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 2vhx_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRVGIPTETK NNEFRVAITP AGVAELTRRG HEVLIQAGAG EGSAITDADF DATA SEQUENCE KAAGAQLVGT ADQVWADADL LLKVKEPIAA EYGRLRHGQI LFTFLHLAAS DATA SEQUENCE RACTDALLDS GTTSIAYETV QTADGALPLL APMSEVAGRL AAQVGAYHLM DATA SEQUENCE RTQGGRGVLM GGVPGVEPAD VVVIGAGTAG YNAARIANGM GATVTVLDIN DATA SEQUENCE IDKLRQLDAE FCGRIHTRYS SAYELEGAVK RADLVIGAVL XXXXXAPKLV DATA SEQUENCE SNSLVAHMKP GAVLVDIAID QGGCFEGSRP TTYDHPTFAV HDTLFYCVAN DATA SEQUENCE MPASVPKTST YALTNATMPY VLELADHGWR AACRSNPALA KGLSTHEGAL DATA SEQUENCE LSERVATDLG VPFTEPASVL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.370 176.300 0.116 0.000 1.140 1 M CA 0.000 55.395 55.300 0.159 0.000 0.988 1 M CB 0.000 32.645 32.600 0.075 0.000 1.302 2 R N 0.911 121.439 120.500 0.046 0.000 2.265 2 R HA 0.764 5.104 4.340 -0.000 0.000 0.319 2 R C -1.310 174.979 176.300 -0.020 0.000 1.006 2 R CA -0.650 55.462 56.100 0.019 0.000 0.880 2 R CB 1.887 32.194 30.300 0.011 0.000 1.077 2 R HN 0.490 nan 8.270 nan 0.000 0.454 3 V N 2.269 122.162 119.914 -0.035 0.000 2.417 3 V HA 0.673 4.793 4.120 -0.000 0.000 0.291 3 V C 0.417 176.455 176.094 -0.093 0.000 1.024 3 V CA -0.748 61.510 62.300 -0.071 0.000 0.861 3 V CB 1.856 33.634 31.823 -0.076 0.000 0.985 3 V HN 0.920 nan 8.190 nan 0.000 0.436 4 G N 4.060 112.782 108.800 -0.130 0.000 2.513 4 G HA2 0.767 4.727 3.960 -0.000 0.000 0.317 4 G HA3 0.767 4.727 3.960 -0.000 0.000 0.317 4 G C -1.380 173.380 174.900 -0.233 0.000 1.277 4 G CA -0.472 44.522 45.100 -0.177 0.000 0.955 4 G HN 0.545 nan 8.290 nan 0.000 0.484 5 I N 3.695 124.124 120.570 -0.235 0.000 2.503 5 I HA 0.339 4.509 4.170 -0.000 0.000 0.282 5 I C -2.291 173.702 176.117 -0.206 0.000 1.059 5 I CA -1.793 59.368 61.300 -0.231 0.000 1.081 5 I CB 2.914 40.780 38.000 -0.223 0.000 1.210 5 I HN 0.268 nan 8.210 nan 0.000 0.450 6 P HA 0.328 nan 4.420 nan 0.000 0.281 6 P C -0.483 176.816 177.300 -0.002 0.000 1.264 6 P CA -0.475 62.569 63.100 -0.094 0.000 0.824 6 P CB 0.751 32.401 31.700 -0.084 0.000 1.092 7 T N 1.578 116.166 114.554 0.057 0.000 2.928 7 T HA 0.065 4.414 4.350 -0.000 0.000 0.305 7 T C 0.437 175.200 174.700 0.106 0.000 1.035 7 T CA -0.110 62.044 62.100 0.089 0.000 1.145 7 T CB -0.134 68.796 68.868 0.104 0.000 0.963 7 T HN 0.320 nan 8.240 nan 0.000 0.545 8 E N 2.298 122.559 120.200 0.102 0.000 2.414 8 E HA 0.076 4.426 4.350 -0.000 0.000 0.263 8 E C 1.156 177.803 176.600 0.078 0.000 1.000 8 E CA 0.168 56.623 56.400 0.091 0.000 0.914 8 E CB 0.810 30.555 29.700 0.075 0.000 0.948 8 E HN 0.855 nan 8.360 nan 0.000 0.444 9 T N -0.884 113.709 114.554 0.065 0.000 3.003 9 T HA 0.151 4.501 4.350 -0.000 0.000 0.261 9 T C 0.641 175.342 174.700 0.000 0.000 1.003 9 T CA -0.337 61.788 62.100 0.042 0.000 0.917 9 T CB 0.464 69.364 68.868 0.052 0.000 1.084 9 T HN 0.088 nan 8.240 nan 0.000 0.522 10 K N 2.620 123.014 120.400 -0.011 0.000 2.382 10 K HA 0.193 4.513 4.320 -0.000 0.000 0.275 10 K C 0.146 176.692 176.600 -0.090 0.000 1.009 10 K CA -0.483 55.782 56.287 -0.037 0.000 0.970 10 K CB 0.310 32.797 32.500 -0.021 0.000 0.934 10 K HN 0.113 nan 8.250 nan 0.000 0.479 11 N N 2.386 121.041 118.700 -0.075 0.000 2.411 11 N HA -0.093 4.647 4.740 -0.000 0.000 0.261 11 N C -0.522 174.887 175.510 -0.168 0.000 1.248 11 N CA 0.968 53.962 53.050 -0.094 0.000 0.885 11 N CB -0.189 38.275 38.487 -0.039 0.000 1.062 11 N HN 0.709 nan 8.380 nan 0.000 0.471 12 N N -0.548 117.947 118.700 -0.342 0.000 2.909 12 N HA -0.262 4.478 4.740 -0.000 0.000 0.242 12 N C -1.261 173.789 175.510 -0.767 0.000 0.975 12 N CA 0.757 53.466 53.050 -0.568 0.000 0.921 12 N CB -0.710 37.697 38.487 -0.133 0.000 1.112 12 N HN 0.624 nan 8.380 nan 0.000 0.581 13 E N 0.209 120.032 120.200 -0.629 0.000 2.167 13 E HA 0.341 4.691 4.350 -0.000 0.000 0.284 13 E C -0.324 175.962 176.600 -0.523 0.000 1.016 13 E CA 0.007 56.164 56.400 -0.406 0.000 0.817 13 E CB 0.229 29.844 29.700 -0.142 0.000 1.080 13 E HN 0.302 nan 8.360 nan 0.000 0.397 14 F N 2.647 122.619 119.950 0.037 0.000 2.746 14 F HA 0.328 4.855 4.527 -0.000 0.000 0.320 14 F C 0.981 176.814 175.800 0.054 0.000 1.097 14 F CA -0.669 57.352 58.000 0.034 0.000 1.195 14 F CB 0.558 39.561 39.000 0.005 0.000 1.056 14 F HN 0.136 nan 8.300 nan 0.000 0.562 15 R N 0.557 121.172 120.500 0.192 0.000 2.738 15 R HA 0.465 4.805 4.340 -0.000 0.000 0.275 15 R C -0.620 175.768 176.300 0.148 0.000 1.121 15 R CA -0.288 55.909 56.100 0.162 0.000 1.207 15 R CB 1.224 31.611 30.300 0.145 0.000 1.141 15 R HN -0.027 nan 8.270 nan 0.000 0.571 16 V N -0.499 119.492 119.914 0.128 0.000 3.049 16 V HA 0.505 4.624 4.120 -0.000 0.000 0.309 16 V C -0.442 175.697 176.094 0.076 0.000 1.148 16 V CA -0.375 61.995 62.300 0.116 0.000 0.990 16 V CB 2.124 34.053 31.823 0.176 0.000 1.039 16 V HN 0.862 nan 8.190 nan 0.000 0.430 17 A N 5.588 128.434 122.820 0.043 0.000 2.337 17 A HA 0.575 4.895 4.320 -0.000 0.000 0.227 17 A C 0.298 177.874 177.584 -0.014 0.000 1.259 17 A CA 0.353 52.401 52.037 0.018 0.000 0.870 17 A CB -0.454 18.556 19.000 0.018 0.000 0.927 17 A HN 0.810 nan 8.150 nan 0.000 0.497 18 I N -1.013 119.560 120.570 0.005 0.000 3.004 18 I HA 0.381 4.551 4.170 -0.000 0.000 0.305 18 I C -0.419 175.757 176.117 0.098 0.000 1.312 18 I CA -0.495 60.809 61.300 0.007 0.000 0.992 18 I CB 2.462 40.440 38.000 -0.036 0.000 1.282 18 I HN 0.192 nan 8.210 nan 0.000 0.449 19 T N 1.144 115.716 114.554 0.029 0.000 2.927 19 T HA 0.544 4.894 4.350 -0.000 0.000 0.286 19 T C -2.407 172.404 174.700 0.186 0.000 1.040 19 T CA -1.761 60.337 62.100 -0.002 0.000 1.010 19 T CB 1.766 70.329 68.868 -0.509 0.000 1.177 19 T HN 0.275 nan 8.240 nan 0.000 0.546 20 P HA -0.082 nan 4.420 nan 0.000 0.216 20 P C 1.707 179.068 177.300 0.103 0.000 1.150 20 P CA 1.771 64.959 63.100 0.147 0.000 0.843 20 P CB -0.348 31.370 31.700 0.030 0.000 0.787 21 A N -0.060 122.802 122.820 0.071 0.000 1.884 21 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 21 A C 2.528 180.144 177.584 0.052 0.000 1.197 21 A CA 2.456 54.531 52.037 0.062 0.000 0.637 21 A CB -1.963 17.078 19.000 0.069 0.000 0.827 21 A HN 0.303 nan 8.150 nan 