060 4.259 4.320 -0.001 0.000 0.213 72 A C 2.015 179.673 177.584 0.123 0.000 1.192 72 A CA 0.518 52.620 52.037 0.108 0.000 0.619 72 A CB -0.401 18.638 19.000 0.065 0.000 0.837 72 A HN 0.206 nan 8.150 nan 0.000 0.446 73 L N -1.170 120.127 121.223 0.123 0.000 2.012 73 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 73 L C 2.173 179.179 176.870 0.226 0.000 1.073 73 L CA 2.458 57.357 54.840 0.098 0.000 0.748 73 L CB -0.823 41.236 42.059 0.001 0.000 0.891 73 L HN 0.413 nan 8.230 nan 0.000 0.431 74 F N 0.133 120.223 119.950 0.233 0.000 2.146 74 F HA -0.172 4.355 4.527 0.000 0.000 0.298 74 F C 2.753 178.623 175.800 0.117 0.000 1.096 74 F CA 1.804 59.946 58.000 0.236 0.000 1.275 74 F CB -0.244 38.821 39.000 0.108 0.000 1.008 74 F HN 0.071 nan 8.300 nan 0.000 0.480 75 R N 0.293 120.963 120.500 0.284 0.000 2.083 75 R HA -0.194 4.146 4.340 -0.001 0.000 0.237 75 R C 2.469 178.809 176.300 0.065 0.000 1.137 75 R CA 1.842 58.041 56.100 0.165 0.000 0.951 75 R CB -0.244 30.147 30.300 0.151 0.000 0.851 75 R HN 0.241 nan 8.270 nan 0.000 0.434 76 R N -0.385 120.153 120.500 0.062 0.000 2.082 76 R HA -0.162 4.177 4.340 -0.001 0.000 0.234 76 R C 2.512 178.812 176.300 -0.000 0.000 1.136 76 R CA 1.890 58.011 56.100 0.035 0.000 0.935 76 R CB -0.672 29.647 30.300 0.032 0.000 0.842 76 R HN 0.351 nan 8.270 nan 0.000 0.430 77 C N 0.081 119.360 119.300 -0.035 0.000 2.396 77 C HA -0.180 4.279 4.460 -0.001 0.000 0.277 77 C C 2.894 177.817 174.990 -0.112 0.000 1.231 77 C CA 0.925 59.899 59.018 -0.074 0.000 1.775 77 C CB -1.103 26.568 27.740 -0.116 0.000 2.036 77 C HN 0.625 nan 8.230 nan 0.000 0.484 78 A N 0.072 122.771 122.820 -0.201 0.000 1.898 78 A HA 0.236 4.555 4.320 -0.001 0.000 0.214 78 A C 2.335 179.908 177.584 -0.018 0.000 1.183 78 A CA 1.605 53.547 52.037 -0.159 0.000 0.622 78 A CB -0.796 18.078 19.000 -0.210 0.000 0.824 78 A HN 0.560 nan 8.150 nan 0.000 0.444 79 A N -0.298 122.533 122.820 0.018 0.000 2.067 79 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 79 A C 1.624 179.238 177.584 0.050 0.000 1.158 79 A CA 1.863 53.943 52.037 0.072 0.000 0.661 79 A CB -0.383 18.679 19.000 0.103 0.000 0.801 79 A HN 0.443 nan 8.150 nan 0.000 0.452 80 D N -2.135 118.283 120.400 0.031 0.000 2.197 80 D HA -0.025 4.614 4.640 -0.001 0.000 0.212 80 D C 1.629 177.936 176.300 0.012 0.000 0.963 80 D CA 1.069 55.084 54.000 0.025 0.000 0.864 80 D CB -0.403 40.416 40.800 0.031 0.000 1.009 80 D HN 0.552 nan 8.370 nan 0.000 0.479 81 Y N 1.416 121.662 120.300 -0.090 0.000 2.293 81 Y HA -0.063 4.487 4.550 -0.001 0.000 0.291 81 Y C 2.051 177.848 175.900 -0.171 0.000 1.137 81 Y CA 1.423 59.457 58.100 -0.110 0.000 1.202 81 Y CB -0.099 38.300 38.460 -0.101 0.000 0.990 81 Y HN -0.062 nan 8.280 nan 0.000 0.537 82 A N -1.017 121.703 122.820 -0.167 0.000 1.930 82 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 82 A C 2.456 179.787 177.584 -0.422 0.000 1.175 82 A CA 1.684 53.491 52.037 -0.384 0.000 0.627 82 A CB -1.245 17.602 19.000 -0.255 0.000 0.815 82 A HN 0.483 nan 8.150 nan 0.000 0.443 83 S N -0.565 115.028 115.700 -0.178 0.000 2.356 83 S HA -0.204 4.265 4.470 -0.001 0.000 0.223 83 S C 2.275 176.784 174.600 -0.152 0.000 1.032 83 S CA 1.789 59.947 58.200 -0.070 0.000 1.005 83 S CB -0.338 62.874 63.200 0.019 0.000 0.867 83 S HN 0.605 nan 8.310 nan 0.000 0.449 84 R N 1.107 121.474 120.500 -0.221 0.000 2.083 84 R HA -0.023 4.316 4.340 -0.001 0.000 0.237 84 R C 2.100 178.191 176.300 -0.348 0.000 1.137 84 R CA 1.837 57.783 56.100 -0.258 0.000 0.951 84 R CB -1.398 28.723 30.300 -0.298 0.000 0.851 84 R HN 0.439 nan 8.270 nan 0.000 0.434 85 L N 0.387 121.263 121.223 -0.578 0.000 1.971 85 L HA -0.182 4.158 4.340 -0.001 0.000 0.215 85 L C 1.758 178.379 176.870 -0.416 0.000 1.072 85 L CA 2.304 56.781 54.840 -0.605 0.000 0.758 85 L CB -0.907 40.658 42.059 -0.822 0.000 0.889 85 L HN 0.463 nan 8.230 nan 0.000 0.433 86 H N -2.189 116.728 119.070 -0.255 0.000 2.556 86 H HA 0.025 4.580 4.556 -0.001 0.000 0.268 86 H C 2.242 177.525 175.328 -0.075 0.000 0.996 86 H CA 0.596 56.549 56.048 -0.159 0.000 1.157 86 H CB 0.263 29.859 29.762 -0.276 0.000 1.355 86 H HN 0.369 nan 8.280 nan 0.000 0.597 87 S N -0.272 115.420 115.700 -0.013 0.000 2.348 87 S HA -0.090 4.379 4.470 -0.001 0.000 0.219 87 S C 2.214 176.810 174.600 -0.007 0.000 1.033 87 S CA 0.762 58.964 58.200 0.003 0.000 0.974 87 S CB -0.252 62.930 63.200 -0.030 0.000 0.868 87 S HN 0.215 nan 8.310 nan 0.000 0.459 88 V N 1.973 121.858 119.914 -0.048 0.000 2.515 88 V HA -0.003 4.116 4.120 -0.001 0.000 0.250 88 V C 1.959 178.047 176.094 -0.010 0.000 1.058 88 V CA 1.429 63.707 62.300 -0.038 0.000 1.064 88 V CB -0.484 31.298 31.823 -0.068 0.000 0.675 88 V HN 0.476 nan 8.190 nan 0.000 0.461 89 L N -0.793 120.436 121.223 0.010 0.000 2.554 89 L HA 0.457 4.796 4.340 -0.001 0.000 0.225 89 L C 1.249 178.169 176.870 0.082 0.000 1.104 89 L CA 0.537 55.406 54.840 0.048 0.000 0.866 89 L CB -0.502 41.608 42.059 0.084 0.000 1.047 89 L HN 0.490 nan 8.230 nan 0.000 0.468 90 G N 0.779 109.631 108.800 0.086 0.000 2.796 90 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.226 90 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.226 90 G C 0.236 175.175 174.900 0.065 0.000 1.381 90 G CA 0.023 45.163 45.100 0.067 0.000 0.867 90 G HN 0.152 nan 8.290 nan 0.000 0.552 91 T N -1.414 113.139 114.554 -0.001 0.000 3.380 91 T HA 0.646 4.995 4.350 -0.001 0.000 0.289 91 T C 0.681 175.308 174.700 -0.121 0.000 1.012 91 T CA 1.201 63.248 62.100 -0.089 0.000 0.944 91 T CB -0.589 68.257 68.868 -0.035 0.000 1.172 91 T HN 2.091 nan 8.240 nan 0.000 0.502 92 A N 2.089 124.861 122.820 -0.080 0.000 2.910 92 A HA 0.558 4.877 4.320 -0.001 0.000 0.316 92 A C 0.392 177.916 177.584 -0.099 0.000 1.493 92 A CA -0.651 51.342 52.037 -0.072 0.000 1.150 92 A CB -0.258 18.729 19.000 -0.023 0.000 1.159 92 A HN 0.519 nan 8.150 nan 0.000 0.526 93 N N 1.420 119.991 118.700 -0.214 0.000 2.497 93 N HA 0.231 4.970 4.740 -0.001 0.000 0.284 93 N C 0.178 175.606 175.510 -0.137 0.000 1.459 93 N CA 0.056 52.938 53.050 -0.280 0.000 0.899 93 N CB 1.177 39.091 38.487 -0.956 0.000 1.316 93 N HN 0.653 nan 8.380 nan 0.000 0.500 94 A N 1.600 124.393 122.820 -0.046 0.000 2.507 94 A HA 0.301 4.621 4.320 -0.001 0.000 0.235 94 A C -1.948 175.676 177.584 0.066 0.000 1.070 94 A CA -0.400 51.652 52.037 0.026 0.000 0.768 94 A CB -0.346 18.667 19.000 0.021 0.000 1.011 94 A HN 0.043 nan 8.150 nan 0.000 0.502 95 P HA 0.145 nan 4.420 nan 0.000 0.267 95 P C -0.543 176.784 177.300 0.044 0.000 1.195 95 P CA 0.012 63.144 63.100 0.053 0.000 0.773 95 P CB 0.280 32.017 31.700 0.061 0.000 0.837 96 L N 1.739 122.977 121.223 0.025 0.000 2.343 96 L HA 0.308 4.647 4.340 -0.001 0.000 0.275 96 L C 0.023 176.919 176.870 0.044 0.000 1.056 96 L CA 0.079 54.945 54.840 0.044 0.000 0.804 96 L CB 1.142 43.230 42.059 0.049 0.000 1.203 96 L HN 0.241 nan 8.230 nan 0.000 0.440 97 S N 4.280 120.022 115.700 0.070 0.000 2.505 97 S HA 0.252 4.721 4.470 -0.001 0.000 0.276 97 S C 1.788 176.450 174.600 0.104 0.000 1.274 97 S CA -0.438 57.816 58.200 0.089 0.000 1.053 97 S CB 0.355 63.620 63.200 0.110 0.000 0.919 97 S HN 0.554 nan 8.310 nan 0.000 0.490 98 I N 1.920 122.544 120.570 0.091 0.000 2.227 98 I HA -0.356 3.813 4.170 -0.001 0.000 0.250 98 I C 2.081 178.251 176.117 0.089 0.000 1.087 98 I CA 1.877 63.225 61.300 0.081 0.000 1.352 98 I CB -0.526 37.521 38.000 0.079 0.000 1.043 98 I HN 0.732 nan 8.210 nan 0.000 0.425 99 Y N 2.182 122.486 120.300 0.007 0.000 2.053 99 Y HA -0.342 4.207 4.550 -0.001 0.000 0.277 99 Y C 2.707 178.604 175.900 -0.005 0.000 1.159 99 Y CA 2.213 60.311 58.100 -0.005 0.000 1.125 99 Y CB -0.148 38.307 38.460 -0.009 0.000 0.969 99 Y HN 0.200 nan 8.280 nan 0.000 0.492 100 E N 0.452 120.728 120.200 0.128 0.000 2.023 100 E HA -0.295 4.054 4.350 -0.001 0.000 0.196 100 E C 2.486 179.083 176.600 -0.005 0.000 1.003 100 E CA 1.215 57.641 56.400 0.044 0.000 0.809 100 E CB -1.269 28.484 29.700 0.089 0.000 0.755 100 E HN 0.567 nan 8.360 nan 0.000 0.449 101 A N 1.464 124.298 122.820 0.024 0.000 2.023 101 A HA -0.244 4.075 4.320 -0.001 0.000 0.223 101 A C 2.325 179.912 177.584 0.005 0.000 1.180 101 A CA 2.044 54.097 52.037 0.026 0.000 0.659 101 A CB -0.828 18.193 19.000 0.036 0.000 0.817 101 A HN 0.295 nan 8.150 nan 0.000 0.466 102 I N -1.874 118.667 120.570 -0.048 0.000 2.628 102 I HA -0.014 4.155 4.170 -0.001 0.000 0.255 102 I C 2.912 178.938 176.117 -0.152 0.000 1.119 102 I CA 1.140 62.392 61.300 -0.080 0.000 1.448 102 I CB -0.278 37.651 38.000 -0.118 0.000 1.133 102 I HN 0.396 nan 8.210 nan 0.000 0.438 103 K N 1.412 121.663 120.400 -0.248 0.000 2.121 103 K HA 0.427 4.746 4.320 -0.001 0.000 0.203 103 K C 1.154 177.673 176.600 -0.134 0.000 1.041 103 K CA 0.983 57.081 56.287 -0.314 0.000 0.969 103 K CB -0.762 31.379 32.500 -0.598 0.000 0.799 103 K HN 0.525 nan 8.250 nan 0.000 0.456 104 G N -0.258 108.508 108.800 -0.058 0.000 3.355 104 G HA2 0.081 4.041 3.960 -0.001 0.000 0.686 104 G HA3 0.081 4.041 3.960 -0.001 0.000 0.686 104 G C -0.100 174.820 174.900 0.033 0.000 1.097 104 G CA -0.203 44.902 45.100 0.008 0.000 0.881 104 G HN 0.972 nan 8.290 nan 0.000 0.550 105 V N 2.123 122.072 119.914 0.058 0.000 3.843 105 V HA 0.285 4.404 4.120 -0.001 0.000 0.289 105 V C 0.813 176.943 176.094 0.060 0.000 1.065 105 V CA 0.698 63.036 62.300 0.065 0.000 1.079 105 V CB 0.559 32.425 31.823 0.072 0.000 1.192 105 V HN 0.754 nan 8.190 nan 0.000 0.464 106 D N 1.900 122.335 120.400 0.058 0.000 2.545 106 D HA 0.465 5.104 4.640 -0.001 0.000 0.227 106 D C 0.637 176.977 176.300 0.067 0.000 1.150 106 D CA 1.251 55.283 54.000 0.054 0.000 1.046 106 D CB 0.134 40.961 40.800 0.046 0.000 1.098 106 D HN 0.942 nan 8.370 nan 0.000 0.502 107 G N 0.855 109.700 108.800 0.076 0.000 2.425 107 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.177 107 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.177 107 G C -0.161 174.838 174.900 0.166 0.000 0.999 107 G CA -0.654 44.514 45.100 0.113 0.000 0.723 107 G HN 0.379 nan 8.290 nan 0.000 0.491 108 L N 2.997 124.298 121.223 0.129 0.000 2.337 108 L HA 0.616 4.955 4.340 -0.001 0.000 0.269 108 L C -0.399 176.514 176.870 0.070 0.000 1.018 108 L CA -0.911 54.011 54.840 0.136 0.000 0.876 108 L CB 0.402 42.545 42.059 0.140 0.000 1.236 108 L HN 0.160 nan 8.230 nan 0.000 0.436 109 D N 3.490 123.912 120.400 0.037 0.000 2.601 109 D HA 0.213 4.853 4.640 -0.001 0.000 0.229 109 D C 0.646 176.974 176.300 0.047 0.000 1.140 109 D CA 1.105 55.123 54.000 0.031 0.000 0.862 109 D CB 0.575 41.383 40.800 0.014 0.000 1.192 109 D HN 0.773 nan 8.370 nan 0.000 0.480 110 A N 2.800 125.647 122.820 0.046 0.000 2.521 110 A HA 0.067 4.386 4.320 -0.001 0.000 0.237 110 A C 0.456 178.106 177.584 0.109 0.000 1.087 110 A CA -0.070 51.998 52.037 0.052 0.000 0.777 110 A CB 0.046 19.067 19.000 0.036 0.000 1.035 110 A HN 0.623 nan 8.150 nan 0.000 0.510 111 M N 1.081 120.754 119.600 0.121 0.000 2.245 111 M HA 0.356 4.835 4.480 -0.001 0.000 0.344 111 M C 0.940 177.372 176.300 0.221 0.000 1.170 111 M CA 0.480 55.864 55.300 0.140 0.000 1.135 111 M CB 0.157 32.830 32.600 0.121 0.000 1.574 111 M HN 0.910 nan 8.290 nan 0.000 0.452 112 E N 4.474 124.731 120.200 0.094 0.000 2.366 112 E HA 0.167 4.516 4.350 -0.001 0.000 0.266 112 E C -2.189 174.300 176.600 -0.186 0.000 1.051 112 E CA -1.680 54.701 56.400 -0.031 0.000 0.884 112 E CB -0.458 29.206 29.700 -0.060 0.000 1.006 112 E HN 0.554 nan 8.360 nan 0.000 0.417 113 P HA -0.025 nan 4.420 nan 0.000 0.212 113 P C 1.000 178.107 177.300 -0.322 0.000 1.179 113 P CA 1.568 64.206 63.100 -0.769 0.000 0.898 113 P CB -0.250 30.599 31.700 -1.419 0.000 0.775 114 D N -0.804 119.431 120.400 -0.274 0.000 2.325 114 D HA 0.291 4.930 4.640 -0.001 0.000 0.234 114 D C 1.053 177.302 176.300 -0.085 0.000 1.122 114 D CA 0.747 54.660 54.000 -0.145 0.000 0.850 114 D CB -1.187 39.536 40.800 -0.127 0.000 0.921 114 D HN 0.432 nan 8.370 nan 0.000 0.513 115 T N -0.351 114.150 114.554 -0.088 0.000 2.910 115 T HA 0.639 4.988 4.350 -0.001 0.000 0.293 115 T C 0.954 175.632 174.700 -0.038 0.000 1.015 115 T CA 0.099 62.162 62.100 -0.062 0.000 1.094 115 T CB 0.640 69.469 68.868 -0.066 0.000 0.968 115 T HN 0.876 nan 8.240 nan 0.000 0.521 116 A N 3.520 126.308 122.820 -0.054 0.000 2.615 116 A HA 0.424 4.743 4.320 -0.001 0.000 0.230 116 A C -1.183 176.389 177.584 -0.020 0.000 1.062 116 A CA -0.212 51.795 52.037 -0.049 0.000 0.758 116 A CB -0.036 18.859 19.000 -0.175 0.000 0.995 116 A HN 0.675 nan 8.150 nan 0.000 0.511 117 P HA 0.268 nan 4.420 nan 0.000 0.282 117 P C 0.781 178.115 177.300 0.057 0.000 1.327 117 P CA 0.864 64.041 63.100 0.129 0.000 0.949 117 P CB 0.212 32.077 31.700 0.276 0.000 1.445 118 G N 0.991 109.764 108.800 -0.044 0.000 2.601 118 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.252 118 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.252 118 G C -0.903 173.871 174.900 -0.210 0.000 1.294 118 G CA -0.340 44.690 45.100 -0.117 0.000 0.912 118 G HN 0.280 nan 8.290 nan 0.000 0.574 119 L N 0.584 121.614 121.223 -0.321 0.000 2.334 119 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 119 L C -1.779 174.541 176.870 -0.916 0.000 1.020 119 L CA -1.939 52.652 54.840 -0.415 0.000 0.812 119 L CB 2.370 44.304 42.059 -0.208 0.000 1.264 119 L HN 0.353 nan 8.230 nan 0.000 0.439 120 P HA 0.079 nan 4.420 nan 0.000 0.244 120 P C 0.236 177.518 177.300 -0.030 0.000 1.632 120 P CA -0.011 62.880 63.100 -0.349 0.000 0.944 120 P CB -0.232 31.384 31.700 -0.139 0.000 1.569 121 W N -0.095 121.236 121.300 0.052 0.000 2.611 121 W HA 0.091 4.751 4.660 0.001 0.000 0.251 121 W C 1.569 178.113 176.519 0.041 0.000 1.265 121 W CA 0.023 57.394 57.345 0.042 0.000 1.295 121 W CB -0.516 28.965 29.460 0.036 0.000 1.129 121 W HN 0.067 nan 8.180 nan 0.000 0.630 122 A N -0.098 122.826 122.820 0.174 0.000 2.430 122 A HA 0.259 4.578 4.320 -0.001 0.000 0.243 122 A C 1.247 178.888 177.584 0.094 0.000 1.254 122 A CA -0.005 52.109 52.037 0.129 0.000 0.914 122 A CB -0.165 18.904 19.000 0.116 0.000 0.998 122 A HN 0.285 nan 8.150 nan 0.000 0.515 123 L N -0.746 120.530 121.223 0.088 0.000 2.791 123 L HA 0.264 4.603 4.340 -0.001 0.000 0.239 123 L C 0.498 177.418 176.870 0.084 0.000 1.203 123 L CA 0.492 55.372 54.840 0.066 0.000 1.002 123 L CB 0.061 42.143 42.059 0.038 0.000 1.295 123 L HN 