0.000 0.450 22 G N -0.756 108.069 108.800 0.042 0.000 2.408 22 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.217 22 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.217 22 G C 1.657 176.585 174.900 0.046 0.000 1.150 22 G CA 1.796 46.917 45.100 0.035 0.000 0.776 22 G HN 1.128 nan 8.290 nan 0.000 0.542 23 V N -0.056 119.901 119.914 0.070 0.000 2.358 23 V HA 0.087 4.207 4.120 -0.000 0.000 0.246 23 V C 2.884 179.015 176.094 0.061 0.000 1.047 23 V CA 2.117 64.454 62.300 0.061 0.000 1.035 23 V CB -0.847 31.022 31.823 0.077 0.000 0.658 23 V HN 0.392 nan 8.190 nan 0.000 0.452 24 A N 0.185 123.045 122.820 0.067 0.000 1.908 24 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 24 A C 2.174 179.785 177.584 0.044 0.000 1.181 24 A CA 2.206 54.275 52.037 0.053 0.000 0.627 24 A CB -0.789 18.241 19.000 0.050 0.000 0.818 24 A HN 0.678 nan 8.150 nan 0.000 0.445 25 E N 0.152 120.380 120.200 0.046 0.000 2.072 25 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 25 E C 1.859 178.497 176.600 0.064 0.000 0.985 25 E CA 1.110 57.537 56.400 0.044 0.000 0.801 25 E CB -0.426 29.297 29.700 0.039 0.000 0.750 25 E HN 0.592 nan 8.360 nan 0.000 0.452 26 L N -0.137 121.132 121.223 0.076 0.000 2.046 26 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 26 L C 2.418 179.364 176.870 0.126 0.000 1.077 26 L CA 1.741 56.663 54.840 0.137 0.000 0.747 26 L CB -0.624 41.487 42.059 0.087 0.000 0.896 26 L HN 0.201 nan 8.230 nan 0.000 0.432 27 T N -1.161 113.432 114.554 0.065 0.000 2.737 27 T HA -0.211 4.139 4.350 -0.000 0.000 0.265 27 T C 1.989 176.690 174.700 0.002 0.000 1.038 27 T CA 1.040 63.159 62.100 0.031 0.000 1.144 27 T CB -0.224 68.661 68.868 0.028 0.000 0.866 27 T HN 0.225 nan 8.240 nan 0.000 0.434 28 R N 0.946 121.453 120.500 0.010 0.000 2.153 28 R HA -0.128 4.212 4.340 -0.000 0.000 0.252 28 R C 2.006 178.287 176.300 -0.031 0.000 1.158 28 R CA 1.496 57.593 56.100 -0.004 0.000 0.975 28 R CB -0.068 30.237 30.300 0.008 0.000 0.871 28 R HN 0.321 nan 8.270 nan 0.000 0.450 29 R N -1.358 119.119 120.500 -0.037 0.000 2.317 29 R HA 0.090 4.430 4.340 -0.000 0.000 0.208 29 R C 0.937 177.053 176.300 -0.307 0.000 0.914 29 R CA 0.518 56.551 56.100 -0.111 0.000 1.060 29 R CB 0.662 30.954 30.300 -0.013 0.000 1.015 29 R HN 0.507 nan 8.270 nan 0.000 0.498 30 G N 1.027 109.690 108.800 -0.229 0.000 2.157 30 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.248 30 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.248 30 G C -0.048 174.672 174.900 -0.299 0.000 0.979 30 G CA -0.174 44.778 45.100 -0.246 0.000 0.650 30 G HN 0.393 nan 8.290 nan 0.000 0.529 31 H N 0.857 119.911 119.070 -0.027 0.000 2.551 31 H HA 0.428 4.984 4.556 -0.000 0.000 0.358 31 H C 0.354 175.669 175.328 -0.022 0.000 1.151 31 H CA 0.127 56.158 56.048 -0.027 0.000 1.374 31 H CB 0.772 30.515 29.762 -0.031 0.000 1.473 31 H HN 0.488 nan 8.280 nan 0.000 0.574 32 E N 1.203 121.463 120.200 0.100 0.000 2.197 32 E HA 0.351 4.701 4.350 -0.000 0.000 0.281 32 E C -0.703 175.913 176.600 0.026 0.000 0.995 32 E CA -0.701 55.725 56.400 0.042 0.000 0.808 32 E CB 1.837 31.551 29.700 0.024 0.000 1.093 32 E HN 0.174 nan 8.360 nan 0.000 0.394 33 V N 4.398 124.311 119.914 -0.001 0.000 2.448 33 V HA 0.311 4.430 4.120 -0.000 0.000 0.295 33 V C -0.623 175.431 176.094 -0.067 0.000 1.025 33 V CA -0.798 61.478 62.300 -0.041 0.000 0.859 33 V CB 1.004 32.798 31.823 -0.049 0.000 0.988 33 V HN 0.483 nan 8.190 nan 0.000 0.431 34 L N 6.369 127.539 121.223 -0.089 0.000 2.333 34 L HA 0.644 4.984 4.340 -0.000 0.000 0.280 34 L C -0.438 176.342 176.870 -0.150 0.000 1.004 34 L CA 0.115 54.899 54.840 -0.093 0.000 0.820 34 L CB 1.619 43.639 42.059 -0.065 0.000 1.247 34 L HN 0.475 nan 8.230 nan 0.000 0.416 35 I N 2.216 122.689 120.570 -0.162 0.000 2.533 35 I HA 0.301 4.471 4.170 -0.000 0.000 0.290 35 I C -0.246 175.803 176.117 -0.113 0.000 1.056 35 I CA -0.760 60.408 61.300 -0.220 0.000 1.057 35 I CB 2.156 39.887 38.000 -0.449 0.000 1.240 35 I HN 0.607 nan 8.210 nan 0.000 0.423 36 Q N 4.077 123.831 119.800 -0.077 0.000 2.300 36 Q HA 0.323 4.662 4.340 -0.000 0.000 0.280 36 Q C -0.024 175.988 176.000 0.020 0.000 1.033 36 Q CA -0.363 55.435 55.803 -0.008 0.000 0.903 36 Q CB 1.102 29.853 28.738 0.021 0.000 1.195 36 Q HN 0.762 nan 8.270 nan 0.000 0.386 37 A N 3.188 126.032 122.820 0.039 0.000 2.520 37 A HA 0.418 4.738 4.320 -0.000 0.000 0.245 37 A C 1.160 178.791 177.584 0.077 0.000 1.072 37 A CA 0.591 52.666 52.037 0.063 0.000 0.761 37 A CB -0.388 18.644 19.000 0.053 0.000 1.004 37 A HN 1.301 nan 8.150 nan 0.000 0.499 38 G N 0.868 109.729 108.800 0.102 0.000 2.199 38 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.254 38 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.254 38 G C 1.231 176.209 174.900 0.130 0.000 0.982 38 G CA 1.089 46.250 45.100 0.102 0.000 0.632 38 G HN 1.982 nan 8.290 nan 0.000 0.529 39 A N 0.256 123.163 122.820 0.145 0.000 1.978 39 A HA 0.308 4.628 4.320 -0.000 0.000 0.220 39 A C 2.595 180.314 177.584 0.225 0.000 1.170 39 A CA 2.338 54.466 52.037 0.152 0.000 0.636 39 A CB -0.684 18.363 19.000 0.079 0.000 0.810 39 A HN 1.632 nan 8.150 nan 0.000 0.448 40 G N -1.260 107.738 108.800 0.330 0.000 2.939 40 G HA2 0.103 4.063 3.960 -0.000 0.000 0.210 40 G HA3 0.103 4.063 3.960 -0.000 0.000 0.210 40 G C 1.168 176.134 174.900 0.109 0.000 1.160 40 G CA 0.561 45.825 45.100 0.273 0.000 0.770 40 G HN 0.627 nan 8.290 nan 0.000 0.543 41 E N 0.425 120.683 120.200 0.095 0.000 2.110 41 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 41 E C 2.654 179.248 176.600 -0.011 0.000 0.988 41 E CA 0.688 57.105 56.400 0.028 0.000 0.804 41 E CB -0.131 29.581 29.700 0.021 0.000 0.745 41 E HN 0.368 nan 8.360 nan 0.000 0.458 42 G N 0.237 109.052 108.800 0.025 0.000 2.448 42 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 42 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 42 G C 1.418 176.337 174.900 0.032 0.000 1.127 42 G CA 0.603 45.685 45.100 -0.030 0.000 0.766 42 G HN 0.124 nan 8.290 nan 0.000 0.552 43 S N 0.024 115.771 115.700 0.077 0.000 2.572 43 S HA 0.489 4.959 4.470 -0.000 0.000 0.228 43 S C 1.328 175.962 174.600 0.057 0.000 