0.526 nan 8.230 nan 0.000 0.504 124 Q N -0.651 119.215 119.800 0.109 0.000 1.748 124 Q HA 0.077 4.416 4.340 -0.001 0.000 0.172 124 Q C 0.455 176.523 176.000 0.113 0.000 0.810 124 Q CA -0.081 55.794 55.803 0.120 0.000 0.831 124 Q CB 1.133 29.978 28.738 0.180 0.000 1.249 124 Q HN 0.362 nan 8.270 nan 0.000 0.375 125 G N 3.079 111.938 108.800 0.098 0.000 2.528 125 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.231 125 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.231 125 G C -0.435 174.517 174.900 0.087 0.000 0.143 125 G CA 1.095 46.245 45.100 0.085 0.000 1.122 125 G HN 0.246 nan 8.290 nan 0.000 0.525 126 K N 0.303 120.766 120.400 0.105 0.000 2.583 126 K HA 0.825 5.144 4.320 -0.001 0.000 0.260 126 K C -0.087 176.572 176.600 0.099 0.000 0.931 126 K CA -0.648 55.688 56.287 0.082 0.000 0.849 126 K CB 0.898 33.436 32.500 0.063 0.000 1.347 126 K HN 0.886 nan 8.250 nan 0.000 0.425 127 R N 1.197 121.733 120.500 0.061 0.000 2.719 127 R HA 0.442 4.781 4.340 -0.001 0.000 0.233 127 R C 0.805 177.131 176.300 0.044 0.000 1.257 127 R CA -0.325 55.810 56.100 0.058 0.000 1.109 127 R CB -0.167 30.153 30.300 0.032 0.000 1.447 127 R HN 0.775 nan 8.270 nan 0.000 0.537 128 R N -0.261 120.261 120.500 0.037 0.000 2.240 128 R HA 0.023 4.362 4.340 -0.001 0.000 0.203 128 R C 2.157 178.469 176.300 0.020 0.000 1.011 128 R CA 0.988 57.108 56.100 0.033 0.000 1.007 128 R CB 0.128 30.451 30.300 0.039 0.000 0.911 128 R HN 0.836 nan 8.270 nan 0.000 0.468 129 G N 0.368 109.176 108.800 0.013 0.000 2.653 129 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.212 129 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.212 129 G C 1.062 175.965 174.900 0.005 0.000 1.138 129 G CA 0.682 45.794 45.100 0.022 0.000 0.782 129 G HN 0.351 nan 8.290 nan 0.000 0.535 130 A N -0.694 122.115 122.820 -0.018 0.000 2.431 130 A HA 0.570 4.890 4.320 -0.001 0.000 0.239 130 A C 1.428 178.956 177.584 -0.093 0.000 1.230 130 A CA 0.149 52.159 52.037 -0.045 0.000 0.928 130 A CB 0.334 19.308 19.000 -0.043 0.000 1.006 130 A HN 0.252 nan 8.150 nan 0.000 0.520 131 L N -1.402 119.761 121.223 -0.100 0.000 3.174 131 L HA 0.514 4.853 4.340 -0.001 0.000 0.283 131 L C -0.593 176.233 176.870 -0.073 0.000 1.187 131 L CA 0.579 55.333 54.840 -0.144 0.000 1.018 131 L CB 0.622 42.517 42.059 -0.273 0.000 1.433 131 L HN 0.144 nan 8.230 nan 0.000 0.593 132 I N -1.295 119.261 120.570 -0.023 0.000 2.827 132 I HA 0.283 4.453 4.170 -0.001 0.000 0.298 132 I C -0.906 175.235 176.117 0.041 0.000 1.235 132 I CA -0.318 60.989 61.300 0.013 0.000 1.021 132 I CB 2.205 40.228 38.000 0.039 0.000 1.259 132 I HN -0.167 nan 8.210 nan 0.000 0.427 133 D N 5.433 125.854 120.400 0.035 0.000 3.057 133 D HA 0.134 4.773 4.640 -0.001 0.000 0.246 133 D C 1.138 177.476 176.300 0.062 0.000 1.238 133 D CA -0.170 53.858 54.000 0.048 0.000 0.949 133 D CB -0.247 40.564 40.800 0.018 0.000 1.086 133 D HN 0.425 nan 8.370 nan 0.000 0.487 134 F N 2.244 122.175 119.950 -0.033 0.000 2.345 134 F HA -0.487 4.039 4.527 -0.001 0.000 0.276 134 F C 2.078 177.843 175.800 -0.059 0.000 1.160 134 F CA 3.220 61.196 58.000 -0.041 0.000 1.439 134 F CB -0.436 38.548 39.000 -0.027 0.000 0.847 134 F HN 0.251 nan 8.300 nan 0.000 0.525 135 E N -0.081 119.807 120.200 -0.520 0.000 2.489 135 E HA 0.198 4.547 4.350 -0.001 0.000 0.193 135 E C 1.307 177.742 176.600 -0.276 0.000 1.057 135 E CA 0.906 56.922 56.400 -0.641 0.000 0.866 135 E CB -1.894 27.619 29.700 -0.312 0.000 0.916 135 E HN 0.829 nan 8.360 nan 0.000 0.500 136 N N 0.070 118.675 118.700 -0.158 0.000 2.205 136 N HA 0.404 5.143 4.740 -0.001 0.000 0.201 136 N C 1.589 177.036 175.510 -0.104 0.000 1.128 136 N CA 0.514 53.518 53.050 -0.077 0.000 0.867 136 N CB 0.228 38.713 38.487 -0.004 0.000 0.996 136 N HN 1.087 nan 8.380 nan 0.000 0.503 137 G N 0.438 109.102 108.800 -0.227 0.000 2.172 137 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.244 137 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.244 137 G C -0.075 174.786 174.900 -0.064 0.000 0.743 137 G CA 0.892 45.854 45.100 -0.229 0.000 1.146 137 G HN 0.706 nan 8.290 nan 0.000 0.327 138 T N 1.509 116.051 114.554 -0.019 0.000 3.109 138 T HA 0.506 4.856 4.350 -0.001 0.000 0.311 138 T C 0.569 175.275 174.700 0.010 0.000 1.011 138 T CA 0.017 62.127 62.100 0.017 0.000 1.026 138 T CB 1.741 70.622 68.868 0.022 0.000 1.047 138 T HN 1.371 nan 8.240 nan 0.000 0.448 139 V N 2.222 122.144 119.914 0.013 0.000 3.319 139 V HA 0.944 5.064 4.120 -0.001 0.000 0.303 139 V C 0.817 176.900 176.094 -0.018 0.000 1.094 139 V CA 0.078 62.376 62.300 -0.004 0.000 1.106 139 V CB 0.655 32.477 31.823 -0.001 0.000 1.099 139 V HN 0.902 nan 8.190 nan 0.000 0.476 140 G N 0.372 109.145 108.800 -0.045 0.000 3.175 140 G HA2 0.606 4.565 3.960 -0.001 0.000 0.153 140 G HA3 0.606 4.565 3.960 -0.001 0.000 0.153 140 G C -1.798 173.060 174.900 -0.070 0.000 1.216 140 G CA -0.092 44.973 45.100 -0.059 0.000 0.943 140 G HN 0.615 nan 8.290 nan 0.000 0.611 141 P HA 0.028 nan 4.420 nan 0.000 0.212 141 P C 1.170 178.416 177.300 -0.091 0.000 1.179 141 P CA 1.306 64.358 63.100 -0.081 0.000 0.898 141 P CB 0.340 31.987 31.700 -0.088 0.000 0.775 142 E N -0.183 119.923 120.200 -0.156 0.000 2.158 142 E HA -0.055 4.295 4.350 -0.001 0.000 0.191 142 E C 1.989 178.539 176.600 -0.083 0.000 0.982 142 E CA 0.462 56.781 56.400 -0.135 0.000 0.823 142 E CB -0.978 28.549 29.700 -0.287 0.000 0.766 142 E HN -0.154 nan 8.360 nan 0.000 0.468 143 V N 1.120 120.957 119.914 -0.127 0.000 2.233 143 V HA -0.300 3.820 4.120 -0.001 0.000 0.247 143 V C 2.621 178.692 176.094 -0.039 0.000 1.050 143 V CA 2.750 65.020 62.300 -0.049 0.000 1.010 143 V CB -1.317 30.478 31.823 -0.047 0.000 0.637 143 V HN 0.578 nan 8.190 nan 0.000 0.444 144 E N -0.213 119.962 120.200 -0.041 0.000 2.204 144 E HA -0.161 4.189 4.350 -0.001 0.000 0.195 144 E C 2.128 178.708 176.600 -0.033 0.000 0.990 144 E CA 1.663 58.046 56.400 -0.028 0.000 0.821 144 E CB -0.787 28.901 29.700 -0.020 0.000 0.750 144 E HN 0.735 nan 8.360 nan 0.000 0.477 145 A N 0.318 123.119 122.820 -0.031 0.000 1.968 145 A HA 0.404 4.723 4.320 -0.001 0.000 0.217 145 A C 2.679 180.250 177.584 -0.023 0.000 1.169 145 A CA 1.877 53.905 52.037 -0.016 0.000 0.638 145 A CB -0.264 18.738 19.000 0.004 0.000 0.812 145 A HN 0.934 nan 8.150 nan 0.000 0.446 146 A N -0.990 121.804 122.820 -0.043 0.000 2.081 146 A HA 0.259 4.578 4.320 -0.001 0.000 0.214 146 A C 1.942 179.354 177.584 -0.286 0.000 1.158 146 A CA 0.795 52.752 52.037 -0.134 0.000 0.724 146 A CB -0.323 18.604 19.000 -0.121 0.000 0.826 146 A HN 0.381 nan 8.150 nan 0.000 0.463 147 L N 0.666 121.774 121.223 -0.192 0.000 1.970 147 L HA -0.186 4.153 4.340 -0.001 0.000 0.212 147 L C 2.269 179.019 176.870 -0.201 0.000 1.071 147 L CA 2.673 57.402 54.840 -0.185 0.000 0.751 147 L CB -1.154 40.880 42.059 -0.041 0.000 0.889 147 L HN 0.550 nan 8.230 nan 0.000 0.432 148 K N -0.563 119.771 120.400 -0.109 0.000 2.107 148 K HA -0.232 4.087 4.320 -0.001 0.000 0.211 148 K C 2.128 178.652 176.600 -0.127 0.000 1.049 148 K CA 1.925 58.160 56.287 -0.087 0.000 0.927 148 K CB -0.181 32.291 32.500 -0.046 0.000 0.714 148 K HN 0.405 nan 8.250 nan 0.000 0.452 149 L N -0.376 120.757 121.223 -0.151 0.000 2.109 149 L HA -0.100 4.239 4.340 -0.001 0.000 0.207 149 L C 2.550 179.304 176.870 -0.194 0.000 1.086 149 L CA 1.033 55.806 54.840 -0.112 0.000 0.760 149 L CB -0.244 41.818 42.059 0.005 0.000 0.910 149 L HN 0.251 nan 8.230 nan 0.000 0.437 150 M N -0.831 118.528 119.600 -0.402 0.000 2.334 150 M HA -0.086 4.393 4.480 -0.001 0.000 0.266 150 M C 1.979 177.941 176.300 -0.563 0.000 1.082 150 M CA 1.009 56.004 55.300 -0.508 0.000 1.141 150 M CB -0.111 32.024 32.600 -0.775 0.000 1.380 150 M HN 0.105 nan 8.290 nan 0.000 0.440 151 E N 0.619 120.533 120.200 -0.477 0.000 2.197 151 E HA -0.298 4.051 4.350 -0.001 0.000 0.205 151 E C 1.763 178.254 176.600 -0.182 0.000 1.029 151 E CA 1.492 57.794 56.400 -0.163 0.000 0.828 151 E CB -0.130 29.530 29.700 -0.067 0.000 0.737 151 E HN 0.381 nan 8.360 nan 0.000 0.464 152 K N -0.498 119.757 120.400 -0.241 0.000 2.379 152 K HA 0.062 4.381 4.320 -0.001 0.000 0.194 152 K C 0.103 176.474 176.600 -0.382 0.000 1.031 152 K CA 0.108 56.260 56.287 -0.225 0.000 1.037 152 K CB 0.392 32.805 32.500 -0.144 0.000 0.824 152 K HN -0.005 nan 8.250 nan 0.000 0.516 153 R N -0.218 119.876 120.500 -0.676 0.000 3.963 153 R HA -0.148 4.191 4.340 -0.001 0.000 0.394 153 R C -0.396 175.626 176.300 -0.464 0.000 1.131 153 R CA 0.893 56.277 56.100 -1.194 0.000 1.059 153 R CB -1.841 27.806 30.300 -1.088 0.000 1.614 153 R HN 0.217 nan 8.270 nan 0.000 0.546 154 E N 0.638 120.712 120.200 -0.211 0.000 2.663 154 E HA 0.138 4.487 4.350 -0.001 0.000 0.240 154 E C -1.367 175.301 176.600 0.114 0.000 1.227 154 E CA -0.264 56.120 56.400 -0.026 0.000 1.528 154 E CB 0.244 29.922 29.700 -0.036 0.000 1.472 154 E HN 0.228 nan 8.360 nan 0.000 0.433 155 Y N 0.054 120.397 120.300 0.073 0.000 2.524 155 Y HA 0.479 5.029 4.550 0.000 0.000 0.347 155 Y C -1.419 174.670 175.900 0.315 0.000 1.005 155 Y CA -0.732 57.483 58.100 0.192 0.000 1.025 155 Y CB 1.475 40.047 38.460 0.186 0.000 1.275 155 Y HN -0.084 nan 8.280 nan 0.000 0.460 156 K N 5.286 125.206 120.400 -0.799 0.000 2.598 156 K HA 0.533 4.852 4.320 -0.001 0.000 0.271 156 K C -1.857 174.360 176.600 -0.639 0.000 0.947 156 K CA -0.515 55.405 56.287 -0.612 0.000 0.854 156 K CB 2.200 34.515 32.500 -0.308 0.000 1.401 156 K HN 0.545 nan 8.250 nan 0.000 0.415 157 F N -0.866 118.821 119.950 -0.439 0.000 3.090 157 F HA 0.894 5.421 4.527 -0.000 0.000 0.324 157 F C -1.743 173.941 175.800 -0.193 0.000 1.189 157 F CA -1.261 56.540 58.000 -0.330 0.000 0.907 157 F CB 0.771 39.588 39.000 -0.305 0.000 1.445 157 F HN 0.499 nan 8.300 nan 0.000 0.500 158 A N -0.388 122.569 122.820 0.229 0.000 2.556 158 A HA 0.752 5.071 4.320 -0.001 0.000 0.294 158 A C -1.906 175.767 177.584 0.149 0.000 1.091 158 A CA -0.755 51.350 52.037 0.113 0.000 0.704 158 A CB 1.323 20.326 19.000 0.005 0.000 1.300 158 A HN 1.028 nan 8.150 nan 0.000 0.406 159 C N 0.720 120.088 119.300 0.113 0.000 2.351 159 C HA 0.605 5.064 4.460 -0.001 0.000 0.326 159 C C 0.344 175.434 174.990 0.166 0.000 1.272 159 C CA -0.240 58.860 59.018 0.136 0.000 1.650 159 C CB 0.901 28.758 27.740 0.195 0.000 2.257 159 C HN 0.871 nan 8.230 nan 0.000 0.505 160 Q N 2.587 122.463 119.800 0.127 0.000 2.566 160 Q HA 0.164 4.503 4.340 -0.001 0.000 0.221 160 Q C -0.018 176.145 176.000 0.273 0.000 1.195 160 Q CA 0.022 55.930 55.803 0.175 0.000 0.967 160 Q CB 0.369 29.185 28.738 0.129 0.000 1.337 160 Q HN 0.846 nan 8.270 nan 0.000 0.553 161 T N 3.415 118.157 114.554 0.315 0.000 2.872 161 T HA -0.065 4.284 4.350 -0.001 0.000 0.292 161 T C -0.582 174.399 174.700 0.468 0.000 1.036 161 T CA 0.961 63.270 62.100 0.347 0.000 1.136 161 T CB 0.051 69.157 68.868 0.398 0.000 1.052 161 T HN 0.370 nan 8.240 nan 0.000 0.512 162 F N 0.987 120.986 119.950 0.082 0.000 2.950 162 F HA 0.728 5.254 4.527 -0.002 0.000 0.327 162 F C -0.974 174.843 175.800 0.029 0.000 1.197 162 F CA -1.297 56.734 58.000 0.052 0.000 0.954 162 F CB 1.357 40.375 39.000 0.031 0.000 1.442 162 F HN 0.300 nan 8.300 nan 0.000 0.509 163 L N 1.499 122.807 121.223 0.141 0.000 2.455 163 L HA 0.425 4.764 4.340 -0.001 0.000 0.264 163 L C -1.047 175.869 176.870 0.077 0.000 0.968 163 L CA -0.912 53.957 54.840 0.048 0.000 0.827 163 L CB 2.344 44.382 42.059 -0.035 0.000 1.317 163 L HN 0.344 nan 8.230 nan 0.000 0.407 164 K N 1.863 122.291 120.400 0.048 0.000 2.231 164 K HA 0.125 4.444 4.320 -0.001 0.000 0.275 164 K C -0.764 175.843 176.600 0.012 0.000 1.105 164 K CA -0.423 55.892 56.287 0.045 0.000 0.931 164 K CB 0.687 33.203 32.500 0.027 0.000 1.296 164 K HN 0.448 nan 8.250 nan 0.000 0.446 165 D N 4.552 124.963 120.400 0.019 0.000 2.367 165 D HA -0.049 4.591 4.640 -0.001 0.000 0.255 165 D C -0.461 175.833 176.300 -0.009 0.000 1.300 165 D CA 0.310 54.308 54.000 -0.004 0.000 0.959 165 D CB 0.243 41.046 40.800 0.005 0.000 1.064 165 D HN 0.519 nan 8.370 nan 0.000 0.509 166 E N 2.638 122.819 120.200 -0.031 0.000 2.390 166 E HA 0.303 4.652 4.350 -0.001 0.000 0.280 166 E C -0.861 175.698 176.600 -0.068 0.000 0.992 166 E CA -0.946 55.432 56.400 -0.037 0.000 0.790 166 E CB 0.645 30.333 29.700 -0.019 0.000 1.248 166 E HN 0.204 nan 8.360 nan 0.000 0.447 167 I N 1.406 121.929 120.570 -0.078 0.000 2.720 167 I HA 0.350 4.519 4.170 -0.001 0.000 0.287 167 I C 0.432 176.558 176.117 0.015 0.000 1.090 167 I CA -0.326 60.922 61.300 -0.088 0.000 1.384 167 I CB 0.518 38.460 38.000 -0.097 0.000 1.420 167 I HN 0.412 nan 8.210 nan 0.000 0.575 168 R N 4.513 125.055 120.500 0.070 0.000 2.594 168 R HA 0.336 4.676 4.340 -0.001 0.000 0.265 168 R C -2.760 173.576 176.300 0.060 0.000 1.070 168 R CA -1.762 54.387 56.100 0.081 0.000 0.909 168 R CB 2.073 32.368 30.300 -0.009 0.000 1.243 168 R HN 0.262 nan 8.270 nan 0.000 0.455 169 P HA -0.073 nan 4.420 nan 0.000 0.264 169 P C 0.755 177.894 177.300 -0.268 0.000 1.179 169 P CA -0.137 62.672 63.100 -0.485 0.000 0.763 169 P CB 0.539 31.996 31.700 -0.405 0.000 0.806 170 M N 2.115 121.543 119.600 -0.286 0.000 2.195 170 M HA -0.173 4.306 4.480 -0.001 0.000 0.260 170 M C 1.583 177.817 176.300 -0.110 0.000 1.066 170 M CA 1.805 57.019 55.300 -0.144 0.000 1.089 170 M CB -1.211 31.322 32.600 -0.111 0.000 1.377 170 M HN 0.371 nan 8.290 nan 0.000 0.411 171 E N -0.875 119.248 120.200 -0.128 0.000 2.122 171 E HA -0.085 4.264 4.350 -0.001 0.000 0.190 171 E C 1.957 178.511 176.600 -0.077 0.000 0.977 171 E CA 0.549 56.895 56.400 -0.090 0.000 0.820 171 E CB -0.289 29.357 29.700 -0.091 0.000 0.770 171 E HN 0.463 nan 8.360 nan 0.000 0.462 172 K N 1.078 121.425 120.400 -0.087 0.000 2.097 172 K HA -0.036 4.283 4.320 -0.001 0.000 0.205 172 K C 2.312 178.873 176.600 -0.064 0.000 1.050 172 K CA 0.513 56.758 56.287 -0.069 0.000 0.938 172 K CB -0.333 32.128 32.500 -0.065 0.000 0.718 172 K HN -0.014 nan 8.250 nan 0.000 0.442 173 V N 1.640 121.513 119.914 -0.068 0.000 2.282 173 V HA -0.267 3.852 4.120 -0.001 0.000 0.249 173 V C 2.382 178.444 176.094 -0.053 0.000 1.057 173 V CA 1.793 64.056 62.300 -0.061 0.000 1.032 173 V CB -0.381 31.405 31.823 -0.061 0.000 0.645 173 V HN 0.324 nan 8.190 nan 0.000 0.447 174 R N -0.416 120.053 120.500 -0.051 0.000 2.153 174 R HA 0.067 4.407 4.340 -0.001 0.000 0.218 