0.963 43 S CA 0.495 58.749 58.200 0.090 0.000 0.939 43 S CB 0.262 63.537 63.200 0.125 0.000 0.804 43 S HN 1.237 nan 8.310 nan 0.000 0.480 44 A N 1.022 123.846 122.820 0.006 0.000 2.872 44 A HA -0.195 4.125 4.320 -0.000 0.000 0.273 44 A C 0.138 177.700 177.584 -0.037 0.000 1.442 44 A CA 0.612 52.637 52.037 -0.019 0.000 0.801 44 A CB -2.347 16.641 19.000 -0.019 0.000 1.031 44 A HN 0.540 nan 8.150 nan 0.000 0.582 45 I N 1.604 122.131 120.570 -0.072 0.000 2.330 45 I HA 0.376 4.545 4.170 -0.000 0.000 0.289 45 I C 1.027 177.020 176.117 -0.207 0.000 1.001 45 I CA 0.074 61.242 61.300 -0.221 0.000 1.193 45 I CB 1.755 39.473 38.000 -0.469 0.000 1.345 45 I HN 0.483 nan 8.210 nan 0.000 0.461 46 T N -0.016 114.438 114.554 -0.168 0.000 2.849 46 T HA 0.159 4.509 4.350 -0.000 0.000 0.284 46 T C 0.767 175.448 174.700 -0.033 0.000 1.004 46 T CA -0.635 61.423 62.100 -0.071 0.000 1.021 46 T CB 1.320 70.163 68.868 -0.042 0.000 1.013 46 T HN 0.442 nan 8.240 nan 0.000 0.527 47 D N 1.007 121.452 120.400 0.076 0.000 2.182 47 D HA -0.053 4.587 4.640 -0.000 0.000 0.201 47 D C 2.247 178.619 176.300 0.121 0.000 0.986 47 D CA 1.640 55.735 54.000 0.158 0.000 0.847 47 D CB -0.662 40.206 40.800 0.114 0.000 0.942 47 D HN 0.752 nan 8.370 nan 0.000 0.467 48 A N 0.814 123.667 122.820 0.054 0.000 1.929 48 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 48 A C 1.785 179.387 177.584 0.030 0.000 1.176 48 A CA 1.321 53.383 52.037 0.041 0.000 0.628 48 A CB -0.218 18.794 19.000 0.020 0.000 0.816 48 A HN 0.006 nan 8.150 nan 0.000 0.444 49 D N -0.465 119.921 120.400 -0.024 0.000 2.104 49 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 49 D C 1.661 177.959 176.300 -0.004 0.000 0.994 49 D CA 1.212 55.170 54.000 -0.070 0.000 0.830 49 D CB -0.494 40.183 40.800 -0.206 0.000 0.959 49 D HN 0.580 nan 8.370 nan 0.000 0.452 50 F N 0.883 120.842 119.950 0.016 0.000 2.171 50 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 50 F C 2.525 178.330 175.800 0.010 0.000 1.090 50 F CA 0.698 58.704 58.000 0.010 0.000 1.293 50 F CB 0.116 39.120 39.000 0.006 0.000 1.013 50 F HN -0.120 nan 8.300 nan 0.000 0.486 51 K N 0.606 121.132 120.400 0.209 0.000 2.057 51 K HA -0.119 4.200 4.320 -0.000 0.000 0.206 51 K C 2.155 178.807 176.600 0.085 0.000 1.050 51 K CA 1.043 57.401 56.287 0.119 0.000 0.935 51 K CB -0.219 32.334 32.500 0.088 0.000 0.715 51 K HN 0.178 nan 8.250 nan 0.000 0.439 52 A N 0.737 123.601 122.820 0.074 0.000 2.070 52 A HA -0.054 4.265 4.320 -0.000 0.000 0.220 52 A C 2.117 179.735 177.584 0.057 0.000 1.159 52 A CA 1.650 53.717 52.037 0.051 0.000 0.656 52 A CB -0.483 18.539 19.000 0.035 0.000 0.800 52 A HN 0.449 nan 8.150 nan 0.000 0.453 53 A N -2.171 120.699 122.820 0.083 0.000 2.123 53 A HA 0.411 4.731 4.320 -0.000 0.000 0.214 53 A C 1.732 179.359 177.584 0.072 0.000 1.152 53 A CA 1.456 53.543 52.037 0.085 0.000 0.728 53 A CB -0.424 18.652 19.000 0.127 0.000 0.814 53 A HN 1.693 nan 8.150 nan 0.000 0.464 54 G N -2.664 106.177 108.800 0.070 0.000 2.227 54 G HA2 0.246 4.206 3.960 -0.000 0.000 0.168 54 G HA3 0.246 4.206 3.960 -0.000 0.000 0.168 54 G C 0.354 175.276 174.900 0.038 0.000 1.006 54 G CA 0.037 45.165 45.100 0.047 0.000 0.684 54 G HN 1.318 nan 8.290 nan 0.000 0.489 55 A N 0.116 122.965 122.820 0.048 0.000 2.386 55 A HA 0.673 4.993 4.320 -0.000 0.000 0.248 55 A C 0.454 178.042 177.584 0.007 0.000 1.082 55 A CA 0.393 52.431 52.037 0.003 0.000 0.789 55 A CB 0.537 19.509 19.000 -0.048 0.000 1.025 55 A HN 0.484 nan 8.150 nan 0.000 0.490 56 Q N 1.258 121.049 119.800 -0.015 0.000 2.303 56 Q HA 0.409 4.749 4.340 -0.000 0.000 0.257 56 Q C -1.374 174.615 176.000 -0.018 0.000 0.941 56 Q CA -0.603 55.196 55.803 -0.006 0.000 0.931 56 Q CB 0.686 29.421 28.738 -0.006 0.000 1.215 56 Q HN 0.607 nan 8.270 nan 0.000 0.437 57 L N 5.518 126.743 121.223 0.003 0.000 2.260 57 L HA 0.334 4.674 4.340 -0.000 0.000 0.289 57 L C 0.004 176.879 176.870 0.010 0.000 1.057 57 L CA -0.202 54.641 54.840 0.006 0.000 0.811 57 L CB 0.781 42.864 42.059 0.039 0.000 1.184 57 L HN 0.502 nan 8.230 nan 0.000 0.429 58 V N 0.997 120.913 119.914 0.003 0.000 2.732 58 V HA 0.779 4.898 4.120 -0.000 0.000 0.310 58 V C 1.004 177.112 176.094 0.024 0.000 1.053 58 V CA -0.179 62.128 62.300 0.013 0.000 0.957 58 V CB 1.577 33.406 31.823 0.010 0.000 1.018 58 V HN 0.767 nan 8.190 nan 0.000 0.452 59 G N 2.723 111.541 108.800 0.029 0.000 2.421 59 G HA2 0.137 4.097 3.960 -0.000 0.000 0.217 59 G HA3 0.137 4.097 3.960 -0.000 0.000 0.217 59 G C 0.683 175.609 174.900 0.043 0.000 1.143 59 G CA 1.008 46.128 45.100 0.035 0.000 0.784 59 G HN 1.244 nan 8.290 nan 0.000 0.541 60 T N -3.616 110.968 114.554 0.049 0.000 2.885 60 T HA 0.679 5.029 4.350 -0.000 0.000 0.285 60 T C 1.234 175.990 174.700 0.093 0.000 1.019 60 T CA 0.141 62.279 62.100 0.064 0.000 1.010 60 T CB 2.098 71.001 68.868 0.059 0.000 1.022 60 T HN 0.161 nan 8.240 nan 0.000 0.466 61 A N 1.518 124.413 122.820 0.125 0.000 1.933 61 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 61 A C 1.931 179.703 177.584 0.313 0.000 1.175 61 A CA 1.595 53.768 52.037 0.226 0.000 0.628 61 A CB -0.981 18.167 19.000 0.246 0.000 0.814 61 A HN 0.898 nan 8.150 nan 0.000 0.444 62 D N -0.813 119.697 120.400 0.183 0.000 2.123 62 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 62 D C 2.041 178.445 176.300 0.173 0.000 0.992 62 D CA 1.735 55.826 54.000 0.151 0.000 0.833 62 D CB -0.332 40.509 40.800 0.068 0.000 0.954 62 D HN 0.747 nan 8.370 nan 0.000 0.455 63 Q N 0.388 120.264 119.800 0.127 0.000 2.123 63 Q HA -0.097 4.243 4.340 -0.000 0.000 0.199 63 Q C 2.102 178.158 176.000 0.093 0.000 0.966 63 Q CA 0.849 56.709 55.803 0.095 0.000 0.845 63 Q CB 0.179 28.954 28.738 0.061 0.000 0.907 63 Q HN 0.063 nan 8.270 nan 0.000 0.439 64 V N -0.045 119.923 119.914 0.090 0.000 2.255 64 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 64 V C 1.742 177.840 176.094 0.006 0.000 1.051 64 V CA 2.106 64.410 62.300 0.005 0.000 1.018 64 V CB -0.772 31.013 31.823 -0.062 0.000 0.641 64 V HN 0.517 nan 8.190 nan 0.000 0.445 65 W N -0.024 121.279 121.300 0.005 0.000 2.358 65 W HA -0.083 4.577 4.660 -0.000 0.000 0.303 65 W C 