174 R C 2.214 178.489 176.300 -0.042 0.000 1.072 174 R CA 1.053 57.128 56.100 -0.042 0.000 0.990 174 R CB -0.371 29.907 30.300 -0.038 0.000 0.889 174 R HN 0.520 nan 8.270 nan 0.000 0.452 175 A N 0.662 123.453 122.820 -0.048 0.000 2.168 175 A HA 0.097 4.416 4.320 -0.001 0.000 0.215 175 A C 1.285 178.836 177.584 -0.055 0.000 1.152 175 A CA 0.898 52.906 52.037 -0.047 0.000 0.716 175 A CB -0.283 18.689 19.000 -0.047 0.000 0.794 175 A HN 0.423 nan 8.150 nan 0.000 0.465 176 G N -0.327 108.438 108.800 -0.059 0.000 2.298 176 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.287 176 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.287 176 G C 0.204 175.053 174.900 -0.086 0.000 1.075 176 G CA 0.343 45.401 45.100 -0.070 0.000 0.960 176 G HN 0.286 nan 8.290 nan 0.000 0.502 177 K N 0.839 121.193 120.400 -0.077 0.000 2.827 177 K HA 0.157 4.476 4.320 -0.001 0.000 0.222 177 K C 1.145 177.696 176.600 -0.080 0.000 1.114 177 K CA -0.016 56.223 56.287 -0.080 0.000 1.206 177 K CB 0.045 32.508 32.500 -0.062 0.000 1.035 177 K HN 0.455 nan 8.250 nan 0.000 0.464 178 T N 2.250 116.750 114.554 -0.090 0.000 2.933 178 T HA -0.011 4.338 4.350 -0.001 0.000 0.306 178 T C 0.672 175.321 174.700 -0.084 0.000 1.045 178 T CA 0.454 62.506 62.100 -0.081 0.000 1.143 178 T CB 0.532 69.349 68.868 -0.086 0.000 1.003 178 T HN 0.155 nan 8.240 nan 0.000 0.540 179 R N 2.817 123.284 120.500 -0.054 0.000 2.357 179 R HA 0.333 4.672 4.340 -0.001 0.000 0.296 179 R C 0.598 176.877 176.300 -0.035 0.000 1.052 179 R CA -0.704 55.368 56.100 -0.046 0.000 0.988 179 R CB 0.522 30.810 30.300 -0.021 0.000 1.025 179 R HN 0.533 nan 8.270 nan 0.000 0.469 180 I N 0.024 120.563 120.570 -0.052 0.000 2.713 180 I HA 0.430 4.599 4.170 -0.001 0.000 0.300 180 I C 0.071 176.200 176.117 0.021 0.000 1.009 180 I CA -0.917 60.366 61.300 -0.028 0.000 1.305 180 I CB 1.041 38.987 38.000 -0.091 0.000 1.430 180 I HN 0.179 nan 8.210 nan 0.000 0.546 181 V N 3.147 123.110 119.914 0.081 0.000 2.569 181 V HA 0.302 4.422 4.120 -0.001 0.000 0.301 181 V C -0.703 175.443 176.094 0.086 0.000 1.044 181 V CA -0.560 61.782 62.300 0.070 0.000 0.874 181 V CB 1.895 33.764 31.823 0.076 0.000 1.002 181 V HN 0.718 nan 8.190 nan 0.000 0.424 182 D N 3.598 124.034 120.400 0.060 0.000 2.392 182 D HA 0.404 5.043 4.640 -0.001 0.000 0.228 182 D C -0.640 175.679 176.300 0.032 0.000 1.074 182 D CA -0.033 54.030 54.000 0.105 0.000 0.838 182 D CB 2.340 43.252 40.800 0.185 0.000 1.067 182 D HN 0.245 nan 8.370 nan 0.000 0.511 183 V N 4.117 124.019 119.914 -0.020 0.000 2.465 183 V HA 0.238 4.357 4.120 -0.001 0.000 0.279 183 V C 0.318 176.357 176.094 -0.092 0.000 1.045 183 V CA -0.586 61.640 62.300 -0.124 0.000 0.938 183 V CB 1.491 33.158 31.823 -0.260 0.000 0.986 183 V HN 0.358 nan 8.190 nan 0.000 0.467 184 L N 7.841 128.979 121.223 -0.141 0.000 2.360 184 L HA 0.550 4.890 4.340 -0.001 0.000 0.271 184 L C -2.076 174.689 176.870 -0.175 0.000 1.057 184 L CA -1.761 52.958 54.840 -0.202 0.000 0.803 184 L CB 1.230 43.053 42.059 -0.394 0.000 1.207 184 L HN 0.428 nan 8.230 nan 0.000 0.445 185 P HA -0.054 nan 4.420 nan 0.000 0.266 185 P C 0.787 178.087 177.300 0.000 0.000 1.195 185 P CA 0.105 63.126 63.100 -0.131 0.000 0.768 185 P CB 0.883 32.491 31.700 -0.153 0.000 0.838 186 V N 3.132 123.119 119.914 0.123 0.000 2.759 186 V HA -0.197 3.922 4.120 -0.001 0.000 0.256 186 V C 2.127 178.316 176.094 0.160 0.000 1.080 186 V CA 1.996 64.380 62.300 0.140 0.000 1.101 186 V CB -1.028 30.913 31.823 0.197 0.000 0.698 186 V HN 0.615 nan 8.190 nan 0.000 0.477 187 E N -0.050 120.284 120.200 0.223 0.000 2.047 187 E HA -0.334 4.016 4.350 -0.001 0.000 0.191 187 E C 2.073 178.742 176.600 0.114 0.000 0.987 187 E CA 2.069 58.559 56.400 0.149 0.000 0.799 187 E CB -1.004 28.779 29.700 0.138 0.000 0.752 187 E HN 0.877 nan 8.360 nan 0.000 0.449 188 H N 1.286 120.329 119.070 -0.046 0.000 2.251 188 H HA -0.091 4.464 4.556 -0.002 0.000 0.294 188 H C 2.415 177.734 175.328 -0.016 0.000 1.078 188 H CA 2.020 58.017 56.048 -0.086 0.000 1.246 188 H CB -0.134 29.441 29.762 -0.311 0.000 1.358 188 H HN 0.078 nan 8.280 nan 0.000 0.488 189 I N 0.913 121.554 120.570 0.117 0.000 2.462 189 I HA -0.293 3.876 4.170 -0.001 0.000 0.259 189 I C 2.431 178.610 176.117 0.103 0.000 1.156 189 I CA 0.563 61.891 61.300 0.046 0.000 1.417 189 I CB -0.141 37.850 38.000 -0.015 0.000 1.088 189 I HN 0.487 nan 8.210 nan 0.000 0.442 190 L N -0.554 120.748 121.223 0.130 0.000 2.121 190 L HA -0.183 4.156 4.340 -0.001 0.000 0.200 190 L C 2.478 179.432 176.870 0.141 0.000 1.077 190 L CA 1.762 56.672 54.840 0.116 0.000 0.766 190 L CB -1.025 41.098 42.059 0.107 0.000 0.931 190 L HN 0.162 nan 8.230 nan 0.000 0.452 191 Y N 1.663 121.977 120.300 0.023 0.000 2.069 191 Y HA -0.331 4.218 4.550 -0.001 0.000 0.278 191 Y C 2.674 178.587 175.900 0.021 0.000 1.175 191 Y CA 2.680 60.778 58.100 -0.003 0.000 1.134 191 Y CB -0.794 37.636 38.460 -0.050 0.000 0.965 191 Y HN 0.248 nan 8.280 nan 0.000 0.498 192 T N 0.360 114.995 114.554 0.135 0.000 2.653 192 T HA -0.300 4.049 4.350 -0.001 0.000 0.268 192 T C 1.858 176.560 174.700 0.002 0.000 1.035 192 T CA 2.264 64.397 62.100 0.054 0.000 1.154 192 T CB -0.328 68.623 68.868 0.139 0.000 0.862 192 T HN 0.363 nan 8.240 nan 0.000 0.441 193 R N 0.321 120.844 120.500 0.037 0.000 2.148 193 R HA 0.125 4.464 4.340 -0.001 0.000 0.227 193 R C 2.546 178.855 176.300 0.015 0.000 1.103 193 R CA 1.088 57.216 56.100 0.047 0.000 0.983 193 R CB -0.340 29.998 30.300 0.062 0.000 0.874 193 R HN 0.440 nan 8.270 nan 0.000 0.451 194 M N -0.390 119.178 119.600 -0.054 0.000 2.077 194 M HA -0.119 4.360 4.480 -0.001 0.000 0.261 194 M C 2.199 178.415 176.300 -0.139 0.000 1.070 194 M CA 1.478 56.715 55.300 -0.105 0.000 1.125 194 M CB -0.183 32.309 32.600 -0.180 0.000 1.339 194 M HN 0.074 nan 8.290 nan 0.000 0.409 195 M N 0.464 119.905 119.600 -0.264 0.000 2.065 195 M HA -0.100 4.380 4.480 -0.001 0.000 0.259 195 M C 1.891 178.222 176.300 0.051 0.000 1.069 195 M CA 1.757 56.931 55.300 -0.211 0.000 1.110 195 M CB -0.885 31.537 32.600 -0.297 0.000 1.328 195 M HN 0.417 nan 8.290 nan 0.000 0.405 196 I N -3.570 117.044 120.570 0.073 0.000 3.654 196 I HA 0.416 4.585 4.170 -0.001 0.000 0.337 196 I C 1.337 177.631 176.117 0.295 0.000 1.568 196 I CA -0.211 61.247 61.300 0.263 0.000 1.115 196 I CB -0.358 37.713 38.000 0.118 0.000 1.300 196 I HN 0.037 nan 8.210 nan 0.000 0.471 197 G N 1.088 110.002 108.800 0.191 0.000 2.448 197 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.218 197 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.218 197 G C 1.679 176.682 174.900 0.173 0.000 1.135 197 G CA 0.225 45.422 45.100 0.163 0.000 0.784 197 G HN 0.408 nan 8.290 nan 0.000 0.543 198 R N -1.129 119.491 120.500 0.199 0.000 2.173 198 R HA 0.203 4.543 4.340 -0.001 0.000 0.208 198 R C 1.983 178.407 176.300 0.207 0.000 1.035 198 R CA 0.139 56.334 56.100 0.159 0.000 1.004 198 R CB -0.347 30.023 30.300 0.116 0.000 0.917 198 R HN 0.300 nan 8.270 nan 0.000 0.462 199 F N 0.274 120.329 119.950 0.177 0.000 2.075 199 F HA -0.276 4.250 4.527 -0.001 0.000 0.297 199 F C 1.838 177.701 175.800 0.104 0.000 1.113 199 F CA 1.521 59.658 58.000 0.229 0.000 1.218 199 F CB -0.661 38.648 39.000 0.515 0.000 0.984 199 F HN 0.003 nan 8.300 nan 0.000 0.472 200 C N 0.741 120.035 119.300 -0.011 0.000 2.422 200 C HA -0.045 4.414 4.460 -0.001 0.000 0.279 200 C C 3.123 177.851 174.990 -0.437 0.000 1.305 200 C CA 0.834 59.646 59.018 -0.343 0.000 1.757 200 C CB -2.019 25.658 27.740 -0.105 0.000 1.962 200 C HN 0.653 nan 8.230 nan 0.000 0.499 201 A N 0.202 122.966 122.820 -0.095 0.000 1.845 201 A HA -0.253 4.066 4.320 -0.001 0.000 0.215 201 A C 2.077 179.641 177.584 -0.034 0.000 1.195 201 A CA 2.036 54.090 52.037 0.028 0.000 0.616 201 A CB -0.788 18.257 19.000 0.076 0.000 0.832 201 A HN 0.534 nan 8.150 nan 0.000 0.443 202 Q N -1.168 118.591 119.800 -0.069 0.000 2.096 202 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 202 Q C 2.183 178.092 176.000 -0.152 0.000 0.982 202 Q CA 1.815 57.576 55.803 -0.071 0.000 0.850 202 Q CB -0.284 28.433 28.738 -0.034 0.000 0.901 202 Q HN 0.607 nan 8.270 nan 0.000 0.422 203 M N -0.811 118.583 119.600 -0.344 0.000 2.073 203 M HA -0.247 4.232 4.480 -0.001 0.000 0.258 203 M C 1.991 178.198 176.300 -0.155 0.000 1.070 203 M CA 2.036 57.119 55.300 -0.362 0.000 1.103 203 M CB -1.174 31.056 32.600 -0.617 0.000 1.321 203 M HN 0.460 nan 8.290 nan 0.000 0.405 204 H N -0.342 118.687 119.070 -0.069 0.000 2.319 204 H HA -0.105 4.450 4.556 -0.002 0.000 0.297 204 H C 2.057 177.399 175.328 0.024 0.000 1.097 204 H CA 1.788 57.831 56.048 -0.008 0.000 1.285 204 H CB -0.101 29.666 29.762 0.008 0.000 1.368 204 H HN 0.480 nan 8.280 nan 0.000 0.495 205 S N -0.316 115.456 115.700 0.121 0.000 2.605 205 S HA 0.075 4.544 4.470 -0.001 0.000 0.217 205 S C 0.933 175.572 174.600 0.065 0.000 0.958 205 S CA -0.178 58.077 58.200 0.092 0.000 0.919 205 S CB 0.247 63.491 63.200 0.073 0.000 0.780 205 S HN 0.385 nan 8.310 nan 0.000 0.507 206 N N 2.167 120.893 118.700 0.043 0.000 2.197 206 N HA 0.101 4.840 4.740 -0.001 0.000 0.228 206 N C -0.446 175.100 175.510 0.060 0.000 1.212 206 N CA -0.106 52.967 53.050 0.038 0.000 0.883 206 N CB 0.272 38.760 38.487 0.001 0.000 1.107 206 N HN 0.727 nan 8.380 nan 0.000 0.519 207 N N 0.864 119.624 118.700 0.101 0.000 2.265 207 N HA 0.191 4.930 4.740 -0.001 0.000 0.231 207 N C 0.527 176.156 175.510 0.198 0.000 1.266 207 N CA 0.714 53.854 53.050 0.150 0.000 0.862 207 N CB 0.432 39.060 38.487 0.235 0.000 1.100 207 N HN 0.080 nan 8.380 nan 0.000 0.439 208 G N -0.537 108.365 108.800 0.168 0.000 2.326 208 G HA2 0.070 4.029 3.960 -0.001 0.000 0.413 208 G HA3 0.070 4.029 3.960 -0.001 0.000 0.413 208 G C -2.653 172.189 174.900 -0.097 0.000 1.444 208 G CA -0.650 44.504 45.100 0.089 0.000 1.002 208 G HN 0.429 nan 8.290 nan 0.000 0.649 209 P HA -0.009 nan 4.420 nan 0.000 0.225 209 P C 1.737 178.948 177.300 -0.147 0.000 1.156 209 P CA 1.232 64.188 63.100 -0.240 0.000 0.787 209 P CB 0.145 31.537 31.700 -0.513 0.000 0.802 210 Q N 0.125 119.848 119.800 -0.129 0.000 2.112 210 Q HA -0.153 4.186 4.340 -0.001 0.000 0.206 210 Q C 1.614 177.573 176.000 -0.067 0.000 0.987 210 Q CA 1.235 56.987 55.803 -0.084 0.000 0.858 210 Q CB -0.767 27.933 28.738 -0.063 0.000 0.905 210 Q HN 0.321 nan 8.270 nan 0.000 0.420 211 I N -2.619 117.923 120.570 -0.046 0.000 3.928 211 I HA 0.358 4.527 4.170 -0.001 0.000 0.335 211 I C 0.980 177.166 176.117 0.115 0.000 1.325 211 I CA 0.720 61.998 61.300 -0.037 0.000 1.107 211 I CB -0.707 37.244 38.000 -0.081 0.000 1.014 211 I HN 0.286 nan 8.210 nan 0.000 0.400 212 G N 1.761 110.609 108.800 0.079 0.000 2.244 212 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.274 212 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.274 212 G C 0.319 175.266 174.900 0.078 0.000 1.002 212 G CA 0.847 46.003 45.100 0.094 0.000 0.740 212 G HN 0.847 nan 8.290 nan 0.000 0.516 213 S N -0.957 114.782 115.700 0.064 0.000 2.473 213 S HA 0.763 5.233 4.470 -0.001 0.000 0.307 213 S C 0.847 175.504 174.600 0.095 0.000 1.094 213 S CA 0.498 58.738 58.200 0.068 0.000 1.070 213 S CB 1.746 64.972 63.200 0.043 0.000 1.019 213 S HN 1.467 nan 8.310 nan 0.000 0.480 214 A N 3.729 126.659 122.820 0.183 0.000 2.348 214 A HA 0.388 4.707 4.320 -0.001 0.000 0.224 214 A C 0.795 178.555 177.584 0.293 0.000 1.227 214 A CA 0.178 52.430 52.037 0.359 0.000 0.885 214 A CB -0.647 18.751 19.000 0.662 0.000 0.933 214 A HN 1.376 nan 8.150 nan 0.000 0.506 215 V N -2.348 117.538 119.914 -0.047 0.000 2.763 215 V HA 0.541 4.660 4.120 -0.001 0.000 0.306 215 V C 1.108 177.315 176.094 0.188 0.000 1.059 215 V CA 0.514 62.701 62.300 -0.188 0.000 1.138 215 V CB 0.331 32.003 31.823 -0.251 0.000 0.940 215 V HN 1.540 nan 8.190 nan 0.000 0.489 216 G N 1.937 110.863 108.800 0.211 0.000 2.194 216 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.236 216 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.236 216 G C 0.613 175.629 174.900 0.194 0.000 0.987 216 G CA 0.454 45.655 45.100 0.170 0.000 0.635 216 G HN 2.099 nan 8.290 nan 0.000 0.520 217 C N -0.306 119.168 119.300 0.289 0.000 2.396 217 C HA 0.829 5.288 4.460 -0.001 0.000 0.359 217 C C 0.503 175.612 174.990 0.199 0.000 1.307 217 C CA -0.759 58.431 59.018 0.287 0.000 2.392 217 C CB 1.577 29.603 27.740 0.476 0.000 2.245 217 C HN 0.450 nan 8.230 nan 0.000 0.615 218 N N 1.353 120.140 118.700 0.146 0.000 2.706 218 N HA 0.367 5.107 4.740 -0.001 0.000 0.240 218 N C -2.026 173.515 175.510 0.052 0.000 1.039 218 N CA -1.882 51.211 53.050 0.072 0.000 0.888 218 N CB 1.014 39.532 38.487 0.053 0.000 1.128 218 N HN 0.430 nan 8.380 nan 0.000 0.512 219 P HA -0.113 nan 4.420 nan 0.000 0.225 219 P C 0.292 177.400 177.300 -0.320 0.000 1.141 219 P CA 1.164 64.099 63.100 -0.275 0.000 0.774 219 P CB 0.459 31.803 31.700 -0.593 0.000 0.760 220 D N -1.898 118.457 120.400 -0.074 0.000 2.380 220 D HA -0.052 4.587 4.640 -0.001 0.000 0.212 220 D C 1.556 178.000 176.300 0.239 0.000 1.021 220 D CA 0.465 54.496 54.000 0.053 0.000 0.884 220 D CB 0.182 41.054 40.800 0.120 0.000 1.001 220 D HN 0.014 nan 8.370 nan 0.000 0.506 221 V N -2.448 117.547 119.914 0.136 0.000 3.212 221 V HA 0.208 4.327 4.120 -0.001 0.000 0.244 221 V C 1.330 177.468 176.094 0.074 0.000 1.151 221 V CA 0.513 62.866 62.300 0.088 0.000 1.119 221 V CB 0.028 31.853 31.823 0.004 0.000 0.838 221 V HN -0.171 nan 8.190 nan 0.000 0.470 222 D N -0.107 120.301 120.400 0.015 0.000 2.224 222 D HA -0.106 4.533 4.640 -0.001 0.000 0.205 222 D C 1.796 177.889 176.300 -0.344 0.000 0.965 222 D CA 1.140 54.964 54.000 -0.295 0.000 0.852 222 D CB -0.297 40.284 40.800 -0.364 0.000 0.947 222 D HN 0.651 nan 8.370 nan 0.000 0.494 223 W N 1.112 122.307 121.300 -0.175 0.000 2.359 223 W HA -0.245 4.414 4.660 -0.002 0.000 0.275 223 W C 2.178 178.868 176.519 0.286 0.000 1.217 223 W CA 0.711 58.131 57.345 0.126 0.000 1.196 223 W CB 0.253 29.761 29.460 0.079 0.000 1.129 223 W HN 0.087 nan 8.180 nan 0.000 0.566 224 Q N 0.314 120.337 119.800 0.371 0.000 2.089 224 Q HA -0.072 4.267 4.340 -0.001 0.000 0.195 224 Q C 2.199 178.349 176.000 0.250 0.000 0.963 224 Q CA 1.304 57.351 55.803 0.407 0.000 0.834 224 Q CB -0.690 28.298 28.738 0.418 0.000 0.906 224 Q HN 0.002 nan 8.270 nan 0.000 0.452 225 R N -0.664 119.903 120.500 0.112 