2.647 179.173 176.519 0.012 0.000 1.208 65 W CA 1.634 58.984 57.345 0.009 0.000 1.274 65 W CB -0.650 28.818 29.460 0.013 0.000 1.138 65 W HN 0.188 nan 8.180 nan 0.000 0.515 66 A N -0.043 122.926 122.820 0.249 0.000 1.902 66 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 66 A C 1.480 179.125 177.584 0.102 0.000 1.181 66 A CA 2.215 54.343 52.037 0.151 0.000 0.623 66 A CB -0.647 18.419 19.000 0.110 0.000 0.818 66 A HN 0.164 nan 8.150 nan 0.000 0.443 67 D N -0.786 119.659 120.400 0.075 0.000 2.367 67 D HA 0.324 4.963 4.640 -0.000 0.000 0.207 67 D C 0.671 176.985 176.300 0.022 0.000 1.034 67 D CA 0.741 54.767 54.000 0.043 0.000 0.861 67 D CB 0.002 40.821 40.800 0.031 0.000 0.943 67 D HN 0.389 nan 8.370 nan 0.000 0.515 68 A N 0.967 123.789 122.820 0.004 0.000 2.409 68 A HA 0.154 4.474 4.320 -0.000 0.000 0.262 68 A C 0.821 178.400 177.584 -0.007 0.000 1.113 68 A CA -0.260 51.759 52.037 -0.030 0.000 0.790 68 A CB 0.570 19.509 19.000 -0.102 0.000 1.046 68 A HN -0.121 nan 8.150 nan 0.000 0.496 69 D N 1.048 121.445 120.400 -0.006 0.000 2.213 69 D HA 0.031 4.671 4.640 -0.000 0.000 0.205 69 D C 0.249 176.545 176.300 -0.007 0.000 0.961 69 D CA 1.010 55.015 54.000 0.008 0.000 0.853 69 D CB 0.244 41.054 40.800 0.017 0.000 0.967 69 D HN 0.416 nan 8.370 nan 0.000 0.496 70 L N 1.282 122.483 121.223 -0.036 0.000 2.381 70 L HA 0.407 4.747 4.340 -0.000 0.000 0.274 70 L C -1.528 175.292 176.870 -0.082 0.000 0.988 70 L CA -0.689 54.125 54.840 -0.044 0.000 0.824 70 L CB 2.297 44.327 42.059 -0.049 0.000 1.263 70 L HN -0.156 nan 8.230 nan 0.000 0.410 71 L N 5.925 127.087 121.223 -0.102 0.000 2.318 71 L HA 0.483 4.823 4.340 -0.000 0.000 0.277 71 L C -1.006 175.766 176.870 -0.162 0.000 1.008 71 L CA -0.217 54.489 54.840 -0.223 0.000 0.846 71 L CB 1.229 43.057 42.059 -0.385 0.000 1.220 71 L HN 0.522 nan 8.230 nan 0.000 0.423 72 L N 5.450 126.591 121.223 -0.137 0.000 2.276 72 L HA 0.519 4.859 4.340 -0.000 0.000 0.286 72 L C -0.067 176.727 176.870 -0.127 0.000 1.061 72 L CA -0.388 54.413 54.840 -0.065 0.000 0.807 72 L CB 1.049 43.102 42.059 -0.009 0.000 1.177 72 L HN 0.620 nan 8.230 nan 0.000 0.429 73 K N 1.464 121.789 120.400 -0.125 0.000 2.439 73 K HA 0.475 4.795 4.320 -0.000 0.000 0.260 73 K C 0.176 176.759 176.600 -0.029 0.000 1.032 73 K CA -0.839 55.399 56.287 -0.081 0.000 0.882 73 K CB 2.600 35.056 32.500 -0.073 0.000 1.420 73 K HN 0.185 nan 8.250 nan 0.000 0.455 74 V N 0.318 120.272 119.914 0.067 0.000 2.521 74 V HA 0.078 4.198 4.120 -0.000 0.000 0.239 74 V C 0.300 176.538 176.094 0.241 0.000 1.053 74 V CA 0.960 63.379 62.300 0.198 0.000 1.073 74 V CB 0.006 31.954 31.823 0.207 0.000 0.746 74 V HN 0.500 nan 8.190 nan 0.000 0.476 75 K N 1.330 121.829 120.400 0.165 0.000 2.185 75 K HA 0.350 4.670 4.320 -0.000 0.000 0.240 75 K C -0.081 176.599 176.600 0.132 0.000 0.983 75 K CA -0.640 55.754 56.287 0.178 0.000 0.873 75 K CB 1.049 33.629 32.500 0.134 0.000 1.118 75 K HN 0.366 nan 8.250 nan 0.000 0.441 76 E N 2.016 122.306 120.200 0.150 0.000 2.437 76 E HA 0.080 4.429 4.350 -0.000 0.000 0.263 76 E C -2.296 174.398 176.600 0.157 0.000 1.030 76 E CA -1.365 55.116 56.400 0.136 0.000 0.934 76 E CB -0.379 29.409 29.700 0.147 0.000 0.943 76 E HN 0.123 nan 8.360 nan 0.000 0.444 77 P HA 0.101 nan 4.420 nan 0.000 0.268 77 P C -0.186 177.232 177.300 0.197 0.000 1.205 77 P CA 0.162 63.400 63.100 0.229 0.000 0.771 77 P CB 0.322 32.189 31.700 0.279 0.000 0.858 78 I N -1.014 119.572 120.570 0.027 0.000 3.205 78 I HA 0.677 4.847 4.170 -0.000 0.000 0.310 78 I C 1.339 177.057 176.117 -0.666 0.000 1.089 78 I CA -1.164 60.038 61.300 -0.164 0.000 1.023 78 I CB 0.969 38.903 38.000 -0.111 0.000 1.269 78 I HN 0.224 nan 8.210 nan 0.000 0.512 79 A N 1.949 124.247 122.820 -0.871 0.000 1.884 79 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 79 A C 2.274 179.427 177.584 -0.719 0.000 1.197 79 A CA 2.719 54.029 52.037 -1.211 0.000 0.637 79 A CB -1.464 17.205 19.000 -0.551 0.000 0.827 79 A HN 1.071 nan 8.150 nan 0.000 0.450 80 A N -0.800 121.786 122.820 -0.389 0.000 2.131 80 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 80 A C 1.761 179.202 177.584 -0.238 0.000 1.158 80 A CA 1.679 53.574 52.037 -0.237 0.000 0.665 80 A CB -0.438 18.469 19.000 -0.155 0.000 0.795 80 A HN 0.713 nan 8.150 nan 0.000 0.460 81 E N -1.951 118.075 120.200 -0.291 0.000 2.460 81 E HA 0.023 4.373 4.350 -0.000 0.000 0.200 81 E C 1.021 177.459 176.600 -0.271 0.000 1.011 81 E CA -0.161 56.042 56.400 -0.328 0.000 0.912 81 E CB -0.020 29.539 29.700 -0.236 0.000 0.953 81 E HN 0.674 nan 8.360 nan 0.000 0.494 82 Y N 0.983 121.144 120.300 -0.231 0.000 2.165 82 Y HA -0.110 4.440 4.550 -0.000 0.000 0.286 82 Y C 2.596 178.374 175.900 -0.205 0.000 1.155 82 Y CA 1.274 59.262 58.100 -0.186 0.000 1.164 82 Y CB -1.209 37.185 38.460 -0.109 0.000 0.978 82 Y HN 0.096 nan 8.280 nan 0.000 0.513 83 G N -0.121 108.658 108.800 -0.034 0.000 2.501 83 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 83 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 83 G C 1.759 176.560 174.900 -0.164 0.000 1.114 83 G CA 0.444 45.493 45.100 -0.085 0.000 0.757 83 G HN 0.335 nan 8.290 nan 0.000 0.559 84 R N -0.557 119.737 120.500 -0.344 0.000 2.210 84 R HA 0.200 4.540 4.340 -0.000 0.000 0.203 84 R C 0.538 176.668 176.300 -0.283 0.000 1.010 84 R CA -0.245 55.568 56.100 -0.478 0.000 1.008 84 R CB -0.204 29.347 30.300 -1.248 0.000 0.923 84 R HN 0.295 nan 8.270 nan 0.000 0.469 85 L N 2.837 123.916 121.223 -0.239 0.000 2.485 85 L HA 0.047 4.387 4.340 -0.000 0.000 0.275 85 L C 0.516 177.416 176.870 0.050 0.000 1.207 85 L CA 0.380 55.216 54.840 -0.008 0.000 0.855 85 L CB 0.158 42.207 42.059 -0.017 0.000 1.114 85 L HN 0.162 nan 8.230 nan 0.000 0.485 86 R N 1.617 122.185 120.500 0.114 0.000 2.668 86 R HA 0.360 4.700 4.340 -0.000 0.000 0.272 86 R C -0.701 175.660 176.300 0.101 0.000 1.019 86 R CA -0.979 55.184 56.100 0.105 0.000 0.894 86 R CB 0.994 31.368 30.300 0.123 0.000 1.228 86 R HN 0.551 nan 8.270 nan 0.000 0.460 87 H N 1.494 120.568 119.070 0.006 0.000 2.972 87 H HA 0.078 4.634 4.556 -0.000 0.000 0.343 87 H C 0.905 176.249 175.328 0.026 0.000 1.054 87 H CA 2.790 58.831 56.048 -0.010 0.000 1.412 87 H CB 0.790 30.537 29.762 -0.025 0.000 1.385 87 H HN 0.992 nan 8.280 nan 0.000 0.600 88 G N 3.519 111.998 108.800 -0.535 0.000 2.143 88 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 88 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 88 G C 0.150 175.023 174.900 -0.046 0.000 0.991 88 G CA 0.607 45.556 45.100 -0.251 0.000 0.689 88 G HN 0.826 nan 8.290 nan 0.000 0.522 89 Q N -0.506 119.269 119.800 -0.042 0.000 2.365 89 Q HA 0.691 5.031 4.340 -0.000 0.000 0.269 89 Q C -0.304 175.677 176.000 -0.032 0.000 1.061 89 Q CA -1.164 54.641 55.803 0.003 0.000 0.816 89 Q CB 1.230 29.999 28.738 0.052 0.000 1.325 89 Q HN 0.343 nan 8.270 nan 0.000 0.446 90 I N 4.061 124.616 120.570 -0.025 0.000 2.304 90 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 90 I C -0.546 175.546 176.117 -0.042 0.000 1.018 90 I CA -0.713 60.548 61.300 -0.064 0.000 1.260 90 I CB 0.989 38.970 38.000 -0.031 0.000 1.390 90 I HN 0.466 nan 8.210 nan 0.000 0.475 91 L N 8.015 129.215 121.223 -0.038 0.000 2.276 91 L HA 0.496 4.836 4.340 -0.000 0.000 0.286 91 L C -1.276 175.615 176.870 0.035 0.000 1.061 91 L CA 0.110 54.943 54.840 -0.012 0.000 0.807 91 L CB 0.803 42.877 42.059 0.025 0.000 1.177 91 L HN 0.375 nan 8.230 nan 0.000 0.429 92 F N 5.058 124.891 119.950 -0.196 0.000 2.496 92 F HA 0.719 5.246 4.527 -0.000 0.000 0.341 92 F C -0.329 175.117 175.800 -0.590 0.000 1.134 92 F CA -0.247 57.594 58.000 -0.266 0.000 0.968 92 F CB 1.273 40.229 39.000 -0.074 0.000 1.205 92 F HN 0.638 nan 8.300 nan 0.000 0.436 93 T N 4.655 118.587 114.554 -1.038 0.000 2.700 93 T HA 0.409 4.759 4.350 -0.000 0.000 0.307 93 T C -1.378 172.601 174.700 -1.201 0.000 1.580 93 T CA -0.527 60.706 62.100 -1.445 0.000 0.992 93 T CB 0.437 69.009 68.868 -0.494 0.000 1.577 93 T HN 0.157 nan 8.240 nan 0.000 0.496 94 F N 2.415 122.010 119.950 -0.593 0.000 2.495 94 F HA 0.350 4.877 4.527 -0.000 0.000 0.365 94 F C 1.294 176.966 175.800 -0.213 0.000 1.090 94 F CA 0.020 57.865 58.000 -0.258 0.000 1.235 94 F CB 0.588 39.603 39.000 0.025 0.000 1.119 94 F HN 0.356 nan 8.300 nan 0.000 0.562 95 L N 1.735 122.896 121.223 -0.103 0.000 2.586 95 L HA 0.102 4.442 4.340 -0.000 0.000 0.204 95 L C 0.244 177.142 176.870 0.047 0.000 1.053 95 L CA -0.114 54.708 54.840 -0.030 0.000 0.856 95 L CB -0.080 41.945 42.059 -0.056 0.000 1.192 95 L HN 0.575 nan 8.230 nan 0.000 0.484 96 H N 1.139 120.251 119.070 0.070 0.000 2.672 96 H HA -0.142 4.414 4.556 -0.000 0.000 0.325 96 H C 1.190 176.533 175.328 0.025 0.000 1.158 96 H CA 0.451 56.523 56.048 0.042 0.000 1.134 96 H CB -1.617 28.161 29.762 0.026 0.000 1.553 96 H HN 0.306 nan 8.280 nan 0.000 0.419 97 L N -0.446 120.819 121.223 0.070 0.000 2.083 97 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 97 L C 2.675 179.570 176.870 0.041 0.000 1.083 97 L CA 1.494 56.360 54.840 0.044 0.000 0.752 97 L CB -0.327 41.739 42.059 0.012 0.000 0.899 97 L HN 0.520 nan 8.230 nan 0.000 0.433 98 A N -0.079 122.766 122.820 0.042 0.000 2.178 98 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 98 A C 2.219 179.822 177.584 0.031 0.000 1.157 98 A CA 1.461 53.515 52.037 0.027 0.000 0.689 98 A CB -0.404 18.609 19.000 0.022 0.000 0.787 98 A HN 0.408 nan 8.150 nan 0.000 0.465 99 A N -1.785 121.066 122.820 0.051 0.000 2.308 99 A HA 0.489 4.809 4.320 -0.000 0.000 0.217 99 A C 0.873 178.477 177.584 0.033 0.000 1.216 99 A CA 0.739 52.796 52.037 0.034 0.000 0.864 99 A CB -0.003 19.014 19.000 0.029 0.000 0.902 99 A HN 0.445 nan 8.150 nan 0.000 0.499 100 S N -0.827 114.897 115.700 0.040 0.000 2.609 100 S HA 0.311 4.781 4.470 -0.000 0.000 0.250 100 S C 0.531 175.146 174.600 0.025 0.000 1.112 100 S CA -0.598 57.626 58.200 0.040 0.000 1.102 100 S CB 0.582 63.820 63.200 0.064 0.000 1.124 100 S HN 0.486 nan 8.310 nan 0.000 0.460 101 R N 3.165 123.674 120.500 0.015 0.000 2.120 101 R HA -0.030 4.309 4.340 -0.000 0.000 0.234 101 R C 2.041 178.332 176.300 -0.014 0.000 1.123 101 R CA 1.836 57.935 56.100 -0.001 0.000 0.975 101 R CB -0.343 29.957 30.300 -0.001 0.000 0.866 101 R HN 0.678 nan 8.270 nan 0.000 0.446 102 A N 0.378 123.205 122.820 0.012 0.000 1.883 102 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 102 A C 2.471 180.005 177.584 -0.085 0.000 1.186 102 A CA 1.634 53.681 52.037 0.017 0.000 0.624 102 A CB -1.279 17.797 19.000 0.126 0.000 0.822 102 A HN 0.623 nan 8.150 nan 0.000 0.444 103 C N -1.009 118.289 119.300 -0.004 0.000 2.446 103 C HA -0.070 4.390 4.460 -0.000 0.000 0.277 103 C C 3.001 177.908 174.990 -0.139 0.000 1.275 103 C CA 1.938 60.916 59.018 -0.067 0.000 1.727 103 C CB -1.524 26.263 27.740 0.079 0.000 2.010 103 C HN 0.630 nan 8.230 nan 0.000 0.486 104 T N 0.724 115.234 114.554 -0.073 0.000 2.652 104 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 104 T C 1.295 175.931 174.700 -0.106 0.000 1.039 104 T CA 2.073 64.132 62.100 -0.067 0.000 1.153 104 T CB -0.499 68.350 68.868 -0.031 0.000 0.863 104 T HN 0.552 nan 8.240 nan 0.000 0.428 105 D N 1.362 121.691 120.400 -0.119 0.000 2.123 105 D HA -0.050 4.590 4.640 -0.000 0.000 0.196 105 D C 2.355 178.534 176.300 -0.202 0.000 0.992 105 D CA 1.300 55.222 54.000 -0.129 0.000 0.833 105 D CB -0.601 40.136 40.800 -0.105 0.000 0.954 105 D HN 0.409 nan 8.370 nan 0.000 0.455 106 A N 0.609 123.209 122.820 -0.366 0.000 1.883 106 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 106 A C 2.402 179.813 177.584 -0.289 0.000 1.186 106 A CA 1.168 52.895 52.037 -0.517 0.000 0.624 106 A CB -0.850 17.406 19.000 -1.239 0.000 0.822 106 A HN 0.235 nan 8.150 nan 0.000 0.444 107 L N -0.751 120.343 121.223 -0.214 0.000 2.093 107 L HA -0.144 4.195 4.340 -0.000 0.000 0.208 107 L C 2.571 179.386 176.870 -0.092 0.000 1.085 107 L CA 0.849 55.621 54.840 -0.115 0.000 0.755 107 L CB -0.543 41.468 42.059 -0.079 0.000 0.904 107 L HN 0.366 nan 8.230 nan 0.000 0.435 108 L N -0.444 120.723 121.223 -0.093 0.000 2.017 108 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 108 L C 2.194 179.022 176.870 -0.070 0.000 1.073 108 L CA 1.163 55.961 54.840 -0.071 0.000 0.745 108 L CB -0.646 41.378 42.059 -0.057 0.000 0.894 108 L HN 0.251 nan 8.230 