0.000 2.113 225 R HA -0.165 4.174 4.340 -0.001 0.000 0.244 225 R C 1.974 178.459 176.300 0.308 0.000 1.142 225 R CA 1.813 58.000 56.100 0.144 0.000 0.953 225 R CB -0.377 29.946 30.300 0.038 0.000 0.860 225 R HN 0.314 nan 8.270 nan 0.000 0.438 226 F N -0.788 119.241 119.950 0.133 0.000 2.118 226 F HA 0.089 4.616 4.527 -0.001 0.000 0.293 226 F C 2.618 178.317 175.800 -0.168 0.000 1.102 226 F CA 0.807 58.832 58.000 0.043 0.000 1.247 226 F CB -1.574 37.421 39.000 -0.008 0.000 1.017 226 F HN 0.106 nan 8.300 nan 0.000 0.475 227 G N 0.234 108.884 108.800 -0.249 0.000 2.513 227 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.219 227 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.219 227 G C 1.646 176.269 174.900 -0.461 0.000 1.160 227 G CA 2.209 46.712 45.100 -0.996 0.000 0.767 227 G HN 0.421 nan 8.290 nan 0.000 0.571 228 T N -1.391 113.174 114.554 0.018 0.000 2.737 228 T HA -0.132 4.217 4.350 -0.001 0.000 0.265 228 T C 2.024 176.808 174.700 0.140 0.000 1.038 228 T CA 1.570 63.788 62.100 0.196 0.000 1.144 228 T CB -0.565 68.430 68.868 0.212 0.000 0.866 228 T HN 0.479 nan 8.240 nan 0.000 0.434 229 H N 0.893 120.018 119.070 0.091 0.000 2.265 229 H HA -0.070 4.485 4.556 -0.001 0.000 0.295 229 H C 1.661 177.036 175.328 0.080 0.000 1.084 229 H CA 1.894 57.988 56.048 0.077 0.000 1.261 229 H CB -0.726 29.086 29.762 0.082 0.000 1.360 229 H HN 0.369 nan 8.280 nan 0.000 0.487 230 F N -0.239 119.700 119.950 -0.019 0.000 2.604 230 F HA 0.080 4.607 4.527 -0.001 0.000 0.298 230 F C 2.401 178.162 175.800 -0.064 0.000 1.131 230 F CA 0.749 58.683 58.000 -0.110 0.000 1.457 230 F CB -0.083 38.736 39.000 -0.302 0.000 1.095 230 F HN 0.328 nan 8.300 nan 0.000 0.574 231 A N -0.899 121.969 122.820 0.080 0.000 2.251 231 A HA -0.013 4.306 4.320 -0.001 0.000 0.209 231 A C 1.682 179.277 177.584 0.018 0.000 1.187 231 A CA 0.162 52.240 52.037 0.068 0.000 0.823 231 A CB -0.503 18.567 19.000 0.117 0.000 0.846 231 A HN 0.396 nan 8.150 nan 0.000 0.486 232 Q N -0.980 118.793 119.800 -0.045 0.000 2.373 232 Q HA 0.121 4.460 4.340 -0.001 0.000 0.206 232 Q C -1.199 174.528 176.000 -0.456 0.000 0.942 232 Q CA 0.327 55.976 55.803 -0.256 0.000 0.953 232 Q CB -0.018 28.460 28.738 -0.432 0.000 1.022 232 Q HN 0.750 nan 8.270 nan 0.000 0.502 233 Y N -1.646 118.559 120.300 -0.158 0.000 2.524 233 Y HA 0.297 4.846 4.550 -0.001 0.000 0.347 233 Y C 0.756 176.591 175.900 -0.109 0.000 1.005 233 Y CA -1.050 56.964 58.100 -0.143 0.000 1.025 233 Y CB 1.319 39.684 38.460 -0.158 0.000 1.275 233 Y HN -0.202 nan 8.280 nan 0.000 0.460 234 R N 0.590 121.122 120.500 0.053 0.000 2.153 234 R HA 0.070 4.409 4.340 -0.001 0.000 0.218 234 R C -0.494 175.773 176.300 -0.055 0.000 1.072 234 R CA 0.787 56.880 56.100 -0.012 0.000 0.990 234 R CB 0.021 30.305 30.300 -0.026 0.000 0.889 234 R HN 0.628 nan 8.270 nan 0.000 0.452 235 N N -0.001 118.647 118.700 -0.085 0.000 2.258 235 N HA 0.346 5.085 4.740 -0.001 0.000 0.299 235 N C -1.728 173.503 175.510 -0.466 0.000 1.047 235 N CA -0.513 52.306 53.050 -0.385 0.000 0.814 235 N CB 3.133 41.261 38.487 -0.597 0.000 1.413 235 N HN -0.225 nan 8.380 nan 0.000 0.478 236 V N 2.227 121.806 119.914 -0.558 0.000 2.524 236 V HA 0.404 4.523 4.120 -0.001 0.000 0.297 236 V C -0.796 175.032 176.094 -0.443 0.000 1.035 236 V CA -0.799 61.320 62.300 -0.302 0.000 0.867 236 V CB 1.293 33.065 31.823 -0.084 0.000 1.004 236 V HN 0.632 nan 8.190 nan 0.000 0.426 237 W N 1.845 123.036 121.300 -0.181 0.000 2.512 237 W HA 0.452 5.111 4.660 -0.001 0.000 0.335 237 W C -0.194 176.179 176.519 -0.244 0.000 1.088 237 W CA -0.490 56.676 57.345 -0.298 0.000 1.236 237 W CB 1.754 30.832 29.460 -0.637 0.000 1.307 237 W HN 0.491 nan 8.180 nan 0.000 0.567 238 D N 2.491 122.901 120.400 0.015 0.000 2.454 238 D HA 0.307 4.947 4.640 -0.001 0.000 0.225 238 D C -0.715 175.592 176.300 0.012 0.000 1.081 238 D CA -0.083 53.912 54.000 -0.009 0.000 0.864 238 D CB 1.360 42.154 40.800 -0.010 0.000 1.040 238 D HN -0.075 nan 8.370 nan 0.000 0.517 239 V N 3.320 123.240 119.914 0.009 0.000 2.617 239 V HA 0.357 4.476 4.120 -0.001 0.000 0.298 239 V C 0.448 176.525 176.094 -0.027 0.000 1.048 239 V CA -0.717 61.589 62.300 0.009 0.000 0.964 239 V CB 1.941 33.685 31.823 -0.133 0.000 1.004 239 V HN 0.440 nan 8.190 nan 0.000 0.466 240 D N 1.345 121.712 120.400 -0.054 0.000 2.391 240 D HA 0.397 5.037 4.640 -0.001 0.000 0.245 240 D C -0.599 175.658 176.300 -0.071 0.000 1.069 240 D CA -0.163 53.829 54.000 -0.013 0.000 0.831 240 D CB 2.171 42.971 40.800 -0.001 0.000 1.204 240 D HN 0.463 nan 8.370 nan 0.000 0.503 241 Y N 1.166 121.475 120.300 0.016 0.000 3.041 241 Y HA 0.187 4.736 4.550 -0.002 0.000 0.506 241 Y C 0.929 176.892 175.900 0.104 0.000 1.418 241 Y CA 0.147 58.295 58.100 0.081 0.000 2.086 241 Y CB 0.275 38.824 38.460 0.148 0.000 1.717 241 Y HN 0.400 nan 8.280 nan 0.000 0.695 242 S N -2.119 113.800 115.700 0.364 0.000 2.773 242 S HA 0.390 4.859 4.470 -0.001 0.000 0.315 242 S C -0.317 174.420 174.600 0.227 0.000 0.599 242 S CA -0.867 57.466 58.200 0.220 0.000 0.643 242 S CB -0.383 62.909 63.200 0.153 0.000 0.916 242 S HN 1.855 nan 8.310 nan 0.000 0.600 243 A N 1.460 124.384 122.820 0.173 0.000 2.861 243 A HA -0.253 4.067 4.320 -0.001 0.000 0.261 243 A C 1.147 178.845 177.584 0.190 0.000 1.351 243 A CA 1.521 53.642 52.037 0.140 0.000 0.904 243 A CB -2.635 16.432 19.000 0.112 0.000 1.076 243 A HN 2.010 nan 8.150 nan 0.000 0.729 244 F N 1.118 121.135 119.950 0.112 0.000 2.039 244 F HA -0.306 4.221 4.527 -0.001 0.000 0.296 244 F C 1.912 177.710 175.800 -0.004 0.000 1.119 244 F CA 2.955 61.020 58.000 0.109 0.000 1.211 244 F CB -0.403 38.599 39.000 0.004 0.000 0.956 244 F HN 0.441 nan 8.300 nan 0.000 0.496 245 D N -0.056 120.261 120.400 -0.139 0.000 2.157 245 D HA -0.230 4.409 4.640 -0.001 0.000 0.191 245 D C 2.100 178.154 176.300 -0.410 0.000 1.004 245 D CA 1.837 55.570 54.000 -0.443 0.000 0.854 245 D CB -0.557 40.170 40.800 -0.122 0.000 0.936 245 D HN 0.409 nan 8.370 nan 0.000 0.446 246 A N -0.425 122.326 122.820 -0.116 0.000 2.169 246 A HA -0.008 4.311 4.320 -0.001 0.000 0.212 246 A C 1.658 179.281 177.584 0.066 0.000 1.153 246 A CA 0.475 52.537 52.037 0.042 0.000 0.756 246 A CB 0.010 19.087 19.000 0.128 0.000 0.813 246 A HN 0.160 nan 8.150 nan 0.000 0.471 247 N N -0.061 118.663 118.700 0.039 0.000 2.214 247 N HA 0.020 4.760 4.740 -0.001 0.000 0.214 247 N C -0.767 174.820 175.510 0.128 0.000 1.132 247 N CA -0.022 53.084 53.050 0.093 0.000 0.856 247 N CB 0.059 38.621 38.487 0.126 0.000 1.020 247 N HN 0.389 nan 8.380 nan 0.000 0.509 248 H N 1.226 120.244 119.070 -0.088 0.000 3.253 248 H HA 0.000 4.555 4.556 -0.001 0.000 0.250 248 H C 0.931 176.208 175.328 -0.086 0.000 1.051 248 H CA -0.886 55.107 56.048 -0.093 0.000 1.458 248 H CB -0.632 29.043 29.762 -0.145 0.000 1.549 248 H HN 0.242 nan 8.280 nan 0.000 0.506 249 C N 2.037 121.323 119.300 -0.023 0.000 2.703 249 C HA 0.071 4.530 4.460 -0.001 0.000 0.411 249 C C 1.976 176.904 174.990 -0.103 0.000 1.290 249 C CA -0.316 58.653 59.018 -0.082 0.000 2.054 249 C CB 0.283 27.932 27.740 -0.152 0.000 2.732 249 C HN 0.806 nan 8.230 nan 0.000 0.650 250 S N 1.836 117.488 115.700 -0.081 0.000 2.462 250 S HA -0.153 4.316 4.470 -0.001 0.000 0.243 250 S C 0.873 175.413 174.600 -0.100 0.000 1.003 250 S CA 2.142 60.302 58.200 -0.066 0.000 0.970 250 S CB -0.431 62.738 63.200 -0.051 0.000 0.762 250 S HN 0.928 nan 8.310 nan 0.000 0.510 251 D N 1.528 121.828 120.400 -0.167 0.000 2.369 251 D HA 0.311 4.950 4.640 -0.001 0.000 0.231 251 D C 2.177 178.274 176.300 -0.339 0.000 0.967 251 D CA 0.837 54.720 54.000 -0.194 0.000 0.905 251 D CB -0.841 39.844 40.800 -0.191 0.000 1.044 251 D HN 0.316 nan 8.370 nan 0.000 0.487 252 A N 0.982 123.471 122.820 -0.552 0.000 1.927 252 A HA -0.263 4.056 4.320 -0.001 0.000 0.220 252 A C 2.177 179.526 177.584 -0.391 0.000 1.185 252 A CA 1.782 53.292 52.037 -0.878 0.000 0.639 252 A CB -0.725 17.864 19.000 -0.684 0.000 0.820 252 A HN 0.153 nan 8.150 nan 0.000 0.451 253 M N -1.462 117.949 119.600 -0.315 0.000 2.123 253 M HA -0.127 4.352 4.480 -0.001 0.000 0.263 253 M C 1.912 177.906 176.300 -0.511 0.000 1.069 253 M CA 1.795 56.811 55.300 -0.474 0.000 1.133 253 M CB -0.418 32.031 32.600 -0.252 0.000 1.356 253 M HN 0.518 nan 8.290 nan 0.000 0.415 254 N N 0.138 118.757 118.700 -0.136 0.000 2.453 254 N HA -0.024 4.715 4.740 -0.001 0.000 0.183 254 N C 1.439 176.997 175.510 0.081 0.000 1.041 254 N CA 0.723 53.817 53.050 0.073 0.000 0.900 254 N CB 0.089 38.626 38.487 0.084 0.000 0.961 254 N HN 0.297 nan 8.380 nan 0.000 0.443 255 I N -0.159 120.431 120.570 0.033 0.000 2.429 255 I HA -0.125 4.044 4.170 -0.001 0.000 0.247 255 I C 2.330 178.555 176.117 0.181 0.000 1.099 255 I CA 0.494 61.889 61.300 0.159 0.000 1.422 255 I CB -0.118 38.038 38.000 0.261 0.000 1.112 255 I HN 0.266 nan 8.210 nan 0.000 0.430 256 M N 0.895 120.587 119.600 0.153 0.000 2.149 256 M HA -0.239 4.240 4.480 -0.001 0.000 0.261 256 M C 2.227 178.629 176.300 0.169 0.000 1.064 256 M CA 2.169 57.514 55.300 0.076 0.000 1.102 256 M CB -0.468 32.121 32.600 -0.019 0.000 1.369 256 M HN 0.086 nan 8.290 nan 0.000 0.408 257 F N 1.158 121.238 119.950 0.217 0.000 2.102 257 F HA -0.173 4.353 4.527 -0.002 0.000 0.298 257 F C 2.403 178.347 175.800 0.241 0.000 1.105 257 F CA 1.514 59.671 58.000 0.261 0.000 1.239 257 F CB -1.310 37.763 39.000 0.122 0.000 0.991 257 F HN 0.292 nan 8.300 nan 0.000 0.474 258 E N -0.409 120.009 120.200 0.364 0.000 2.153 258 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 258 E C 2.045 178.779 176.600 0.222 0.000 0.988 258 E CA 1.136 57.689 56.400 0.255 0.000 0.811 258 E CB 0.005 29.824 29.700 0.198 0.000 0.746 258 E HN 0.377 nan 8.360 nan 0.000 0.466 259 E N -0.147 120.170 120.200 0.195 0.000 2.132 259 E HA -0.031 4.319 4.350 -0.001 0.000 0.193 259 E C 2.318 178.993 176.600 0.124 0.000 0.951 259 E CA 0.359 56.860 56.400 0.169 0.000 0.843 259 E CB -0.076 29.693 29.700 0.116 0.000 0.807 259 E HN 0.079 nan 8.360 nan 0.000 0.467 260 V N 0.745 120.626 119.914 -0.055 0.000 2.343 260 V HA -0.181 3.938 4.120 -0.001 0.000 0.247 260 V C 1.292 176.989 176.094 -0.661 0.000 1.051 260 V CA 1.472 63.504 62.300 -0.447 0.000 1.036 260 V CB -0.403 30.982 31.823 -0.730 0.000 0.654 260 V HN 0.122 nan 8.190 nan 0.000 0.451 261 F N -0.195 119.693 119.950 -0.104 0.000 2.850 261 F HA 0.396 4.922 4.527 -0.001 0.000 0.306 261 F C 1.116 176.887 175.800 -0.049 0.000 1.162 261 F CA -0.661 57.044 58.000 -0.491 0.000 1.327 261 F CB -0.336 38.236 39.000 -0.713 0.000 0.953 261 F HN -0.066 nan 8.300 nan 0.000 0.507 262 R N -0.006 120.702 120.500 0.347 0.000 2.863 262 R HA 0.065 4.404 4.340 -0.001 0.000 0.273 262 R C 1.790 178.288 176.300 0.330 0.000 1.057 262 R CA 0.777 57.055 56.100 0.295 0.000 1.191 262 R CB 0.285 30.713 30.300 0.213 0.000 1.104 262 R HN 0.307 nan 8.270 nan 0.000 0.519 263 T N -2.348 112.321 114.554 0.192 0.000 2.951 263 T HA -0.158 4.191 4.350 -0.001 0.000 0.268 263 T C 1.646 176.350 174.700 0.007 0.000 1.073 263 T CA 1.164 63.349 62.100 0.141 0.000 1.134 263 T CB -0.081 68.832 68.868 0.075 0.000 0.884 263 T HN 0.726 nan 8.240 nan 0.000 0.479 264 E N 0.630 120.755 120.200 -0.124 0.000 2.219 264 E HA -0.144 4.205 4.350 -0.001 0.000 0.198 264 E C 0.938 177.288 176.600 -0.417 0.000 0.998 264 E CA 1.158 57.379 56.400 -0.300 0.000 0.818 264 E CB -0.550 28.915 29.700 -0.391 0.000 0.741 264 E HN 0.669 nan 8.360 nan 0.000 0.477 265 F N -0.968 118.954 119.950 -0.047 0.000 2.797 265 F HA 0.357 4.883 4.527 -0.002 0.000 0.302 265 F C 1.673 177.240 175.800 -0.388 0.000 1.130 265 F CA 0.593 58.444 58.000 -0.247 0.000 1.387 265 F CB 0.828 39.553 39.000 -0.458 0.000 1.107 265 F HN 0.217 nan 8.300 nan 0.000 0.577 266 G N -1.091 107.639 108.800 -0.117 0.000 2.255 266 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.196 266 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.196 266 G C 0.356 175.139 174.900 -0.194 0.000 0.998 266 G CA -0.701 44.277 45.100 -0.203 0.000 0.656 266 G HN 0.147 nan 8.290 nan 0.000 0.490 267 F N 1.342 121.339 119.950 0.078 0.000 2.408 267 F HA 0.593 5.120 4.527 -0.001 0.000 0.303 267 F C 1.191 177.077 175.800 0.143 0.000 1.268 267 F CA 0.014 58.091 58.000 0.128 0.000 1.218 267 F CB 0.360 39.465 39.000 0.176 0.000 1.283 267 F HN 0.104 nan 8.300 nan 0.000 0.545 268 H N 2.130 121.361 119.070 0.270 0.000 2.457 268 H HA 0.279 4.834 4.556 -0.001 0.000 0.335 268 H C -2.122 173.301 175.328 0.158 0.000 1.115 268 H CA -2.856 53.282 56.048 0.151 0.000 1.219 268 H CB 1.820 31.640 29.762 0.098 0.000 1.471 268 H HN 0.124 nan 8.280 nan 0.000 0.491 269 P HA -0.126 nan 4.420 nan 0.000 0.219 269 P C 0.440 177.938 177.300 0.329 0.000 1.144 269 P CA 1.295 64.553 63.100 0.264 0.000 0.806 269 P CB 0.340 32.127 31.700 0.145 0.000 0.771 270 N N -1.570 117.414 118.700 0.473 0.000 2.383 270 N HA 0.128 4.867 4.740 -0.001 0.000 0.192 270 N C 1.361 177.005 175.510 0.224 0.000 1.141 270 N CA 0.273 53.520 53.050 0.329 0.000 0.851 270 N CB -0.332 38.323 38.487 0.280 0.000 0.976 270 N HN 0.022 nan 8.380 nan 0.000 0.465 271 A N 0.393 123.293 122.820 0.133 0.000 1.975 271 A HA -0.032 4.287 4.320 -0.001 0.000 0.215 271 A C 1.833 179.343 177.584 -0.123 0.000 1.170 271 A CA 0.825 52.835 52.037 -0.045 0.000 0.656 271 A CB -0.120 18.844 19.000 -0.061 0.000 0.821 271 A HN 0.311 nan 8.150 nan 0.000 0.449 272 E N -1.385 118.825 120.200 0.017 0.000 2.153 272 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 272 E C 1.661 178.247 176.600 -0.024 0.000 0.988 272 E CA 1.182 57.580 56.400 -0.004 0.000 0.811 272 E CB -0.217 29.560 29.700 0.129 0.000 0.746 272 E HN 0.832 nan 8.360 nan 0.000 0.466 273 W N 2.212 123.489 121.300 -0.038 0.000 2.352 273 W HA -0.179 4.481 4.660 -0.001 0.000 0.322 273 W C 2.164 178.654 176.519 -0.048 0.000 1.208 273 W CA 1.368 58.705 57.345 -0.012 0.000 1.286 273 W CB -0.517 28.974 29.460 0.052 0.000 1.167 273 W HN 0.002 nan 8.180 nan 0.000 0.469 274 I N 0.994 121.608 120.570 0.074 0.000 2.145 274 I HA -0.344 3.825 4.170 -0.001 0.000 0.244 274 I C 2.002 177.946 176.117 -0.288 0.000 1.075 274 I CA 2.150 63.386 61.300 -0.105 0.000 1.332 274 I CB -1.177 36.894 38.000 0.118 0.000 1.033 274 I HN 0.199 nan 8.210 nan 0.000 0.410 275 L N 0.922 121.888 121.223 -0.428 0.000 1.989 275 L HA -0.245 4.094 4.340 -0.001 0.000 