nan 0.000 0.432 109 D N -0.409 119.941 120.400 -0.085 0.000 2.218 109 D HA -0.139 4.500 4.640 -0.000 0.000 0.204 109 D C 2.361 178.625 176.300 -0.059 0.000 0.976 109 D CA 1.550 55.507 54.000 -0.072 0.000 0.853 109 D CB -0.043 40.706 40.800 -0.085 0.000 0.939 109 D HN 0.345 nan 8.370 nan 0.000 0.481 110 S N -1.014 114.647 115.700 -0.064 0.000 2.461 110 S HA 0.141 4.611 4.470 -0.000 0.000 0.228 110 S C 1.900 176.498 174.600 -0.003 0.000 1.005 110 S CA 0.897 59.076 58.200 -0.035 0.000 0.942 110 S CB 0.112 63.291 63.200 -0.035 0.000 0.776 110 S HN 0.300 nan 8.310 nan 0.000 0.514 111 G N 0.660 109.448 108.800 -0.020 0.000 2.162 111 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 111 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 111 G C 0.237 175.111 174.900 -0.044 0.000 0.976 111 G CA 0.546 45.643 45.100 -0.004 0.000 0.655 111 G HN 0.803 nan 8.290 nan 0.000 0.533 112 T N 0.829 115.354 114.554 -0.047 0.000 2.856 112 T HA 0.485 4.835 4.350 -0.000 0.000 0.306 112 T C 0.824 175.442 174.700 -0.138 0.000 1.062 112 T CA 1.093 63.151 62.100 -0.070 0.000 1.083 112 T CB 0.337 69.202 68.868 -0.004 0.000 0.984 112 T HN 0.296 nan 8.240 nan 0.000 0.542 113 T N 3.592 118.041 114.554 -0.176 0.000 2.767 113 T HA 0.536 4.886 4.350 -0.000 0.000 0.288 113 T C -0.301 174.262 174.700 -0.228 0.000 0.963 113 T CA -0.722 61.208 62.100 -0.284 0.000 1.019 113 T CB 0.731 69.255 68.868 -0.574 0.000 0.923 113 T HN 0.680 nan 8.240 nan 0.000 0.468 114 S N 2.864 118.442 115.700 -0.202 0.000 2.549 114 S HA 0.799 5.269 4.470 -0.000 0.000 0.280 114 S C -0.925 173.607 174.600 -0.112 0.000 1.109 114 S CA -0.984 57.144 58.200 -0.121 0.000 0.905 114 S CB 1.115 64.276 63.200 -0.066 0.000 1.081 114 S HN 0.596 nan 8.310 nan 0.000 0.477 115 I N 1.670 122.212 120.570 -0.047 0.000 2.498 115 I HA 0.622 4.792 4.170 -0.000 0.000 0.290 115 I C -0.070 176.098 176.117 0.085 0.000 1.032 115 I CA -1.088 60.220 61.300 0.012 0.000 1.073 115 I CB 2.056 40.024 38.000 -0.053 0.000 1.251 115 I HN 0.907 nan 8.210 nan 0.000 0.426 116 A N 5.423 128.259 122.820 0.026 0.000 2.289 116 A HA 0.424 4.744 4.320 -0.000 0.000 0.298 116 A C 0.465 178.042 177.584 -0.011 0.000 1.208 116 A CA -0.257 51.743 52.037 -0.061 0.000 0.845 116 A CB 0.100 19.062 19.000 -0.063 0.000 1.125 116 A HN 0.844 nan 8.150 nan 0.000 0.517 117 Y N 1.039 121.180 120.300 -0.264 0.000 2.151 117 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 117 Y C 2.592 178.392 175.900 -0.167 0.000 1.166 117 Y CA 1.334 59.163 58.100 -0.450 0.000 1.163 117 Y CB 0.175 37.935 38.460 -1.167 0.000 0.974 117 Y HN 0.858 nan 8.280 nan 0.000 0.511 118 E N 0.456 120.761 120.200 0.175 0.000 2.358 118 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 118 E C 1.336 177.995 176.600 0.099 0.000 1.010 118 E CA 1.601 58.139 56.400 0.229 0.000 0.856 118 E CB -0.564 29.262 29.700 0.211 0.000 0.795 118 E HN 0.498 nan 8.360 nan 0.000 0.504 119 T N -1.556 113.028 114.554 0.050 0.000 3.054 119 T HA 0.276 4.626 4.350 -0.000 0.000 0.255 119 T C 0.688 175.402 174.700 0.024 0.000 1.035 119 T CA -0.384 61.736 62.100 0.033 0.000 0.941 119 T CB 0.073 68.952 68.868 0.017 0.000 1.026 119 T HN -0.079 nan 8.240 nan 0.000 0.533 120 V N 2.382 122.304 119.914 0.013 0.000 2.529 120 V HA 0.296 4.416 4.120 -0.000 0.000 0.292 120 V C -0.017 176.071 176.094 -0.012 0.000 1.028 120 V CA 0.165 62.444 62.300 -0.035 0.000 1.074 120 V CB 0.613 32.346 31.823 -0.150 0.000 0.958 120 V HN 0.649 nan 8.190 nan 0.000 0.481 121 Q N 3.572 123.379 119.800 0.011 0.000 2.280 121 Q HA 0.397 4.737 4.340 -0.000 0.000 0.259 121 Q C -0.382 175.650 176.000 0.054 0.000 0.964 121 Q CA -0.591 55.234 55.803 0.036 0.000 0.844 121 Q CB 1.987 30.746 28.738 0.035 0.000 1.334 121 Q HN 0.878 nan 8.270 nan 0.000 0.423 122 T N -0.081 114.513 114.554 0.066 0.000 2.816 122 T HA 0.524 4.874 4.350 -0.000 0.000 0.282 122 T C 1.266 175.998 174.700 0.054 0.000 0.993 122 T CA 0.008 62.153 62.100 0.074 0.000 0.994 122 T CB 1.239 70.157 68.868 0.083 0.000 1.025 122 T HN 0.663 nan 8.240 nan 0.000 0.529 123 A N 1.025 123.875 122.820 0.049 0.000 2.019 123 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 123 A C 1.872 179.476 177.584 0.033 0.000 1.164 123 A CA 1.555 53.615 52.037 0.038 0.000 0.644 123 A CB -0.988 18.033 19.000 0.034 0.000 0.805 123 A HN 0.964 nan 8.150 nan 0.000 0.449 124 D N -1.997 118.423 120.400 0.034 0.000 2.363 124 D HA 0.224 4.864 4.640 -0.000 0.000 0.226 124 D C 1.214 177.532 176.300 0.030 0.000 1.020 124 D CA 1.053 55.071 54.000 0.029 0.000 0.892 124 D CB -0.602 40.214 40.800 0.027 0.000 0.900 124 D HN 0.790 nan 8.370 nan 0.000 0.531 125 G N -0.455 108.365 108.800 0.034 0.000 2.194 125 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.236 125 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.236 125 G C 0.535 175.457 174.900 0.037 0.000 0.987 125 G CA 0.188 45.308 45.100 0.033 0.000 0.635 125 G HN 0.824 nan 8.290 nan 0.000 0.520 126 A N 0.082 122.926 122.820 0.041 0.000 2.425 126 A HA 0.678 4.998 4.320 -0.000 0.000 0.242 126 A C 0.466 178.081 177.584 0.053 0.000 1.077 126 A CA 0.268 52.333 52.037 0.046 0.000 0.781 126 A CB 0.298 19.326 19.000 0.047 0.000 1.020 126 A HN 0.935 nan 8.150 nan 0.000 0.494 127 L N 3.592 124.849 121.223 0.057 0.000 2.321 127 L HA 0.298 4.638 4.340 -0.000 0.000 0.272 127 L C -1.464 175.447 176.870 0.068 0.000 1.050 127 L CA -1.468 53.409 54.840 0.062 0.000 0.893 127 L CB 1.568 43.671 42.059 0.073 0.000 1.272 127 L HN 0.607 nan 8.230 nan 0.000 0.435 128 P HA -0.089 nan 4.420 nan 0.000 0.226 128 P C 1.240 178.575 177.300 0.058 0.000 1.153 128 P CA 0.964 64.113 63.100 0.082 0.000 0.777 128 P CB 0.527 32.310 31.700 0.139 0.000 0.794 129 L N -1.777 119.458 121.223 0.019 0.000 2.416 129 L HA 0.059 4.399 4.340 -0.000 0.000 0.216 129 L C 2.239 179.188 176.870 0.132 0.000 1.098 129 L CA 0.125 54.940 54.840 -0.042 0.000 0.840 129 L CB -0.544 41.371 42.059 -0.239 0.000 0.981 129 L HN -0.056 nan 8.230 nan 0.000 0.462 130 L N 0.515 121.852 121.223 0.190 0.000 2.209 130 L HA 0.092 4.432 4.340 -0.000 0.000 0.207 130 L C 2.675 179.628 176.870 0.139 0.000 1.094 130 L CA 1.611 56.587 54.840 0.225 0.000 0.790 130 L CB -0.959 41.204 42.059 0.174 0.000 0.932 130 L HN 0.122 nan 8.230 nan 0.000 0.447 131 A N 1.304 124.188 122.820 0.107 0.000 1.884 131 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 131 A C -0.074 177.564 177.584 0.089 0.000 1.197 131 A CA 2.308 54.398 52.037 0.088 0.000 0.637 131 A CB -2.197 16.849 19.000 0.077 0.000 0.827 131 A HN 0.428 nan 8.150 nan 0.000 0.450 132 P HA -0.172 nan 4.420 nan 0.000 0.218 132 P C 1.448 178.804 177.300 0.094 0.000 1.148 132 P CA 1.315 64.469 63.100 0.089 0.000 0.822 132 P CB -0.263 31.487 31.700 0.083 0.000 0.784 133 M N -0.466 119.197 119.600 0.106 0.000 2.254 133 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 133 M C 2.148 178.481 176.300 0.056 0.000 1.066 133 M CA 1.360 56.710 55.300 0.082 0.000 1.123 133 M CB -1.807 30.829 32.600 0.061 0.000 1.388 133 M HN -0.087 nan 8.290 nan 0.000 0.425 134 S N 0.475 116.211 115.700 0.060 0.000 2.383 134 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 134 S C 1.810 176.449 174.600 0.064 0.000 1.026 134 S CA 1.023 59.254 58.200 0.052 0.000 0.981 134 S CB -0.172 63.062 63.200 0.058 0.000 0.818 134 S HN 0.506 nan 8.310 nan 0.000 0.472 135 E N 0.771 121.019 120.200 0.080 0.000 2.023 135 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 135 E C 2.169 178.808 176.600 0.065 0.000 1.003 135 E CA 1.431 57.884 56.400 0.088 0.000 0.809 135 E CB -0.357 29.402 29.700 0.098 0.000 0.755 135 E HN 0.233 nan 8.360 nan 0.000 0.449 136 V N 1.465 121.417 119.914 0.065 0.000 2.252 136 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 136 V C 2.346 178.469 176.094 0.048 0.000 1.056 136 V CA 2.086 64.420 62.300 0.058 0.000 1.022 136 V CB -0.831 31.033 31.823 0.069 0.000 0.641 136 V HN 0.367 nan 8.190 nan 0.000 0.445 137 A N 0.219 123.067 122.820 0.046 0.000 1.933 137 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 137 A C 2.404 180.002 177.584 0.023 0.000 1.175 137 A CA 1.881 53.941 52.037 0.039 0.000 0.628 137 A CB -1.167 17.850 19.000 0.028 0.000 0.814 137 A HN 0.547 nan 8.150 nan 0.000 0.444 138 G N -0.438 108.374 108.800 0.021 0.000 2.421 138 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 138 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 138 G C 1.768 176.660 174.900 -0.014 0.000 1.171 138 G CA 0.847 45.949 45.100 0.004 0.000 0.775 138 G HN 0.551 nan 8.290 nan 0.000 0.543 139 R N -0.222 120.274 120.500 -0.007 0.000 2.083 139 R HA 0.041 4.380 4.340 -0.000 0.000 0.237 139 R C 2.671 178.962 176.300 -0.015 0.000 1.137 139 R CA 1.031 57.121 56.100 -0.017 0.000 0.951 139 R CB -0.603 29.695 30.300 -0.003 0.000 0.851 139 R HN 0.317 nan 8.270 nan 0.000 0.434 140 L N 0.312 121.536 121.223 0.002 0.000 2.083 140 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 140 L C 2.692 179.542 176.870 -0.033 0.000 1.083 140 L CA 1.181 56.021 54.840 0.001 0.000 0.752 140 L CB -0.559 41.523 42.059 0.039 0.000 0.899 140 L HN 0.269 nan 8.230 nan 0.000 0.433 141 A N -0.086 122.714 122.820 -0.034 0.000 1.940 141 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 141 A C 2.506 180.041 177.584 -0.081 0.000 1.176 141 A CA 1.836 53.832 52.037 -0.068 0.000 0.631 141 A CB -0.658 18.319 19.000 -0.039 0.000 0.814 141 A HN 0.440 nan 8.150 nan 0.000 0.446 142 A N -0.743 122.041 122.820 -0.059 0.000 1.898 142 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 142 A C 2.137 179.694 177.584 -0.046 0.000 1.181 142 A CA 1.582 53.586 52.037 -0.055 0.000 0.620 142 A CB -0.513 18.454 19.000 -0.055 0.000 0.819 142 A HN 0.664 nan 8.150 nan 0.000 0.442 143 Q N -0.873 118.902 119.800 -0.042 0.000 2.083 143 Q HA -0.051 4.289 4.340 -0.000 0.000 0.198 143 Q C 2.094 178.081 176.000 -0.022 0.000 0.969 143 Q CA 1.408 57.196 55.803 -0.026 0.000 0.838 143 Q CB -0.248 28.474 28.738 -0.026 0.000 0.900 143 Q HN 0.454 nan 8.270 nan 0.000 0.436 144 V N 0.461 120.332 119.914 -0.071 0.000 2.488 144 V HA -0.100 4.020 4.120 -0.000 0.000 0.246 144 V C 2.160 178.228 176.094 -0.044 0.000 1.046 144 V CA 1.739 63.979 62.300 -0.101 0.000 1.053 144 V CB -0.663 30.960 31.823 -0.333 0.000 0.679 144 V HN 0.503 nan 8.190 nan 0.000 0.458 145 G N -0.038 108.702 108.800 -0.100 0.000 2.491 145 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 145 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 145 G C 1.789 176.698 174.900 0.015 0.000 1.180 145 G CA 1.181 46.253 45.100 -0.047 0.000 0.774 145 G HN 0.612 nan 8.290 nan 0.000 0.562 146 A N -0.324 122.501 122.820 0.009 0.000 1.940 146 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 146 A C 2.252 179.855 177.584 0.031 0.000 1.176 146 A CA 1.845 53.891 52.037 0.014 0.000 0.631 146 A CB -0.643 18.364 19.000 0.013 0.000 0.814 146 A HN 0.535 nan 8.150 nan 0.000 0.446 147 Y N -0.475 119.773 120.300 -0.086 0.000 2.220 147 Y HA -0.153 4.397 4.550 -0.000 0.000 0.291 147 Y C 2.396 178.172 175.900 -0.206 0.000 1.129 147 Y CA 1.979 59.981 58.100 -0.164 0.000 1.161 147 Y CB -0.081 38.235 38.460 -0.241 0.000 0.997 147 Y HN 0.482 nan 8.280 nan 0.000 0.522 148 H N -0.370 118.751 119.070 0.085 0.000 2.551 148 H HA 0.043 4.599 4.556 -0.000 0.000 0.266 148 H C 2.037 177.346 175.328 -0.031 0.000 0.977 148 H CA 0.687 56.754 56.048 0.031 0.000 1.163 148 H CB 0.139 29.968 29.762 0.111 0.000 1.381 148 H HN 0.394 nan 8.280 nan 0.000 0.581 149 L N 0.610 121.853 121.223 0.033 0.000 2.456 149 L HA -0.049 4.291 4.340 -0.000 0.000 0.224 149 L C 0.790 177.627 176.870 -0.054 0.000 1.148 149 L CA 0.387 55.221 54.840 -0.010 0.000 0.825 149 L CB -0.108 41.939 42.059 -0.020 0.000 0.937 149 L HN 0.171 nan 8.230 nan 0.000 0.450 150 M N -1.035 118.492 119.600 -0.123 0.000 2.233 150 M HA 0.027 4.506 4.480 -0.000 0.000 0.350 150 M C 1.306 177.541 176.300 -0.108 0.000 1.176 150 M CA -0.084 55.124 55.300 -0.153 0.000 1.150 150 M CB 1.047 33.479 32.600 -0.281 0.000 1.530 150 M HN -0.148 nan 8.290 nan 0.000 0.459 151 R N 1.497 121.949 120.500 -0.080 0.000 2.120 151 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 151 R C 1.992 178.264 176.300 -0.047 0.000 1.123 151 R CA 2.426 58.497 56.100 -0.048 0.000 0.975 151 R CB -1.001 29.276 30.300 -0.038 0.000 0.866 