0.211 275 L C 2.736 179.099 176.870 -0.846 0.000 1.071 275 L CA 1.944 56.304 54.840 -0.800 0.000 0.749 275 L CB -0.693 40.600 42.059 -1.277 0.000 0.890 275 L HN 0.228 nan 8.230 nan 0.000 0.431 276 K N -0.447 119.565 120.400 -0.647 0.000 2.360 276 K HA -0.117 4.202 4.320 -0.001 0.000 0.201 276 K C 1.838 178.244 176.600 -0.324 0.000 1.046 276 K CA 1.560 57.648 56.287 -0.330 0.000 0.945 276 K CB -0.321 32.065 32.500 -0.190 0.000 0.750 276 K HN 0.503 nan 8.250 nan 0.000 0.464 277 T N -0.932 113.340 114.554 -0.470 0.000 3.098 277 T HA -0.016 4.333 4.350 -0.001 0.000 0.266 277 T C 1.538 176.167 174.700 -0.119 0.000 1.145 277 T CA 0.624 62.487 62.100 -0.395 0.000 1.092 277 T CB -0.173 68.453 68.868 -0.404 0.000 0.908 277 T HN 0.128 nan 8.240 nan 0.000 0.526 278 L N 0.147 121.340 121.223 -0.049 0.000 2.567 278 L HA 0.204 4.543 4.340 -0.001 0.000 0.225 278 L C 2.345 179.258 176.870 0.071 0.000 1.119 278 L CA -0.143 54.738 54.840 0.068 0.000 0.871 278 L CB -0.133 41.978 42.059 0.087 0.000 1.036 278 L HN 0.159 nan 8.230 nan 0.000 0.459 279 V N 0.148 120.090 119.914 0.047 0.000 2.232 279 V HA -0.160 3.960 4.120 -0.001 0.000 0.239 279 V C 0.461 176.543 176.094 -0.020 0.000 1.040 279 V CA 1.278 63.611 62.300 0.054 0.000 0.996 279 V CB -0.439 31.416 31.823 0.054 0.000 0.638 279 V HN 0.511 nan 8.190 nan 0.000 0.453 280 N N 1.066 119.721 118.700 -0.075 0.000 2.420 280 N HA 0.420 5.159 4.740 -0.001 0.000 0.249 280 N C -0.391 175.015 175.510 -0.174 0.000 1.033 280 N CA -0.098 52.882 53.050 -0.117 0.000 0.944 280 N CB 1.005 39.422 38.487 -0.117 0.000 1.113 280 N HN 0.575 nan 8.380 nan 0.000 0.502 281 T N -1.087 113.345 114.554 -0.203 0.000 2.940 281 T HA 0.484 4.833 4.350 -0.001 0.000 0.288 281 T C -0.325 174.159 174.700 -0.360 0.000 1.045 281 T CA -1.047 60.868 62.100 -0.309 0.000 1.018 281 T CB 1.600 70.220 68.868 -0.413 0.000 1.151 281 T HN 0.301 nan 8.240 nan 0.000 0.529 282 E N 1.109 121.093 120.200 -0.359 0.000 2.149 282 E HA 0.237 4.587 4.350 -0.001 0.000 0.255 282 E C -0.846 175.619 176.600 -0.226 0.000 0.888 282 E CA -0.778 55.469 56.400 -0.256 0.000 0.742 282 E CB 0.567 30.168 29.700 -0.166 0.000 1.164 282 E HN 0.533 nan 8.360 nan 0.000 0.422 283 H N 1.682 120.770 119.070 0.030 0.000 2.705 283 H HA 0.260 4.815 4.556 -0.003 0.000 0.291 283 H C -0.176 175.204 175.328 0.087 0.000 1.085 283 H CA -0.582 55.520 56.048 0.091 0.000 1.357 283 H CB 1.135 30.986 29.762 0.148 0.000 1.419 283 H HN 0.484 nan 8.280 nan 0.000 0.462 284 A N 5.109 128.045 122.820 0.193 0.000 2.805 284 A HA 0.033 4.352 4.320 -0.001 0.000 0.301 284 A C -0.337 177.382 177.584 0.225 0.000 1.557 284 A CA -0.383 51.748 52.037 0.157 0.000 1.254 284 A CB -0.927 18.125 19.000 0.086 0.000 1.114 284 A HN 0.681 nan 8.150 nan 0.000 0.553 285 Y N 3.313 123.716 120.300 0.172 0.000 2.600 285 Y HA 0.313 4.862 4.550 -0.003 0.000 0.351 285 Y C 0.843 176.816 175.900 0.120 0.000 1.042 285 Y CA 0.638 58.856 58.100 0.197 0.000 1.333 285 Y CB -0.270 38.413 38.460 0.372 0.000 1.172 285 Y HN 0.998 nan 8.280 nan 0.000 0.517 286 E N 2.994 123.029 120.200 -0.275 0.000 3.395 286 E HA -0.401 3.948 4.350 -0.001 0.000 0.254 286 E C 0.363 176.912 176.600 -0.086 0.000 1.446 286 E CA 1.430 57.648 56.400 -0.303 0.000 2.083 286 E CB -0.787 28.500 29.700 -0.687 0.000 2.051 286 E HN 0.853 nan 8.360 nan 0.000 0.502 287 N N 1.156 119.823 118.700 -0.056 0.000 2.430 287 N HA -0.120 4.619 4.740 -0.001 0.000 0.186 287 N C 0.060 175.591 175.510 0.036 0.000 1.032 287 N CA 1.409 54.458 53.050 -0.001 0.000 0.893 287 N CB -0.168 38.321 38.487 0.004 0.000 0.957 287 N HN 0.171 nan 8.380 nan 0.000 0.442 288 K N 1.907 122.360 120.400 0.089 0.000 2.292 288 K HA 0.122 4.442 4.320 -0.001 0.000 0.290 288 K C -0.137 176.509 176.600 0.076 0.000 1.083 288 K CA -0.184 56.164 56.287 0.101 0.000 0.918 288 K CB 0.653 33.270 32.500 0.196 0.000 1.089 288 K HN 0.130 nan 8.250 nan 0.000 0.473 289 R N 3.501 124.018 120.500 0.028 0.000 2.419 289 R HA 0.220 4.560 4.340 -0.001 0.000 0.305 289 R C 0.200 176.487 176.300 -0.023 0.000 1.242 289 R CA -0.636 55.471 56.100 0.011 0.000 1.105 289 R CB -0.655 29.641 30.300 -0.007 0.000 1.116 289 R HN 0.412 nan 8.270 nan 0.000 0.523 290 I N 1.829 122.378 120.570 -0.036 0.000 2.416 290 I HA 0.050 4.219 4.170 -0.001 0.000 0.288 290 I C 0.573 176.659 176.117 -0.051 0.000 1.051 290 I CA 0.618 61.856 61.300 -0.103 0.000 1.375 290 I CB 0.987 38.817 38.000 -0.283 0.000 1.407 290 I HN 0.264 nan 8.210 nan 0.000 0.516 291 T N 5.990 120.501 114.554 -0.072 0.000 2.770 291 T HA 0.618 4.968 4.350 -0.001 0.000 0.283 291 T C -0.369 174.280 174.700 -0.086 0.000 0.988 291 T CA -0.553 61.493 62.100 -0.090 0.000 0.957 291 T CB 1.180 69.995 68.868 -0.089 0.000 0.930 291 T HN 0.196 nan 8.240 nan 0.000 0.443 292 V N 3.416 123.267 119.914 -0.105 0.000 2.656 292 V HA 0.430 4.549 4.120 -0.001 0.000 0.307 292 V C -0.315 175.701 176.094 -0.130 0.000 1.051 292 V CA -1.033 61.197 62.300 -0.117 0.000 0.893 292 V CB 2.101 33.875 31.823 -0.082 0.000 0.999 292 V HN 0.851 nan 8.190 nan 0.000 0.426 293 E N 2.830 122.954 120.200 -0.126 0.000 2.133 293 E HA 0.677 5.026 4.350 -0.001 0.000 0.274 293 E C 0.324 176.863 176.600 -0.102 0.000 0.930 293 E CA -0.040 56.300 56.400 -0.100 0.000 0.770 293 E CB 1.920 31.573 29.700 -0.079 0.000 1.104 293 E HN 1.139 nan 8.360 nan 0.000 0.403 294 G N 1.853 110.611 108.800 -0.070 0.000 2.603 294 G HA2 0.283 4.242 3.960 -0.001 0.000 0.686 294 G HA3 0.283 4.242 3.960 -0.001 0.000 0.686 294 G C 0.169 175.051 174.900 -0.029 0.000 1.286 294 G CA -0.371 44.700 45.100 -0.048 0.000 0.871 294 G HN 1.065 nan 8.290 nan 0.000 0.568 295 G N -0.921 107.887 108.800 0.013 0.000 2.846 295 G HA2 0.289 4.248 3.960 -0.001 0.000 0.660 295 G HA3 0.289 4.248 3.960 -0.001 0.000 0.660 295 G C -0.023 174.902 174.900 0.042 0.000 1.464 295 G CA 0.364 45.481 45.100 0.029 0.000 0.891 295 G HN 1.572 nan 8.290 nan 0.000 0.552 296 M N 0.870 120.450 119.600 -0.033 0.000 2.472 296 M HA 0.387 4.866 4.480 -0.001 0.000 0.331 296 M C -2.111 174.233 176.300 0.072 0.000 1.170 296 M CA -2.243 53.063 55.300 0.011 0.000 1.009 296 M CB 1.420 33.952 32.600 -0.114 0.000 1.672 296 M HN 0.262 nan 8.290 nan 0.000 0.453 297 P HA 0.089 nan 4.420 nan 0.000 0.263 297 P C -0.570 176.772 177.300 0.070 0.000 1.601 297 P CA -0.259 62.930 63.100 0.149 0.000 1.161 297 P CB -0.659 31.144 31.700 0.172 0.000 1.730 298 S N 1.956 117.680 115.700 0.040 0.000 3.631 298 S HA 0.119 4.589 4.470 -0.001 0.000 0.431 298 S C 1.513 176.130 174.600 0.028 0.000 1.132 298 S CA 0.336 58.552 58.200 0.028 0.000 1.188 298 S CB -1.154 62.056 63.200 0.016 0.000 0.805 298 S HN 0.845 nan 8.310 nan 0.000 0.526 299 G N 1.202 110.018 108.800 0.027 0.000 2.176 299 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.232 299 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.232 299 G C 0.281 175.168 174.900 -0.022 0.000 0.986 299 G CA -0.314 44.790 45.100 0.006 0.000 0.643 299 G HN 1.900 nan 8.290 nan 0.000 0.522 300 C N 0.990 120.279 119.300 -0.018 0.000 2.555 300 C HA 0.741 5.200 4.460 -0.001 0.000 0.385 300 C C 1.475 176.434 174.990 -0.051 0.000 1.296 300 C CA -0.535 58.439 59.018 -0.074 0.000 1.757 300 C CB -0.308 27.399 27.740 -0.054 0.000 2.445 300 C HN 1.659 nan 8.230 nan 0.000 0.571 301 S N 3.491 119.142 115.700 -0.082 0.000 3.028 301 S HA 0.109 4.578 4.470 -0.001 0.000 0.367 301 S C 1.526 176.148 174.600 0.036 0.000 1.192 301 S CA 1.461 59.650 58.200 -0.018 0.000 0.959 301 S CB -0.268 62.917 63.200 -0.026 0.000 0.637 301 S HN 2.807 nan 8.310 nan 0.000 0.461 302 A N 2.862 125.730 122.820 0.079 0.000 3.052 302 A HA -0.256 4.063 4.320 -0.001 0.000 0.271 302 A C 1.931 179.590 177.584 0.124 0.000 1.246 302 A CA 2.524 54.632 52.037 0.118 0.000 0.966 302 A CB -3.106 15.969 19.000 0.124 0.000 1.024 302 A HN 1.664 nan 8.150 nan 0.000 0.736 303 T N -0.772 113.842 114.554 0.100 0.000 2.714 303 T HA -0.240 4.109 4.350 -0.001 0.000 0.268 303 T C 1.924 176.708 174.700 0.140 0.000 1.036 303 T CA 2.861 65.027 62.100 0.109 0.000 1.148 303 T CB -0.344 68.572 68.868 0.079 0.000 0.856 303 T HN 0.879 nan 8.240 nan 0.000 0.462 304 S N 0.467 116.249 115.700 0.137 0.000 2.395 304 S HA 0.091 4.560 4.470 -0.001 0.000 0.225 304 S C 1.951 176.603 174.600 0.088 0.000 1.027 304 S CA 0.633 58.908 58.200 0.125 0.000 0.965 304 S CB -0.182 63.076 63.200 0.097 0.000 0.812 304 S HN 0.395 nan 8.310 nan 0.000 0.482 305 I N 2.304 122.936 120.570 0.104 0.000 2.142 305 I HA -0.145 4.024 4.170 -0.001 0.000 0.240 305 I C 2.131 178.363 176.117 0.191 0.000 1.078 305 I CA 1.223 62.594 61.300 0.119 0.000 1.343 305 I CB -1.178 36.916 38.000 0.157 0.000 1.046 305 I HN 0.225 nan 8.210 nan 0.000 0.405 306 I N 1.199 121.909 120.570 0.233 0.000 2.091 306 I HA -0.313 3.856 4.170 -0.001 0.000 0.239 306 I C 2.149 178.383 176.117 0.195 0.000 1.061 306 I CA 1.679 63.139 61.300 0.266 0.000 1.317 306 I CB -2.031 36.143 38.000 0.289 0.000 1.031 306 I HN 0.254 nan 8.210 nan 0.000 0.401 307 N N 0.256 119.096 118.700 0.232 0.000 2.272 307 N HA -0.138 4.601 4.740 -0.001 0.000 0.185 307 N C 1.724 177.394 175.510 0.267 0.000 1.014 307 N CA 1.663 54.916 53.050 0.340 0.000 0.870 307 N CB -0.312 38.413 38.487 0.398 0.000 0.975 307 N HN 0.409 nan 8.380 nan 0.000 0.433 308 T N 0.661 115.303 114.554 0.147 0.000 2.852 308 T HA 0.082 4.431 4.350 -0.001 0.000 0.256 308 T C 1.796 176.490 174.700 -0.010 0.000 1.038 308 T CA 0.290 62.431 62.100 0.069 0.000 1.141 308 T CB 0.012 68.909 68.868 0.048 0.000 0.869 308 T HN 0.073 nan 8.240 nan 0.000 0.439 309 I N 1.559 122.146 120.570 0.028 0.000 2.194 309 I HA -0.138 4.031 4.170 -0.001 0.000 0.246 309 I C 2.363 178.315 176.117 -0.274 0.000 1.093 309 I CA 1.323 62.588 61.300 -0.058 0.000 1.355 309 I CB -1.195 36.879 38.000 0.123 0.000 1.046 309 I HN 0.257 nan 8.210 nan 0.000 0.413 310 L N 0.076 121.159 121.223 -0.232 0.000 2.056 310 L HA -0.229 4.111 4.340 -0.001 0.000 0.207 310 L C 2.230 178.689 176.870 -0.685 0.000 1.078 310 L CA 1.644 56.183 54.840 -0.502 0.000 0.749 310 L CB -0.776 40.871 42.059 -0.686 0.000 0.901 310 L HN 0.393 nan 8.230 nan 0.000 0.433 311 N N -0.153 118.372 118.700 -0.292 0.000 2.149 311 N HA -0.218 4.522 4.740 -0.001 0.000 0.188 311 N C 1.649 177.138 175.510 -0.035 0.000 1.019 311 N CA 1.067 54.057 53.050 -0.100 0.000 0.857 311 N CB 0.147 38.596 38.487 -0.064 0.000 0.997 311 N HN 0.296 nan 8.380 nan 0.000 0.426 312 N N 0.397 118.977 118.700 -0.201 0.000 2.142 312 N HA -0.072 4.667 4.740 -0.001 0.000 0.186 312 N C 1.585 176.931 175.510 -0.273 0.000 1.023 312 N CA 0.895 53.777 53.050 -0.280 0.000 0.852 312 N CB 0.023 38.047 38.487 -0.772 0.000 0.998 312 N HN 0.359 nan 8.380 nan 0.000 0.424 313 I N 0.137 120.492 120.570 -0.359 0.000 2.617 313 I HA -0.183 3.986 4.170 -0.001 0.000 0.256 313 I C 1.751 177.846 176.117 -0.036 0.000 1.167 313 I CA 0.405 61.538 61.300 -0.279 0.000 1.469 313 I CB -0.152 37.570 38.000 -0.463 0.000 1.098 313 I HN 0.037 nan 8.210 nan 0.000 0.436 314 Y N 0.846 121.115 120.300 -0.051 0.000 2.133 314 Y HA -0.167 4.382 4.550 -0.001 0.000 0.287 314 Y C 2.679 178.537 175.900 -0.070 0.000 1.134 314 Y CA 0.772 58.885 58.100 0.021 0.000 1.133 314 Y CB -1.231 37.397 38.460 0.280 0.000 0.987 314 Y HN -0.084 nan 8.280 nan 0.000 0.502 315 V N 0.190 120.259 119.914 0.258 0.000 2.252 315 V HA -0.302 3.817 4.120 -0.001 0.000 0.249 315 V C 2.458 178.488 176.094 -0.106 0.000 1.056 315 V CA 1.897 64.264 62.300 0.112 0.000 1.022 315 V CB -1.143 30.766 31.823 0.143 0.000 0.641 315 V HN 0.326 nan 8.190 nan 0.000 0.445 316 L N -0.518 120.698 121.223 -0.011 0.000 2.131 316 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 316 L C 2.286 179.144 176.870 -0.020 0.000 1.092 316 L CA 2.069 56.916 54.840 0.012 0.000 0.759 316 L CB -0.931 41.210 42.059 0.137 0.000 0.903 316 L HN 0.537 nan 8.230 nan 0.000 0.435 317 Y N -0.007 120.198 120.300 -0.159 0.000 2.314 317 Y HA -0.024 4.526 4.550 -0.001 0.000 0.293 317 Y C 2.240 177.983 175.900 -0.261 0.000 1.129 317 Y CA 1.293 59.298 58.100 -0.158 0.000 1.201 317 Y CB -0.547 37.872 38.460 -0.068 0.000 0.999 317 Y HN 0.184 nan 8.280 nan 0.000 0.541 318 A N 0.265 122.981 122.820 -0.173 0.000 1.968 318 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 318 A C 2.173 179.480 177.584 -0.461 0.000 1.169 318 A CA 1.473 53.224 52.037 -0.477 0.000 0.638 318 A CB -0.889 17.473 19.000 -1.063 0.000 0.812 318 A HN 0.541 nan 8.150 nan 0.000 0.446 319 L N -1.523 119.490 121.223 -0.350 0.000 2.131 319 L HA -0.005 4.335 4.340 -0.001 0.000 0.206 319 L C 2.707 179.495 176.870 -0.136 0.000 1.087 319 L CA 0.798 55.495 54.840 -0.237 0.000 0.767 319 L CB -0.330 41.566 42.059 -0.272 0.000 0.917 319 L HN 0.275 nan 8.230 nan 0.000 0.441 320 R N -0.271 120.115 120.500 -0.191 0.000 2.189 320 R HA -0.046 4.293 4.340 -0.001 0.000 0.218 320 R C 1.891 178.044 176.300 -0.245 0.000 1.074 320 R CA 0.534 56.536 56.100 -0.163 0.000 0.991 320 R CB 0.011 30.225 30.300 -0.144 0.000 0.883 320 R HN 0.176 nan 8.270 nan 0.000 0.457 321 R N -0.626 119.633 120.500 -0.402 0.000 2.391 321 R HA -0.028 4.311 4.340 -0.001 0.000 0.249 321 R C 0.386 176.399 176.300 -0.480 0.000 0.957 321 R CA 0.385 56.222 56.100 -0.439 0.000 1.093 321 R CB 0.174 30.123 30.300 -0.585 0.000 1.156 321 R HN 0.269 nan 8.270 nan 0.000 0.526 322 H N -1.841 116.878 119.070 -0.585 0.000 2.276 322 H HA 0.171 4.726 4.556 -0.002 0.000 0.199 322 H C -0.757 174.230 175.328 -0.568 0.000 0.867 322 H CA 0.132 55.744 56.048 -0.727 0.000 0.948 322 H CB 0.473 29.605 29.762 -1.050 0.000 1.251 322 H HN -0.014 nan 8.280 nan 0.000 0.388 323 Y N 0.112 120.310 120.300 -0.170 0.000 2.650 323 Y HA 0.674 5.223 4.550 -0.001 0.000 0.331 323 Y C 0.359 176.167 175.900 -0.153 0.000 1.082 323 Y CA -0.643 57.362 58.100 -0.160 0.000 1.171 323 Y CB 0.487 38.878 38.460 -0.115 0.000 1.326 323 Y HN 0.222 nan 8.280 nan 0.000 0.513 324 E N -0.809 119.430 120.200 0.065 0.000 2.227 324 E HA 0.539 4.888 4.350 -0.001 0.000 0.268 324 E C 0.665 177.242 176.600 -0.039 0.000 0.907 324 E CA -0.953 55.439 56.400 -0.012 0.000 0.786 324 E CB 1.085 30.770 29.700 -0.026 0.000 1.191 324 E HN 1.461 nan 8.360 nan 0.000 0.411 325 G N -0.144 108.625 108.800 -0.051 0.000 2.148 325 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.254 325 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.254 325 G C 0.482 175.320 174.900 -0.103 0.000 0.981 325 G CA 0.185 45.242 45.100 -0.072 0.000 0.670 325 G HN 1.340 nan 8.290 nan 0.000 0.528 326 V N 1.960 121.818 119.914 -0.093 0.000 2.415 326 V HA 0.370 4.489 4.120 -0.001 0.000 0.267 326 V C 0.546 176.629 176.094 -0.017 0.000 1.042 326 V CA -0.034 62.213 62.300 -0.089 0.000 1.000 326 V CB 1.063 32.849 31.823 -0.062 0.000 1.015 326 V HN 0.365 nan 8.190 nan 0.000 0.478 327 E N 3.642 123.836 120.200 -0.010 0.000 2.285 327 E HA 0.414 4.763 4.350 -0.001 0.000 0.254 327 E C 1.075 177.676 176.600 0.002 0.000 1.011 327 E CA -0.854 55.549 56.400 0.004 0.000 0.873 327 E CB 1.619 31.309 29.700 -0.018 0.000 1.229 327 E HN 0.344 nan 8.360 nan 0.000 0.422 328 L N 0.882 122.069 121.223 -0.060 0.000 2.043 328 L HA -0.241 4.098 4.340 -0.001 0.000 0.212 328 L C 1.716 178.334 176.870 -0.421 0.000 1.075 328 L CA 1.596 56.284 54.840 -0.255 0.000 0.752 328 L CB -0.453 41.513 42.059 -0.156 0.000 0.891 328 L HN 0.516 nan 8.230 nan 0.000 0.432 329 D N -1.658 118.632 120.400 -0.182 0.000 2.351 329 D HA -0.157 4.483 4.640 -0.001 0.000 0.216 329 D C 1.789 178.091 176.300 0.004 0.000 0.968 329 D CA 1.272 55.213 54.000 -0.099 0.000 0.899 329 D CB -0.680 40.110 40.800 -0.016 0.000 0.907 329 D HN 0.286 nan 8.370 nan 0.000 0.514 330 T N -0.033 114.543 114.554 0.036 0.000 2.721 330 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 330 T C 0.664 175.592 174.700 0.379 0.000 1.038 330 T CA 1.825 64.051 62.100 0.210 0.000 1.145 330 T CB -0.382 68.572 68.868 0.142 0.000 0.858 330 T HN 0.530 nan 8.240 nan 0.000 0.459 331 Y N -1.679 118.696 120.300 0.125 0.000 2.896 331 Y HA 0.754 5.303 4.550 -0.001 0.000 0.317 331 Y C -0.529 175.386 175.900 0.024 0.000 1.444 331 Y CA -1.636 56.526 58.100 0.103 0.000 1.084 331 Y CB 1.153 39.673 38.460 0.100 0.000 1.382 331 Y HN -0.228 nan 8.280 nan 0.000 0.471 332 T N 1.655 116.226 114.554 0.027 0.000 2.900 332 T HA 0.782 5.131 4.350 -0.001 0.000 0.303 332 T C -1.464 173.288 174.700 0.087 0.000 1.142 332 T CA -0.665 61.352 62.100 -0.138 0.000 1.007 332 T CB 1.017 69.646 68.868 -0.400 0.000 1.156 332 T HN 1.035 nan 8.240 nan 0.000 0.490 333 M N 2.633 122.298 119.600 0.109 0.000 2.490 333 M HA 0.736 5.215 4.480 -0.001 0.000 0.286 333 M C -2.263 174.117 176.300 0.134 0.000 1.185 333 M CA -0.963 54.484 55.300 0.245 0.000 0.912 333 M CB 1.737 34.510 32.600 0.288 0.000 1.744 333 M HN 0.467 nan 8.290 nan 0.000 0.494 334 I N 2.447 123.043 120.570 0.043 0.000 2.533 334 I HA 0.808 4.977 4.170 -0.001 0.000 0.290 334 I C -0.877 175.142 176.117 -0.163 0.000 1.056 334 I CA 0.252 61.464 61.300 -0.147 0.000 1.057 334 I CB 2.410 40.169 38.000 -0.402 0.000 1.240 334 I HN 0.956 nan 8.210 nan 0.000 0.423 335 S N 5.351 121.090 115.700 0.066 0.000 2.677 335 S HA 0.623 5.092 4.470 -0.001 0.000 0.304 335 S C -1.093 173.784 174.600 0.462 0.000 1.108 335 S CA -0.657 57.703 58.200 0.266 0.000 0.944 335 S CB 1.598 64.882 63.200 0.141 0.000 1.127 335 S HN 0.544 nan 8.310 nan 0.000 0.511 336 Y N 0.528 121.030 120.300 0.335 0.000 2.475 336 Y HA 0.478 5.027 4.550 -0.002 0.000 0.343 336 Y C 1.028 176.998 175.900 0.116 0.000 1.068 336 Y CA 0.227 58.440 58.100 0.189 0.000 1.307 336 Y CB 0.352 38.851 38.460 0.064 0.000 1.097 336 Y HN 1.266 nan 8.280 nan 0.000 0.530 337 G N 3.886 112.816 108.800 0.218 0.000 2.699 337 G HA2 -0.543 3.416 3.960 -0.001 0.000 0.347 337 G HA3 -0.543 3.416 3.960 -0.001 0.000 0.347 337 G C 1.010 175.915 174.900 0.008 0.000 1.225 337 G CA 1.466 46.693 45.100 0.212 0.000 0.973 337 G HN 0.682 nan 8.290 nan 0.000 0.551 338 D N 0.809 121.211 120.400 0.004 0.000 2.127 338 D HA -0.070 4.569 4.640 -0.001 0.000 0.190 338 D C 1.075 177.306 176.300 -0.114 0.000 1.000 338 D CA 1.516 55.380 54.000 -0.225 0.000 0.839 338 D CB -0.257 40.573 40.800 0.049 0.000 0.955 338 D HN 0.364 nan 8.370 nan 0.000 0.446 339 D N -0.723 119.735 120.400 0.097 0.000 2.414 339 D HA 0.283 4.922 4.640 -0.001 0.000 0.242 339 D C -0.238 176.265 176.300 0.340 0.000 1.129 339 D CA 0.170 54.317 54.000 0.244 0.000 0.885 339 D CB 0.988 41.956 40.800 0.281 0.000 1.198 339 D HN 0.184 nan 8.370 nan 0.000 0.437 340 I N 1.772 122.511 120.570 0.283 0.000 2.685 340 I HA 0.196 4.366 4.170 -0.001 0.000 0.289 340 I C -1.750 174.334 176.117 -0.055 0.000 1.292 340 I CA -0.511 60.856 61.300 0.112 0.000 1.050 340 I CB 1.727 39.818 38.000 0.151 0.000 1.301 340 I HN 0.033 nan 8.210 nan 0.000 0.425 341 V N 7.260 126.971 119.914 -0.339 0.000 2.472 341 V HA 0.677 4.796 4.120 -0.001 0.000 0.290 341 V C -0.287 175.762 176.094 -0.075 0.000 1.037 341 V CA -0.586 61.494 62.300 -0.367 0.000 0.908 341 V CB 1.593 32.888 31.823 -0.881 0.000 0.985 341 V HN 0.553 nan 8.190 nan 0.000 0.454 342 V N 3.090 123.061 119.914 0.096 0.000 2.769 342 V HA 0.932 5.051 4.120 -0.001 0.000 0.312 342 V C 0.097 176.471 176.094 0.467 0.000 1.061 342 V CA -0.515 61.975 62.300 0.317 0.000 0.931 342 V CB 1.902 33.865 31.823 0.233 0.000 1.010 342 V HN 1.042 nan 8.190 nan 0.000 0.433 343 A N 2.364 125.398 122.820 0.357 0.000 2.435 343 A HA 0.956 5.275 4.320 -0.001 0.000 0.304 343 A C -0.592 177.091 177.584 0.165 0.000 1.064 343 A CA -0.584 51.511 52.037 0.097 0.000 0.727 343 A CB 2.161 20.877 19.000 -0.474 0.000 1.284 343 A HN 0.846 nan 8.150 nan 0.000 0.415 344 S N -0.158 115.738 115.700 0.327 0.000 2.542 344 S HA 0.398 4.868 4.470 -0.001 0.000 0.276 344 S C -0.536 174.263 174.600 0.333 0.000 1.148 344 S CA -0.568 57.897 58.200 0.441 0.000 0.886 344 S CB 1.167 64.738 63.200 0.618 0.000 1.109 344 S HN 0.672 nan 8.310 nan 0.000 0.458 345 D N 1.524 122.066 120.400 0.236 0.000 2.096 345 D HA 0.041 4.680 4.640 -0.001 0.000 0.207 345 D C -0.025 176.298 176.300 0.038 0.000 0.976 345 D CA 1.212 55.223 54.000 0.020 0.000 0.875 345 D CB -0.601 40.090 40.800 -0.182 0.000 1.009 345 D HN 0.649 nan 8.370 nan 0.000 0.449 346 Y N 2.432 122.803 120.300 0.119 0.000 3.001 346 Y HA -0.154 4.395 4.550 -0.001 0.000 0.374 346 Y C 0.573 176.574 175.900 0.169 0.000 1.222 346 Y CA 0.251 58.402 58.100 0.085 0.000 1.605 346 Y CB -0.496 37.966 38.460 0.004 0.000 1.091 346 Y HN 0.002 nan 8.280 nan 0.000 0.570 347 D N 5.693 126.256 120.400 0.272 0.000 2.541 347 D HA 0.084 4.723 4.640 -0.001 0.000 0.231 347 D C 0.160 176.675 176.300 0.358 0.000 1.163 347 D CA 0.243 54.420 54.000 0.295 0.000 1.077 347 D CB -0.056 40.869 40.800 0.208 0.000 1.110 347 D HN 0.411 nan 8.370 nan 0.000 0.499 348 L N 0.969 122.472 121.223 0.467 0.000 2.436 348 L HA 0.170 4.510 4.340 -0.001 0.000 0.265 348 L C 0.783 177.813 176.870 0.267 0.000 1.168 348 L CA -0.304 54.697 54.840 0.269 0.000 0.815 348 L CB 0.652 42.722 42.059 0.018 0.000 1.109 348 L HN 0.064 nan 8.230 nan 0.000 0.462 349 D N 0.562 120.997 120.400 0.059 0.000 2.381 349 D HA 0.230 4.869 4.640 -0.001 0.000 0.235 349 D C -0.083 176.000 176.300 -0.361 0.000 1.068 349 D CA -0.253 53.742 54.000 -0.008 0.000 0.832 349 D CB 1.128 41.947 40.800 0.032 0.000 1.101 349 D HN 0.249 nan 8.370 nan 0.000 0.515 350 F N 1.675 121.398 119.950 -0.378 0.000 2.678 350 F HA 0.177 4.703 4.527 -0.002 0.000 0.291 350 F C 2.100 177.520 175.800 -0.634 0.000 1.123 350 F CA -0.021 57.527 58.000 -0.753 0.000 1.395 350 F CB 0.423 38.612 39.000 -1.350 0.000 1.121 350 F HN 0.387 nan 8.300 nan 0.000 0.592 351 E N 0.306 120.481 120.200 -0.041 0.000 2.511 351 E HA 0.047 4.397 4.350 -0.001 0.000 0.196 351 E C 1.823 178.412 176.600 -0.019 0.000 1.066 351 E CA 0.665 57.113 56.400 0.081 0.000 0.871 351 E CB 0.031 29.855 29.700 0.206 0.000 0.863 351 E HN 0.267 nan 8.360 nan 0.000 0.520 352 A N -0.454 122.284 122.820 -0.138 0.000 2.220 352 A HA 0.158 4.477 4.320 -0.001 0.000 0.211 352 A C 1.625 179.131 177.584 -0.130 0.000 1.176 352 A CA -0.001 51.946 52.037 -0.150 0.000 0.834 352 A CB 0.023 18.848 19.000 -0.292 0.000 0.868 352 A HN 0.267 nan 8.150 nan 0.000 0.488 353 L N -0.773 120.338 121.223 -0.186 0.000 2.221 353 L HA -0.023 4.317 4.340 -0.001 0.000 0.202 353 L C 2.079 179.081 176.870 0.221 0.000 1.074 353 L CA 0.680 55.546 54.840 0.044 0.000 0.795 353 L CB -0.673 41.314 42.059 -0.120 0.000 0.960 353 L HN 0.225 nan 8.230 nan 0.000 0.458 354 K N 0.821 121.254 120.400 0.055 0.000 2.056 354 K HA -0.250 4.069 4.320 -0.001 0.000 0.225 354 K C -0.446 176.231 176.600 0.127 0.000 1.053 354 K CA 2.225 58.559 56.287 0.077 0.000 0.966 354 K CB -2.067 30.465 32.500 0.054 0.000 0.735 354 K HN 0.336 nan 8.250 nan 0.000 0.455 355 P HA -0.188 nan 4.420 nan 0.000 0.214 355 P C 1.049 178.321 177.300 -0.047 0.000 1.163 355 P CA 1.851 64.916 63.100 -0.058 0.000 0.883 355 P CB -0.300 31.274 31.700 -0.209 0.000 0.788 356 H N -1.264 117.830 119.070 0.041 0.000 2.353 356 H HA -0.128 4.427 4.556 -0.001 0.000 0.298 356 H C 2.030 177.396 175.328 0.063 0.000 1.103 356 H CA 1.566 57.624 56.048 0.017 0.000 1.293 356 H CB -1.258 28.451 29.762 -0.089 0.000 1.372 356 H HN 0.102 nan 8.280 nan 0.000 0.501 357 F N 0.916 120.942 119.950 0.127 0.000 2.134 357 F HA -0.164 4.362 4.527 -0.002 0.000 0.299 357 F C 2.413 178.210 175.800 -0.004 0.000 1.097 357 F CA 0.981 59.008 58.000 0.044 0.000 1.264 357 F CB -0.022 38.988 39.000 0.018 0.000 1.001 357 F HN -0.037 nan 8.300 nan 0.000 0.479 358 K N 0.582 121.096 120.400 0.190 0.000 2.360 358 K HA -0.128 4.191 4.320 -0.001 0.000 0.201 358 K C 2.072 178.692 176.600 0.034 0.000 1.046 358 K CA 1.259 57.600 56.287 0.090 0.000 0.945 358 K CB -0.655 31.880 32.500 0.059 0.000 0.750 358 K HN 0.311 nan 8.250 nan 0.000 0.464 359 S N -0.333 115.389 115.700 0.037 0.000 2.603 359 S HA -0.004 4.465 4.470 -0.001 0.000 0.229 359 S C 1.438 175.992 174.600 -0.075 0.000 0.972 359 S CA 0.289 58.497 58.200 0.013 0.000 0.935 359 S CB -0.096 63.158 63.200 0.090 0.000 0.769 359 S HN 0.293 nan 8.310 nan 0.000 0.536 360 L N -0.072 121.060 121.223 -0.152 0.000 2.858 360 L HA 0.460 4.799 4.340 -0.001 0.000 0.251 360 L C 1.535 178.294 176.870 -0.185 0.000 1.149 360 L CA 0.179 54.834 54.840 -0.308 0.000 0.955 360 L CB 0.173 41.859 42.059 -0.621 0.000 1.289 360 L HN 0.468 nan 8.230 nan 0.000 0.542 361 G N -0.065 108.695 108.800 -0.066 0.000 2.141 361 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.231 361 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.231 361 G C 0.016 174.958 174.900 0.071 0.000 0.984 361 G CA -0.352 44.748 45.100 -0.001 0.000 0.660 361 G HN 0.240 nan 8.290 nan 0.000 0.525 362 Q N 0.374 120.243 119.800 0.114 0.000 2.312 362 Q HA 0.615 4.954 4.340 -0.001 0.000 0.263 362 Q C -0.522 175.616 176.000 0.229 0.000 0.995 362 Q CA -0.180 55.777 55.803 0.257 0.000 0.853 362 Q CB 1.808 30.798 28.738 0.421 0.000 1.300 362 Q HN 0.166 nan 8.270 nan 0.000 0.448 363 T N 3.427 118.111 114.554 0.216 0.000 3.042 363 T HA 0.390 4.739 4.350 -0.001 0.000 0.356 363 T C 0.761 175.484 174.700 0.039 0.000 1.233 363 T CA -0.466 61.704 62.100 0.115 0.000 1.038 363 T CB -0.388 68.541 68.868 0.102 0.000 1.089 363 T HN 0.485 nan 8.240 nan 0.000 0.531 364 I N 1.240 121.732 120.570 -0.130 0.000 2.938 364 I HA 0.676 4.845 4.170 -0.001 0.000 0.285 364 I C 0.304 176.439 176.117 0.030 0.000 1.182 364 I CA -0.269 60.876 61.300 -0.259 0.000 1.388 364 I CB 0.762 38.353 38.000 -0.682 0.000 1.390 364 I HN 0.557 nan 8.210 nan 0.000 0.600 365 T N 1.711 116.339 114.554 0.124 0.000 2.893 365 T HA 0.483 4.832 4.350 -0.001 0.000 0.337 365 T C -3.025 171.513 174.700 -0.271 0.000 1.587 365 T CA -1.239 60.875 62.100 0.022 0.000 1.066 365 T CB 1.662 70.505 68.868 -0.042 0.000 1.414 365 T HN 0.620 nan 8.240 nan 0.000 0.488 366 P HA 0.320 nan 4.420 nan 0.000 0.271 366 P C 0.713 177.800 177.300 -0.354 0.000 1.233 366 P CA -0.092 62.465 63.100 -0.904 0.000 0.789 366 P CB 0.370 31.565 31.700 -0.842 0.000 0.951 367 A N 0.836 123.512 122.820 -0.240 0.000 1.935 367 A HA -0.039 4.280 4.320 -0.001 0.000 0.214 367 A C 1.213 178.751 177.584 -0.077 0.000 1.178 367 A CA 1.094 53.067 52.037 -0.106 0.000 0.640 367 A CB -0.892 18.077 19.000 -0.052 0.000 0.825 367 A HN 0.420 nan 8.150 nan 0.000 0.447 368 D N 0.488 120.841 120.400 -0.078 0.000 2.934 368 D HA 0.371 5.010 4.640 -0.001 0.000 0.237 368 D C 1.488 177.752 176.300 -0.060 0.000 1.158 368 D CA 0.680 54.666 54.000 -0.024 0.000 0.971 368 D CB 0.151 40.984 40.800 0.054 0.000 1.123 368 D HN 0.401 nan 8.370 nan 0.000 0.467 369 K N 0.071 120.426 120.400 -0.076 0.000 2.442 369 K HA -0.115 4.205 4.320 -0.001 0.000 0.199 369 K C 1.672 178.242 176.600 -0.050 0.000 1.044 369 K CA 1.554 57.791 56.287 -0.084 0.000 0.941 369 K CB -0.958 31.500 32.500 -0.069 0.000 0.759 369 K HN 0.384 nan 8.250 nan 0.000 0.472 370 S N 0.007 115.690 115.700 -0.028 0.000 2.763 370 S HA 0.408 4.877 4.470 -0.001 0.000 0.237 370 S C 1.339 175.935 174.600 -0.006 0.000 0.966 370 S CA 0.770 58.962 58.200 -0.013 0.000 1.017 370 S CB -0.872 62.327 63.200 -0.002 0.000 0.780 370 S HN 0.789 nan 8.310 nan 0.000 0.476 371 D N -0.277 120.113 120.400 -0.017 0.000 2.855 371 D HA 0.637 5.276 4.640 -0.001 0.000 0.257 371 D C 1.408 177.697 176.300 -0.018 0.000 1.542 371 D CA 1.791 55.787 54.000 -0.007 0.000 1.164 371 D CB -0.450 40.352 40.800 0.004 0.000 1.004 371 D HN 0.733 nan 8.370 nan 0.000 0.293 372 K N -2.055 118.320 120.400 -0.041 0.000 2.159 372 K HA 0.507 4.826 4.320 -0.001 0.000 0.154 372 K C 0.915 177.483 176.600 -0.053 0.000 2.479 372 K CA 1.155 57.424 56.287 -0.030 0.000 1.260 372 K CB -0.335 32.167 32.500 0.003 0.000 2.751 372 K HN 1.605 nan 8.250 nan 0.000 0.414 373 G N -0.220 108.553 108.800 -0.045 0.000 2.695 373 G HA2 0.596 4.556 3.960 -0.001 0.000 0.290 373 G HA3 0.596 4.556 3.960 -0.001 0.000 0.290 373 G C -1.063 173.827 174.900 -0.016 0.000 1.410 373 G CA -0.559 44.527 45.100 -0.024 0.000 0.844 373 G HN 0.425 nan 8.290 nan 0.000 0.478 374 F N 0.448 120.434 119.950 0.061 0.000 2.602 374 F HA 0.370 4.896 4.527 -0.002 0.000 0.385 374 F C 1.198 177.091 175.800 0.155 0.000 1.063 374 F CA 0.217 58.281 58.000 0.106 0.000 1.233 374 F CB 0.966 40.062 39.000 0.161 0.000 1.067 374 F HN 0.307 nan 8.300 nan 0.000 0.564 375 V N 3.468 123.522 119.914 0.233 0.000 3.113 375 V HA 0.710 4.829 4.120 -0.001 0.000 0.316 375 V C -0.760 175.426 176.094 0.154 0.000 1.125 375 V CA -1.056 61.357 62.300 0.189 0.000 1.026 375 V CB 1.891 33.799 31.823 0.141 0.000 1.080 375 V HN 0.488 nan 8.190 nan 0.000 0.444 376 L N 2.120 123.434 121.223 0.150 0.000 2.431 376 L HA 0.958 5.297 4.340 -0.001 0.000 0.260 376 L C 1.431 178.323 176.870 0.036 0.000 1.098 376 L CA 1.424 56.293 54.840 0.049 0.000 0.800 376 L CB 0.800 42.923 42.059 0.108 0.000 1.210 376 L HN 1.300 nan 8.230 nan 0.000 0.465 377 G N -0.734 108.034 108.800 -0.054 0.000 2.956 377 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.210 377 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.210 377 G C 0.209 175.086 174.900 -0.039 0.000 1.316 377 G CA 0.007 45.093 45.100 -0.024 0.000 0.819 377 G HN 0.699 nan 8.290 nan 0.000 0.544 378 H N 2.724 121.681 119.070 -0.187 0.000 3.212 378 H HA 0.346 4.901 4.556 -0.001 0.000 0.292 378 H C 1.403 176.628 175.328 -0.173 0.000 0.922 378 H CA 1.070 57.018 56.048 -0.167 0.000 1.389 378 H CB 0.446 30.085 29.762 -0.205 0.000 1.321 378 H HN 0.810 nan 8.280 nan 0.000 0.563 379 S N 2.480 118.165 115.700 -0.026 0.000 2.690 379 S HA 0.246 4.715 4.470 -0.001 0.000 0.285 379 S C 1.352 175.936 174.600 -0.028 0.000 1.135 379 S CA -0.973 57.212 58.200 -0.025 0.000 1.020 379 S CB 0.930 64.128 63.200 -0.004 0.000 1.159 379 S HN 0.677 nan 8.310 nan 0.000 0.534 380 I N 1.180 121.718 120.570 -0.054 0.000 3.550 380 I HA -0.023 4.146 4.170 -0.001 0.000 0.295 380 I C 1.233 177.336 176.117 -0.023 0.000 1.291 380 I CA 0.825 62.025 61.300 -0.167 0.000 1.298 380 I CB -0.664 37.101 38.000 -0.391 0.000 1.026 380 I HN 0.937 nan 8.210 nan 0.000 0.491 381 T N -4.308 110.309 114.554 0.104 0.000 3.176 381 T HA 0.200 4.549 4.350 -0.001 0.000 0.263 381 T C 0.651 175.475 174.700 0.206 0.000 1.021 381 T CA -0.375 61.870 62.100 0.241 0.000 0.905 381 T CB -0.069 68.939 68.868 0.234 0.000 1.057 381 T HN 0.213 nan 8.240 nan 0.000 0.558 382 D N 1.271 121.749 120.400 0.130 0.000 2.474 382 D HA 0.178 4.817 4.640 -0.001 0.000 0.213 382 D C 1.064 177.441 176.300 0.128 0.000 1.120 382 D CA 0.128 54.199 54.000 0.118 0.000 0.836 382 D CB 1.280 42.090 40.800 0.016 0.000 1.019 382 D HN 0.527 nan 8.370 nan 0.000 0.507 383 V N -1.006 118.972 119.914 0.107 0.000 3.234 383 V HA 0.728 4.848 4.120 -0.001 0.000 0.317 383 V C 0.225 176.333 176.094 0.024 0.000 1.081 383 V CA -0.291 62.042 62.300 0.054 0.000 1.037 383 V CB 1.659 33.479 31.823 -0.005 0.000 1.148 383 V HN -0.185 nan 8.190 nan 0.000 0.453 384 T N 1.921 116.480 114.554 0.009 0.000 2.886 384 T HA 0.667 5.016 4.350 -0.001 0.000 0.292 384 T C -1.654 173.186 174.700 0.234 0.000 1.012 384 T CA -0.008 62.082 62.100 -0.016 0.000 0.982 384 T CB 1.214 69.979 68.868 -0.172 0.000 1.018 384 T HN 0.768 nan 8.240 nan 0.000 0.451 385 F N 4.681 124.711 119.950 0.133 0.000 2.585 385 F HA 0.483 5.009 4.527 -0.002 0.000 0.319 385 F C 0.015 175.962 175.800 0.244 0.000 1.165 385 F CA -1.606 56.507 58.000 0.189 0.000 0.949 385 F CB 0.545 39.675 39.000 0.217 0.000 1.218 385 F HN 0.570 nan 8.300 nan 0.000 0.453 386 L N 6.392 127.487 121.223 -0.213 0.000 3.865 386 L HA -0.344 3.995 4.340 -0.001 0.000 0.408 386 L C 0.490 177.260 176.870 -0.167 0.000 1.209 386 L CA 0.655 55.317 54.840 -0.298 0.000 0.940 386 L CB -1.299 40.487 42.059 -0.456 0.000 1.971 386 L HN 0.784 nan 8.230 nan 0.000 0.899 387 K N -2.146 118.209 120.400 -0.075 0.000 3.339 387 K HA -0.118 4.202 4.320 -0.001 0.000 0.299 387 K C 0.207 176.783 176.600 -0.040 0.000 1.270 387 K CA 1.276 57.530 56.287 -0.055 0.000 0.875 387 K CB -1.108 31.346 32.500 -0.078 0.000 1.298 387 K HN 0.676 nan 8.250 nan 0.000 0.485 388 R N 0.423 120.911 120.500 -0.019 0.000 2.561 388 R HA 0.382 4.721 4.340 -0.001 0.000 0.297 388 R C -0.416 175.964 176.300 0.133 0.000 0.969 388 R CA -0.871 55.232 56.100 0.006 0.000 0.879 388 R CB 1.126 31.240 30.300 -0.309 0.000 1.178 388 R HN 0.084 nan 8.270 nan 0.000 0.445 389 H N 1.314 120.376 119.070 -0.013 0.000 2.547 389 H HA 0.200 4.756 4.556 -0.001 0.000 0.362 389 H C -0.507 174.854 175.328 0.055 0.000 1.181 389 H CA -0.188 55.888 56.048 0.046 0.000 1.376 389 H CB 0.427 30.147 29.762 -0.071 0.000 1.488 389 H HN 0.364 nan 8.280 nan 0.000 0.583 390 F N 1.708 121.859 119.950 0.335 0.000 2.390 390 F HA 0.228 4.754 4.527 -0.002 0.000 0.361 390 F C 0.608 176.729 175.800 0.534 0.000 1.124 390 F CA 0.098 58.316 58.000 0.364 0.000 1.149 390 F CB 0.135 39.187 39.000 0.088 0.000 1.160 390 F HN 0.465 nan 8.300 nan 0.000 0.501 391 H N 2.458 121.836 119.070 0.514 0.000 2.679 391 H HA 0.485 5.041 4.556 -0.001 0.000 0.367 391 H C -0.575 174.964 175.328 0.352 0.000 1.162 391 H CA -1.500 54.766 56.048 0.362 0.000 1.181 391 H CB 2.350 32.238 29.762 0.211 0.000 1.693 391 H HN 0.511 nan 8.280 nan 0.000 0.538 392 M N 1.700 121.481 119.600 0.302 0.000 2.367 392 M HA 0.167 4.646 4.480 -0.001 0.000 0.339 392 M C -0.897 175.515 176.300 0.187 0.000 1.177 392 M CA -0.299 55.064 55.300 0.105 0.000 1.068 392 M CB 1.144 33.672 32.600 -0.120 0.000 1.602 392 M HN 0.558 nan 8.290 nan 0.000 0.457 393 D N 3.353 123.908 120.400 0.258 0.000 2.280 393 D HA 0.359 4.999 4.640 -0.001 0.000 0.243 393 D C 1.012 177.467 176.300 0.258 0.000 1.129 393 D CA 0.414 54.600 54.000 0.311 0.000 0.848 393 D CB 0.607 41.736 40.800 0.548 0.000 1.107 393 D HN 0.606 nan 8.370 nan 0.000 0.471 394 Y N 2.357 122.769 120.300 0.186 0.000 1.956 394 Y HA -0.219 4.330 4.550 -0.001 0.000 0.258 394 Y C 2.331 178.345 175.900 0.189 0.000 1.152 394 Y CA 1.894 60.076 58.100 0.138 0.000 1.093 394 Y CB -1.632 36.880 38.460 0.087 0.000 0.945 394 Y HN 0.640 nan 8.280 nan 0.000 0.488 395 G N -1.047 107.900 108.800 0.246 0.000 2.499 395 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.221 395 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.221 395 G C 1.474 176.559 174.900 0.308 0.000 1.109 395 G CA 2.685 47.956 45.100 0.287 0.000 0.749 395 G HN 1.180 nan 8.290 nan 0.000 0.568 396 T N -4.974 109.806 114.554 0.376 0.000 2.986 396 T HA 0.401 4.751 4.350 -0.001 0.000 0.264 396 T C 1.788 176.754 174.700 0.443 0.000 0.964 396 T CA 0.873 63.222 62.100 0.415 0.000 0.895 396 T CB 0.367 69.504 68.868 0.448 0.000 1.163 396 T HN 1.331 nan 8.240 nan 0.000 0.517 397 G N 1.283 110.248 108.800 0.275 0.000 2.179 397 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.257 397 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.257 397 G C -0.155 174.712 174.900 -0.055 0.000 1.010 397 G CA 0.188 45.329 45.100 0.068 0.000 0.736 397 G HN 0.595 nan 8.290 nan 0.000 0.513 398 F N -1.085 118.947 119.950 0.136 0.000 2.470 398 F HA 0.699 5.225 4.527 -0.001 0.000 0.329 398 F C 0.764 176.749 175.800 0.307 0.000 1.072 398 F CA -1.375 56.739 58.000 0.190 0.000 0.989 398 F CB 0.963 40.051 39.000 0.147 0.000 1.193 398 F HN 0.028 nan 8.300 nan 0.000 0.481 399 Y N 1.581 122.186 120.300 0.508 0.000 2.314 399 Y HA 0.391 4.941 4.550 -0.001 0.000 0.334 399 Y C -0.096 176.151 175.900 0.580 0.000 1.266 399 Y CA -0.299 58.102 58.100 0.501 0.000 1.391 399 Y CB 0.972 39.724 38.460 0.487 0.000 1.306 399 Y HN 0.403 nan 8.280 nan 0.000 0.558 400 K N 1.722 122.508 120.400 0.644 0.000 2.557 400 K HA 0.424 4.744 4.320 -0.001 0.000 0.257 400 K C -3.535 173.055 176.600 -0.017 0.000 0.933 400 K CA -2.123 54.289 56.287 0.208 0.000 0.820 400 K CB 2.299 34.677 32.500 -0.202 0.000 1.330 400 K HN 0.123 nan 8.250 nan 0.000 0.432 401 P HA 0.081 nan 4.420 nan 0.000 0.276 401 P C -0.675 176.391 177.300 -0.389 0.000 1.253 401 P CA -0.366 62.273 63.100 -0.769 0.000 0.766 401 P CB 1.034 31.921 31.700 -1.356 0.000 0.845 402 V N 5.607 125.381 119.914 -0.232 0.000 2.531 402 V HA 0.381 4.500 4.120 -0.001 0.000 0.301 402 V C 0.434 176.461 176.094 -0.112 0.000 1.034 402 V CA -0.527 61.662 62.300 -0.184 0.000 0.865 402 V CB 1.665 33.283 31.823 -0.342 0.000 0.995 402 V HN 0.476 nan 8.190 nan 0.000 0.424 403 M N 3.432 122.972 119.600 -0.101 0.000 2.363 403 M HA 0.667 5.146 4.480 -0.001 0.000 0.343 403 M C 0.534 176.769 176.300 -0.108 0.000 1.165 403 M CA -0.462 54.800 55.300 -0.064 0.000 1.046 403 M CB 1.644 34.187 32.600 -0.094 0.000 1.648 403 M HN 0.707 nan 8.290 nan 0.000 0.452 404 A N 1.854 124.629 122.820 -0.074 0.000 2.587 404 A HA 0.060 4.380 4.320 -0.001 0.000 0.235 404 A C 1.073 178.586 177.584 -0.119 0.000 1.044 404 A CA 0.078 52.060 52.037 -0.092 0.000 0.754 404 A CB 0.007 19.006 19.000 -0.001 0.000 0.968 404 A HN 0.980 nan 8.150 nan 0.000 0.509 405 S N 1.518 117.139 115.700 -0.132 0.000 2.399 405 S HA -0.117 4.352 4.470 -0.001 0.000 0.231 405 S C 1.839 176.309 174.600 -0.217 0.000 1.022 405 S CA 1.430 59.517 58.200 -0.189 0.000 0.983 405 S CB -0.125 62.973 63.200 -0.170 0.000 0.803 405 S HN 0.730 nan 8.310 nan 0.000 0.480 406 K N 0.924 121.250 120.400 -0.123 0.000 2.211 406 K HA 0.040 4.359 4.320 -0.001 0.000 0.203 406 K C 2.045 178.531 176.600 -0.190 0.000 1.050 406 K CA 0.971 57.213 56.287 -0.074 0.000 0.945 406 K CB -0.675 31.876 32.500 0.084 0.000 0.732 406 K HN 0.347 nan 8.250 nan 0.000 0.451 407 T N 2.189 116.623 114.554 -0.200 0.000 2.735 407 T HA 0.017 4.366 4.350 -0.001 0.000 0.256 407 T C 2.071 176.559 174.700 -0.355 0.000 1.042 407 T CA 0.564 62.474 62.100 -0.317 0.000 1.147 407 T CB -0.254 68.518 68.868 -0.160 0.000 0.865 407 T HN 0.055 nan 8.240 nan 0.000 0.421 408 L N 0.890 121.944 121.223 -0.283 0.000 2.089 408 L HA -0.216 4.123 4.340 -0.001 0.000 0.213 408 L C 2.733 179.378 176.870 -0.376 0.000 1.079 408 L CA 1.586 56.243 54.840 -0.305 0.000 0.758 408 L CB -0.522 41.355 42.059 -0.304 0.000 0.891 408 L HN 0.394 nan 8.230 nan 0.000 0.433 409 E N -0.515 119.414 120.200 -0.452 0.000 2.072 409 E HA -0.189 4.160 4.350 -0.001 0.000 0.190 409 E C 2.311 178.715 176.600 -0.327 0.000 0.982 409 E CA 0.936 57.002 56.400 -0.557 0.000 0.803 409 E CB -0.119 29.187 29.700 -0.657 0.000 0.755 409 E HN 0.508 nan 8.360 nan 0.000 0.453 410 A N 1.297 123.873 122.820 -0.407 0.000 1.892 410 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 410 A C 2.153 179.640 177.584 -0.163 0.000 1.188 410 A CA 1.473 53.253 52.037 -0.428 0.000 0.631 410 A CB -0.744 17.528 19.000 -1.214 0.000 0.822 410 A HN 0.186 nan 8.150 nan 0.000 0.447 411 I N -0.575 119.869 120.570 -0.209 0.000 2.394 411 I HA -0.197 3.973 4.170 -0.001 0.000 0.251 411 I C 1.853 177.958 176.117 -0.019 0.000 1.136 411 I CA 0.948 62.189 61.300 -0.099 0.000 1.425 411 I CB -0.135 37.780 38.000 -0.141 0.000 1.079 411 I HN 0.259 nan 8.210 nan 0.000 0.425 412 L N -0.499 120.697 121.223 -0.045 0.000 2.591 412 L HA 0.044 4.384 4.340 -0.001 0.000 0.228 412 L C 1.929 178.883 176.870 0.141 0.000 1.133 412 L CA 0.252 55.121 54.840 0.049 0.000 0.880 412 L CB -0.187 41.892 42.059 0.032 0.000 1.033 412 L HN 0.116 nan 8.230 nan 0.000 0.450 413 S N -0.468 115.244 115.700 0.019 0.000 2.528 413 S HA 0.180 4.649 4.470 -0.001 0.000 0.219 413 S C 0.024 174.284 174.600 -0.567 0.000 0.985 413 S CA 0.342 58.362 58.200 -0.300 0.000 0.914 413 S CB 0.084 62.899 63.200 -0.642 0.000 0.776 413 S HN 0.137 nan 8.310 nan 0.000 0.526 414 F N 0.652 120.652 119.950 0.084 0.000 2.574 414 F HA 0.703 5.230 4.527 -0.001 0.000 0.313 414 F C -0.116 175.714 175.800 0.050 0.000 1.130 414 F CA -0.993 57.057 58.000 0.083 0.000 0.936 414 F CB 1.534 40.572 39.000 0.063 0.000 1.219 414 F HN -0.079 nan 8.300 nan 0.000 0.445 415 A N 2.953 125.897 122.820 0.207 0.000 2.454 415 A HA 0.850 5.169 4.320 -0.001 0.000 0.302 415 A C -0.565 177.083 177.584 0.106 0.000 1.079 415 A CA -1.020 51.085 52.037 0.114 0.000 0.731 415 A CB 1.403 20.434 19.000 0.052 0.000 1.299 415 A HN 0.819 nan 8.150 nan 0.000 0.413 416 R N 0.032 120.572 120.500 0.066 0.000 2.784 416 R HA 0.426 4.765 4.340 -0.001 0.000 0.266 416 R C 1.095 177.425 176.300 0.050 0.000 1.044 416 R CA 0.621 56.754 56.100 0.054 0.000 1.151 416 R CB 0.199 30.518 30.300 0.033 0.000 1.037 416 R HN 0.936 nan 8.270 nan 0.000 0.478 417 R N 1.643 122.173 120.500 0.050 0.000 2.494 417 R HA 0.108 4.448 4.340 -0.001 0.000 0.291 417 R C 0.981 177.305 176.300 0.040 0.000 0.953 417 R CA 0.582 56.711 56.100 0.049 0.000 1.098 417 R CB -1.420 28.906 30.300 0.043 0.000 0.911 417 R HN 0.982 nan 8.270 nan 0.000 0.407 418 G N 1.799 110.629 108.800 0.050 0.000 2.369 418 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.286 418 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.286 418 G C 0.681 175.588 174.900 0.011 0.000 0.938 418 G CA 0.833 45.960 45.100 0.045 0.000 1.271 418 G HN 1.117 nan 8.290 nan 0.000 0.488 419 T N -0.122 114.423 114.554 -0.016 0.000 2.986 419 T HA 0.205 4.554 4.350 -0.001 0.000 0.264 419 T C 2.534 177.153 174.700 -0.135 0.000 0.964 419 T CA 0.347 62.416 62.100 -0.053 0.000 0.895 419 T CB 0.097 68.946 68.868 -0.031 0.000 1.163 419 T HN 0.375 nan 8.240 nan 0.000 0.517 420 I N 1.727 122.186 120.570 -0.185 0.000 2.248 420 I HA -0.267 3.903 4.170 -0.001 0.000 0.248 420 I C 2.569 178.324 176.117 -0.603 0.000 1.107 420 I CA 1.489 62.569 61.300 -0.367 0.000 1.373 420 I CB -0.102 37.647 38.000 -0.418 0.000 1.055 420 I HN 0.239 nan 8.210 nan 0.000 0.418 421 Q N 1.225 120.676 119.800 -0.582 0.000 2.049 421 Q HA -0.242 4.098 4.340 -0.001 0.000 0.198 421 Q C 1.982 177.820 176.000 -0.271 0.000 0.971 421 Q CA 1.805 57.319 55.803 -0.481 0.000 0.833 421 Q CB -0.145 28.474 28.738 -0.199 0.000 0.896 421 Q HN 0.365 nan 8.270 nan 0.000 0.434 422 E N 0.716 120.806 120.200 -0.183 0.000 2.058 422 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 422 E C 1.818 178.333 176.600 -0.141 0.000 0.997 422 E CA 1.962 58.285 56.400 -0.129 0.000 0.801 422 E CB -0.281 29.366 29.700 -0.087 0.000 0.746 422 E HN 0.405 nan 8.360 nan 0.000 0.450 423 K N 0.003 120.311 120.400 -0.154 0.000 2.063 423 K HA -0.158 4.162 4.320 -0.001 0.000 0.208 423 K C 2.251 178.756 176.600 -0.158 0.000 1.048 423 K CA 1.579 57.786 56.287 -0.133 0.000 0.928 423 K CB -0.330 32.097 32.500 -0.121 0.000 0.713 423 K HN 0.247 nan 8.250 nan 0.000 0.442 424 L N 0.849 121.927 121.223 -0.242 0.000 2.083 424 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 424 L C 2.330 179.058 176.870 -0.236 0.000 1.083 424 L CA 0.574 55.243 54.840 -0.285 0.000 0.752 424 L CB -0.313 41.464 42.059 -0.471 0.000 0.899 424 L HN 0.290 nan 8.230 nan 0.000 0.433 425 I N -1.137 119.314 120.570 -0.197 0.000 2.252 425 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 425 I C 2.737 178.792 176.117 -0.103 0.000 1.102 425 I CA 1.182 62.393 61.300 -0.150 0.000 1.385 425 I CB -1.371 36.560 38.000 -0.115 0.000 1.064 425 I HN 0.147 nan 8.210 nan 0.000 0.414 426 S N 0.732 116.376 115.700 -0.093 0.000 2.351 426 S HA -0.128 4.341 4.470 -0.001 0.000 0.220 426 S C 2.111 176.678 174.600 -0.056 0.000 1.035 426 S CA 1.442 59.600 58.200 -0.070 0.000 1.031 426 S CB -0.239 62.919 63.200 -0.071 0.000 0.928 426 S HN 0.238 nan 8.310 nan 0.000 0.433 427 V N 1.999 121.884 119.914 -0.049 0.000 3.078 427 V HA -0.082 4.037 4.120 -0.001 0.000 0.265 427 V C 2.367 178.512 176.094 0.086 0.000 1.122 427 V CA 1.222 63.518 62.300 -0.007 0.000 1.141 427 V CB -1.153 30.668 31.823 -0.003 0.000 0.735 427 V HN 0.550 nan 8.190 nan 0.000 0.498 428 A N 0.782 123.632 122.820 0.050 0.000 1.873 428 A HA -0.057 4.262 4.320 -0.001 0.000 0.215 428 A C 2.343 180.010 177.584 0.138 0.000 1.186 428 A CA 1.700 53.801 52.037 0.108 0.000 0.616 428 A CB -0.996 17.963 19.000 -0.067 0.000 0.823 428 A HN 0.526 nan 8.150 nan 0.000 0.442 429 G N -0.818 107.987 108.800 0.009 0.000 2.776 429 G HA2 0.114 4.073 3.960 -0.001 0.000 0.209 429 G HA3 0.114 4.073 3.960 -0.001 0.000 0.209 429 G C 1.268 176.090 174.900 -0.130 0.000 1.145 429 G CA 0.612 45.669 45.100 -0.073 0.000 0.791 429 G HN 0.423 nan 8.290 nan 0.000 0.530 430 L N -0.280 120.899 121.223 -0.073 0.000 2.249 430 L HA 0.198 4.537 4.340 -0.001 0.000 0.207 430 L C 2.843 179.663 176.870 -0.085 0.000 1.090 430 L CA 0.866 55.656 54.840 -0.084 0.000 0.802 430 L CB -0.078 41.931 42.059 -0.083 0.000 0.947 430 L HN 0.250 nan 8.230 nan 0.000 0.453 431 A N -0.220 122.594 122.820 -0.010 0.000 2.275 431 A HA 0.116 4.436 4.320 -0.001 0.000 0.212 431 A C 2.093 179.800 177.584 0.204 0.000 1.201 431 A CA 0.180 52.248 52.037 0.053 0.000 0.843 431 A CB -0.270 18.727 19.000 -0.006 0.000 0.873 431 A HN 0.158 nan 8.150 nan 0.000 0.492 432 V N -0.506 119.407 119.914 -0.002 0.000 2.287 432 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 432 V C 2.013 177.990 176.094 -0.195 0.000 1.053 432 V CA 1.996 64.167 62.300 -0.215 0.000 1.027 432 V CB -1.350 30.075 31.823 -0.664 0.000 0.646 432 V HN 0.695 nan 8.190 nan 0.000 0.447 433 H N 0.312 119.317 119.070 -0.108 0.000 2.556 433 H HA 0.145 4.700 4.556 -0.001 0.000 0.268 433 H C 2.063 177.360 175.328 -0.051 0.000 0.996 433 H CA 0.950 56.892 56.048 -0.177 0.000 1.157 433 H CB -0.069 29.518 29.762 -0.292 0.000 1.355 433 H HN 0.491 nan 8.280 nan 0.000 0.597 434 S N -0.256 115.497 115.700 0.089 0.000 2.575 434 S HA 0.316 4.786 4.470 -0.001 0.000 0.215 434 S C 1.190 175.836 174.600 0.077 0.000 0.966 434 S CA 0.284 58.526 58.200 0.069 0.000 0.911 434 S CB 0.568 63.783 63.200 0.024 0.000 0.780 434 S HN 0.776 nan 8.310 nan 0.000 0.514 435 G N 2.211 111.080 108.800 0.115 0.000 2.661 435 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.685 435 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.685 435 G C -2.690 172.106 174.900 -0.172 0.000 1.298 435 G CA -0.485 44.616 45.100 0.001 0.000 0.855 435 G HN 0.086 nan 8.290 nan 0.000 0.560 436 P HA 0.073 nan 4.420 nan 0.000 0.217 436 P C 1.188 178.307 177.300 -0.301 0.000 1.154 436 P CA 1.425 63.970 63.100 -0.925 0.000 0.841 436 P CB 0.171 31.306 31.700 -0.942 0.000 0.790 437 D N -0.126 120.163 120.400 -0.184 0.000 2.092 437 D HA -0.198 4.441 4.640 -0.001 0.000 0.193 437 D C 1.985 178.279 176.300 -0.009 0.000 0.994 437 D CA 1.383 55.341 54.000 -0.071 0.000 0.828 437 D CB -0.030 40.733 40.800 -0.062 0.000 0.963 437 D HN 0.118 nan 8.370 nan 0.000 0.450 438 E N -0.599 119.598 120.200 -0.004 0.000 2.051 438 E HA -0.147 4.202 4.350 -0.001 0.000 0.189 438 E C 2.077 178.696 176.600 0.031 0.000 0.979 438 E CA 0.482 56.882 56.400 -0.001 0.000 0.803 438 E CB -0.534 29.150 29.700 -0.027 0.000 0.761 438 E HN 0.290 nan 8.360 nan 0.000 0.451 439 Y N 1.395 121.681 120.300 -0.025 0.000 2.133 439 Y HA -0.399 4.151 4.550 -0.001 0.000 0.279 439 Y C 2.409 178.399 175.900 0.150 0.000 1.209 439 Y CA 2.719 60.869 58.100 0.083 0.000 1.152 439 Y CB -0.161 38.435 38.460 0.228 0.000 0.961 439 Y HN 0.009 nan 8.280 nan 0.000 0.512 440 R N 0.070 120.734 120.500 0.274 0.000 2.062 440 R HA -0.146 4.193 4.340 -0.001 0.000 0.229 440 R C 2.641 179.020 176.300 0.132 0.000 1.128 440 R CA 1.436 57.669 56.100 0.222 0.000 0.960 440 R CB -0.431 29.963 30.300 0.156 0.000 0.855 440 R HN 0.330 nan 8.270 nan 0.000 0.432 441 R N 0.717 121.262 120.500 0.075 0.000 2.080 441 R HA -0.113 4.226 4.340 -0.001 0.000 0.236 441 R C 2.291 178.655 176.300 0.107 0.000 1.137 441 R CA 1.702 57.850 56.100 0.081 0.000 0.943 441 R CB -0.507 29.823 30.300 0.050 0.000 0.846 441 R HN 0.327 nan 8.270 nan 0.000 0.431 442 L N -0.054 121.131 121.223 -0.064 0.000 2.270 442 L HA -0.205 4.134 4.340 -0.001 0.000 0.217 442 L C 1.289 178.002 176.870 -0.260 0.000 1.107 442 L CA 1.473 56.142 54.840 -0.285 0.000 0.772 442 L CB -0.170 41.495 42.059 -0.657 0.000 0.902 442 L HN 0.295 nan 8.230 nan 0.000 0.439 443 F N -1.949 118.067 119.950 0.110 0.000 2.706 443 F HA 0.053 4.579 4.527 -0.001 0.000 0.313 443 F C 1.985 177.938 175.800 0.256 0.000 1.096 443 F CA -0.357 57.754 58.000 0.185 0.000 1.219 443 F CB 0.399 39.359 39.000 -0.067 0.000 1.051 443 F HN -0.099 nan 8.300 nan 0.000 0.568 444 E N 1.966 122.339 120.200 0.290 0.000 2.065 444 E HA -0.219 4.130 4.350 -0.001 0.000 0.201 444 E C -0.759 175.890 176.600 0.082 0.000 1.016 444 E CA 2.081 58.573 56.400 0.155 0.000 0.818 444 E CB -1.024 28.719 29.700 0.072 0.000 0.749 444 E HN 0.119 nan 8.360 nan 0.000 0.453 445 P HA -0.203 nan 4.420 nan 0.000 0.219 445 P C 0.462 177.537 177.300 -0.376 0.000 1.153 445 P CA 1.587 64.481 63.100 -0.343 0.000 0.865 445 P CB -0.092 31.223 31.700 -0.642 0.000 0.788 446 F N -3.163 116.868 119.950 0.135 0.000 2.695 446 F HA 0.175 4.701 4.527 -0.002 0.000 0.303 446 F C 1.200 177.059 175.800 0.098 0.000 1.091 446 F CA -0.304 57.803 58.000 0.178 0.000 1.300 446 F CB -0.752 38.439 39.000 0.318 0.000 1.071 446 F HN -0.253 nan 8.300 nan 0.000 0.578 447 Q N 0.819 120.740 119.800 0.202 0.000 2.326 447 Q HA 0.158 4.497 4.340 -0.001 0.000 0.314 447 Q C 1.588 177.611 176.000 0.039 0.000 1.091 447 Q CA 0.961 56.831 55.803 0.111 0.000 0.974 447 Q CB 0.018 28.803 28.738 0.079 0.000 1.220 447 Q HN 0.598 nan 8.270 nan 0.000 0.398 448 G N 1.976 110.790 108.800 0.024 0.000 2.200 448 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.268 448 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.268 448 G C 0.543 175.401 174.900 -0.070 0.000 0.986 448 G CA 0.953 46.042 45.100 -0.017 0.000 0.677 448 G HN 0.541 nan 8.290 nan 0.000 0.532 449 L N -2.683 118.485 121.223 -0.092 0.000 2.586 449 L HA 0.577 4.916 4.340 -0.001 0.000 0.204 449 L C 0.568 177.130 176.870 -0.513 0.000 1.053 449 L CA 0.159 54.820 54.840 -0.299 0.000 0.856 449 L CB 0.408 42.302 42.059 -0.275 0.000 1.192 449 L HN 0.114 nan 8.230 nan 0.000 0.484 450 F N -0.439 119.566 119.950 0.092 0.000 2.611 450 F HA 0.326 4.852 4.527 -0.001 0.000 0.324 450 F C 0.201 176.007 175.800 0.010 0.000 1.061 450 F CA -1.277 56.755 58.000 0.052 0.000 0.954 450 F CB 1.121 40.158 39.000 0.061 0.000 1.301 450 F HN -0.205 nan 8.300 nan 0.000 0.482 451 E N 1.678 121.996 120.200 0.197 0.000 2.415 451 E HA 0.349 4.699 4.350 -0.001 0.000 0.263 451 E C -1.408 175.182 176.600 -0.017 0.000 0.995 451 E CA 0.008 56.449 56.400 0.069 0.000 0.915 451 E CB 0.278 30.002 29.700 0.040 0.000 0.951 451 E HN 0.404 nan 8.360 nan 0.000 0.449 452 I N 5.213 125.753 120.570 -0.050 0.000 2.439 452 I HA 0.328 4.497 4.170 -0.001 0.000 0.283 452 I C -2.278 173.789 176.117 -0.082 0.000 1.023 452 I CA -2.393 58.808 61.300 -0.166 0.000 1.100 452 I CB 1.176 39.084 38.000 -0.153 0.000 1.238 452 I HN 0.449 nan 8.210 nan 0.000 0.445 453 P HA 0.109 nan 4.420 nan 0.000 0.265 453 P C -0.136 177.206 177.300 0.070 0.000 1.187 453 P CA -0.114 62.977 63.100 -0.016 0.000 0.766 453 P CB 0.386 32.066 31.700 -0.032 0.000 0.820 454 S N 2.193 117.915 115.700 0.037 0.000 2.564 454 S HA 0.030 4.499 4.470 -0.001 0.000 0.278 454 S C 0.984 175.560 174.600 -0.040 0.000 1.333 454 S CA -0.457 57.775 58.200 0.055 0.000 1.048 454 S CB 0.144 63.367 63.200 0.037 0.000 0.900 454 S HN 0.500 nan 8.310 nan 0.000 0.505 455 Y N 3.290 123.444 120.300 -0.243 0.000 2.181 455 Y HA -0.251 4.298 4.550 -0.001 0.000 0.284 455 Y C 2.608 178.356 175.900 -0.252 0.000 1.179 455 Y CA 2.248 60.009 58.100 -0.564 0.000 1.179 455 Y CB -0.166 37.959 38.460 -0.557 0.000 0.973 455 Y HN 0.825 nan 8.280 nan 0.000 0.519 456 R N -0.091 120.389 120.500 -0.034 0.000 2.090 456 R HA -0.112 4.227 4.340 -0.001 0.000 0.228 456 R C 2.407 178.675 176.300 -0.053 0.000 1.110 456 R CA 1.484 57.584 56.100 0.001 0.000 0.973 456 R CB -0.363 29.985 30.300 0.080 0.000 0.869 456 R HN 0.486 nan 8.270 nan 0.000 0.440 457 S N 0.015 115.675 115.700 -0.066 0.000 2.453 457 S HA -0.053 4.416 4.470 -0.001 0.000 0.231 457 S C 1.911 176.458 174.600 -0.087 0.000 1.005 457 S CA 0.617 58.785 58.200 -0.054 0.000 0.949 457 S CB -0.172 63.007 63.200 -0.036 0.000 0.774 457 S HN 0.305 nan 8.310 nan 0.000 0.510 458 L N -0.787 120.334 121.223 -0.170 0.000 2.270 458 L HA 0.113 4.452 4.340 -0.001 0.000 0.210 458 L C 2.530 179.313 176.870 -0.145 0.000 1.104 458 L CA 0.942 55.674 54.840 -0.181 0.000 0.804 458 L CB -0.428 41.477 42.059 -0.257 0.000 0.937 458 L HN 0.267 nan 8.230 nan 0.000 0.450 459 Y N 0.800 120.884 120.300 -0.360 0.000 2.184 459 Y HA -0.147 4.402 4.550 -0.001 0.000 0.290 459 Y C 2.182 178.082 175.900 0.001 0.000 1.129 459 Y CA 1.389 59.361 58.100 -0.212 0.000 1.144 459 Y CB -0.131 38.151 38.460 -0.296 0.000 0.995 459 Y HN 0.003 nan 8.280 nan 0.000 0.513 460 L N -0.628 120.557 121.223 -0.063 0.000 2.240 460 L HA -0.085 4.254 4.340 -0.001 0.000 0.211 460 L C 2.610 179.405 176.870 -0.124 0.000 1.106 460 L CA 0.907 55.670 54.840 -0.128 0.000 0.793 460 L CB -0.568 41.457 42.059 -0.056 0.000 0.927 460 L HN 0.031 nan 8.230 nan 0.000 0.446 461 R N -0.059 120.398 120.500 -0.072 0.000 2.080 461 R HA -0.253 4.086 4.340 -0.001 0.000 0.236 461 R C 2.260 178.534 176.300 -0.043 0.000 1.137 461 R CA 2.397 58.466 56.100 -0.051 0.000 0.943 461 R CB -0.478 29.809 30.300 -0.023 0.000 0.846 461 R HN 0.412 nan 8.270 nan 0.000 0.431 462 W N 0.674 121.859 121.300 -0.192 0.000 2.353 462 W HA -0.206 4.453 4.660 -0.001 0.000 0.319 462 W C 1.872 178.244 176.519 -0.246 0.000 1.207 462 W CA 1.401 58.647 57.345 -0.164 0.000 1.291 462 W CB -0.783 28.615 29.460 -0.103 0.000 1.159 462 W HN -0.132 nan 8.180 nan 0.000 0.478 463 V N 1.477 121.104 119.914 -0.479 0.000 2.317 463 V HA -0.395 3.724 4.120 -0.001 0.000 0.251 463 V C 2.106 177.841 176.094 -0.599 0.000 1.065 463 V CA 2.478 64.315 62.300 -0.772 0.000 1.049 463 V CB -1.392 30.058 31.823 -0.623 0.000 0.651 463 V HN 0.407 nan 8.190 nan 0.000 0.450 464 N N -0.312 118.162 118.700 -0.378 0.000 2.520 464 N HA -0.060 4.679 4.740 -0.001 0.000 0.185 464 N C 1.479 176.831 175.510 -0.264 0.000 1.068 464 N CA 1.140 54.021 53.050 -0.281 0.000 0.911 464 N CB -0.075 38.305 38.487 -0.177 0.000 0.961 464 N HN 0.485 nan 8.380 nan 0.000 0.446 465 A N -0.544 122.090 122.820 -0.311 0.000 1.901 465 A HA 0.075 4.394 4.320 -0.001 0.000 0.210 465 A C 2.187 179.601 177.584 -0.283 0.000 1.208 465 A CA 0.813 52.711 52.037 -0.231 0.000 0.644 465 A CB -0.915 17.995 19.000 -0.151 0.000 0.863 465 A HN 0.193 nan 8.150 nan 0.000 0.454 466 V N -1.688 117.921 119.914 -0.509 0.000 2.490 466 V HA -0.099 4.021 4.120 -0.001 0.000 0.250 466 V C 0.540 176.407 176.094 -0.378 0.000 1.061 466 V CA 1.893 63.887 62.300 -0.511 0.000 1.064 466 V CB -0.169 31.062 31.823 -0.986 0.000 0.670 466 V HN 0.651 nan 8.190 nan 0.000 0.461 467 C N -0.100 118.942 119.300 -0.430 0.000 3.033 467 C HA 0.401 4.860 4.460 -0.001 0.000 0.385 467 C C 1.541 176.363 174.990 -0.280 0.000 0.945 467 C CA -0.735 58.119 59.018 -0.274 0.000 1.252 467 C CB -0.290 27.317 27.740 -0.222 0.000 1.553 467 C HN 0.623 nan 8.230 nan 0.000 0.563 468 G N 1.418 110.099 108.800 -0.198 0.000 2.517 468 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.222 468 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.222 468 G C 0.747 175.561 174.900 -0.143 0.000 1.109 468 G CA 1.843 46.840 45.100 -0.172 0.000 0.746 468 G HN 0.809 nan 8.290 nan 0.000 0.576 469 D N 0.209 120.545 120.400 -0.106 0.000 2.349 469 D HA 0.316 4.956 4.640 -0.001 0.000 0.224 469 D C 2.314 178.569 176.300 -0.074 0.000 1.029 469 D CA 0.649 54.612 54.000 -0.063 0.000 0.879 469 D CB 0.149 40.936 40.800 -0.022 0.000 0.906 469 D HN 0.356 nan 8.370 nan 0.000 0.528 470 A N 0.790 123.529 122.820 -0.135 0.000 2.030 470 A HA 0.331 4.650 4.320 -0.001 0.000 0.215 470 A C 2.245 179.697 177.584 -0.220 0.000 1.164 470 A CA 0.866 52.812 52.037 -0.152 0.000 0.697 470 A CB -0.474 18.401 19.000 -0.208 0.000 0.827 470 A HN 0.206 nan 8.150 nan 0.000 0.457 471 A N 0.450 123.114 122.820 -0.261 0.000 1.892 471 A HA 0.034 4.354 4.320 -0.001 0.000 0.218 471 A C 2.349 179.711 177.584 -0.371 0.000 1.188 471 A CA 2.196 54.061 52.037 -0.286 0.000 0.631 471 A CB -0.996 17.872 19.000 -0.220 0.000 0.822 471 A HN 1.143 nan 8.150 nan 0.000 0.447 472 A N -1.394 121.298 122.820 -0.214 0.000 2.235 472 A HA 0.389 4.709 4.320 -0.001 0.000 0.208 472 A C 2.022 179.550 177.584 -0.094 0.000 1.172 472 A CA 1.468 53.444 52.037 -0.103 0.000 0.786 472 A CB -0.804 18.206 19.000 0.017 0.000 0.804 472 A HN 1.240 nan 8.150 nan 0.000 0.479 473 L N -0.302 120.838 121.223 -0.137 0.000 2.357 473 L HA 0.206 4.546 4.340 -0.001 0.000 0.211 473 L C 2.054 178.875 176.870 -0.082 0.000 1.075 473 L CA 1.615 56.422 54.840 -0.055 0.000 0.830 473 L CB -1.468 40.582 42.059 -0.015 0.000 0.996 473 L HN 0.713 nan 8.230 nan 0.000 0.467 474 E N -1.405 118.680 120.200 -0.192 0.000 2.527 474 E HA -0.166 4.183 4.350 -0.001 0.000 0.204 474 E C 1.289 177.795 176.600 -0.157 0.000 1.132 474 E CA 1.203 57.508 56.400 -0.159 0.000 0.905 474 E CB -0.663 28.945 29.700 -0.153 0.000 0.875 474 E HN 0.849 nan 8.360 nan 0.000 0.548 475 H N -1.006 118.043 119.070 -0.035 0.000 2.415 475 H HA 0.185 4.741 4.556 -0.001 0.000 0.320 475 H C 0.764 176.066 175.328 -0.042 0.000 1.253 475 H CA -0.249 55.748 56.048 -0.085 0.000 1.883 475 H CB -0.094 29.555 29.762 -0.189 0.000 1.527 475 H HN 0.129 nan 8.280 nan 0.000 0.633 476 H N 0.000 119.167 119.070 0.162 0.000 2.539 476 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 476 H CA 0.000 56.099 56.048 0.084 0.000 1.023 476 H CB 0.000 29.799 29.762 0.062 0.000 1.292 476 H HN 0.000 nan 8.280 nan 0.000 0.496