151 R HN 0.915 nan 8.270 nan 0.000 0.446 152 T N -1.446 113.062 114.554 -0.076 0.000 2.881 152 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 152 T C 1.255 175.922 174.700 -0.055 0.000 1.068 152 T CA 0.886 62.946 62.100 -0.067 0.000 1.131 152 T CB -0.172 68.642 68.868 -0.089 0.000 0.871 152 T HN 0.189 nan 8.240 nan 0.000 0.479 153 Q N 0.870 120.617 119.800 -0.088 0.000 2.403 153 Q HA 0.290 4.630 4.340 -0.000 0.000 0.203 153 Q C 1.787 177.836 176.000 0.082 0.000 0.932 153 Q CA 0.672 56.479 55.803 0.006 0.000 0.945 153 Q CB 0.080 28.780 28.738 -0.062 0.000 1.045 153 Q HN 0.811 nan 8.270 nan 0.000 0.511 154 G N 0.241 109.062 108.800 0.036 0.000 2.157 154 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 154 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 154 G C 0.489 175.412 174.900 0.038 0.000 0.979 154 G CA -0.018 45.108 45.100 0.043 0.000 0.650 154 G HN 0.600 nan 8.290 nan 0.000 0.529 155 G N -1.166 107.653 108.800 0.031 0.000 2.557 155 G HA2 0.514 4.474 3.960 -0.000 0.000 0.292 155 G HA3 0.514 4.474 3.960 -0.000 0.000 0.292 155 G C 0.828 175.727 174.900 -0.002 0.000 1.237 155 G CA 0.342 45.455 45.100 0.021 0.000 0.978 155 G HN 0.408 nan 8.290 nan 0.000 0.498 156 R N -0.963 119.533 120.500 -0.006 0.000 2.152 156 R HA 0.076 4.415 4.340 -0.000 0.000 0.232 156 R C 1.507 177.795 176.300 -0.020 0.000 1.117 156 R CA 1.408 57.501 56.100 -0.012 0.000 0.981 156 R CB -0.238 30.053 30.300 -0.015 0.000 0.870 156 R HN 1.138 nan 8.270 nan 0.000 0.451 157 G N -0.528 108.255 108.800 -0.028 0.000 2.181 157 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.152 157 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.152 157 G C -0.667 174.212 174.900 -0.035 0.000 1.026 157 G CA -0.173 44.905 45.100 -0.036 0.000 0.699 157 G HN 0.150 nan 8.290 nan 0.000 0.497 158 V N 0.981 120.875 119.914 -0.035 0.000 2.417 158 V HA 0.703 4.823 4.120 -0.000 0.000 0.291 158 V C 0.512 176.586 176.094 -0.034 0.000 1.024 158 V CA -1.035 61.246 62.300 -0.031 0.000 0.861 158 V CB 1.704 33.510 31.823 -0.029 0.000 0.985 158 V HN 0.495 nan 8.190 nan 0.000 0.436 159 L N 5.650 126.854 121.223 -0.031 0.000 2.380 159 L HA 0.293 4.633 4.340 -0.000 0.000 0.273 159 L C 1.292 178.147 176.870 -0.024 0.000 1.138 159 L CA 0.395 55.219 54.840 -0.028 0.000 0.832 159 L CB 0.962 43.007 42.059 -0.024 0.000 1.124 159 L HN 0.598 nan 8.230 nan 0.000 0.454 160 M N 3.343 122.930 119.600 -0.022 0.000 2.082 160 M HA -0.111 4.369 4.480 -0.000 0.000 0.258 160 M C 1.531 177.819 176.300 -0.021 0.000 1.071 160 M CA 2.100 57.387 55.300 -0.023 0.000 1.103 160 M CB -1.543 31.044 32.600 -0.021 0.000 1.307 160 M HN 0.863 nan 8.290 nan 0.000 0.409 161 G N -1.014 107.776 108.800 -0.016 0.000 3.141 161 G HA2 0.391 4.351 3.960 -0.000 0.000 0.218 161 G HA3 0.391 4.351 3.960 -0.000 0.000 0.218 161 G C 0.915 175.808 174.900 -0.011 0.000 1.170 161 G CA 0.441 45.533 45.100 -0.013 0.000 0.769 161 G HN 0.753 nan 8.290 nan 0.000 0.546 162 G N -0.503 108.289 108.800 -0.014 0.000 2.574 162 G HA2 0.020 3.979 3.960 -0.000 0.000 0.295 162 G HA3 0.020 3.979 3.960 -0.000 0.000 0.295 162 G C 0.163 175.057 174.900 -0.009 0.000 1.300 162 G CA 1.121 46.213 45.100 -0.013 0.000 0.944 162 G HN 1.552 nan 8.290 nan 0.000 0.551 163 V N -4.641 115.268 119.914 -0.008 0.000 3.188 163 V HA 0.767 4.887 4.120 -0.000 0.000 0.305 163 V C -2.735 173.356 176.094 -0.004 0.000 1.232 163 V CA -1.931 60.366 62.300 -0.006 0.000 1.043 163 V CB 1.646 33.466 31.823 -0.006 0.000 1.068 163 V HN 0.776 nan 8.190 nan 0.000 0.439 164 P HA 0.306 nan 4.420 nan 0.000 0.260 164 P C 0.993 178.291 177.300 -0.002 0.000 1.172 164 P CA 2.150 65.249 63.100 -0.001 0.000 0.760 164 P CB 0.448 32.148 31.700 -0.000 0.000 0.773 165 G N 1.275 110.074 108.800 -0.002 0.000 2.199 165 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.254 165 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.254 165 G C -0.053 174.844 174.900 -0.005 0.000 0.982 165 G CA -0.063 45.035 45.100 -0.003 0.000 0.632 165 G HN 0.553 nan 8.290 nan 0.000 0.529 166 V N 0.698 120.608 119.914 -0.006 0.000 2.656 166 V HA 0.514 4.634 4.120 -0.000 0.000 0.307 166 V C 0.471 176.559 176.094 -0.010 0.000 1.051 166 V CA -0.892 61.402 62.300 -0.009 0.000 0.893 166 V CB 1.945 33.763 31.823 -0.010 0.000 0.999 166 V HN 0.407 nan 8.190 nan 0.000 0.426 167 E N 5.344 125.537 120.200 -0.013 0.000 2.493 167 E HA 0.098 4.448 4.350 -0.000 0.000 0.255 167 E C -2.214 174.376 176.600 -0.018 0.000 0.999 167 E CA -0.999 55.391 56.400 -0.016 0.000 0.934 167 E CB 0.795 30.484 29.700 -0.019 0.000 0.940 167 E HN 0.420 nan 8.360 nan 0.000 0.473 168 P HA 0.059 nan 4.420 nan 0.000 0.274 168 P C -1.213 176.071 177.300 -0.026 0.000 1.260 168 P CA -0.336 62.752 63.100 -0.020 0.000 0.793 168 P CB 0.587 32.277 31.700 -0.016 0.000 1.048 169 A N 0.559 123.362 122.820 -0.028 0.000 2.445 169 A HA 0.139 4.459 4.320 -0.000 0.000 0.242 169 A C 0.238 177.798 177.584 -0.040 0.000 1.075 169 A CA 0.024 52.040 52.037 -0.034 0.000 0.777 169 A CB -0.332 18.648 19.000 -0.033 0.000 1.013 169 A HN 0.521 nan 8.150 nan 0.000 0.493 170 D N 1.859 122.231 120.400 -0.046 0.000 2.317 170 D HA 0.420 5.060 4.640 -0.000 0.000 0.234 170 D C -1.062 175.205 176.300 -0.055 0.000 1.112 170 D CA 0.080 54.046 54.000 -0.057 0.000 0.840 170 D CB 1.116 41.878 40.800 -0.063 0.000 1.078 170 D HN 0.132 nan 8.370 nan 0.000 0.486 171 V N 4.161 124.042 119.914 -0.054 0.000 2.417 171 V HA 0.337 4.457 4.120 -0.000 0.000 0.291 171 V C 0.179 176.245 176.094 -0.048 0.000 1.024 171 V CA -0.833 61.437 62.300 -0.051 0.000 0.861 171 V CB 1.952 33.745 31.823 -0.051 0.000 0.985 171 V HN 0.321 nan 8.190 nan 0.000 0.436 172 V N 5.600 125.488 119.914 -0.043 0.000 2.409 172 V HA 0.436 4.556 4.120 -0.000 0.000 0.291 172 V C -0.250 175.835 176.094 -0.017 0.000 1.020 172 V CA -0.569 61.712 62.300 -0.032 0.000 0.848 172 V CB 1.984 33.784 31.823 -0.037 0.000 0.990 172 V HN 0.624 nan 8.190 nan 0.000 0.430 173 V N 6.646 126.553 119.914 -0.012 0.000 2.350 173 V HA 0.459 4.579 4.120 -0.000 0.000 0.276 173 V C 0.006 176.108 176.094 0.013 0.000 1.028 173 V CA -0.380 61.920 62.300 0.000 0.000 0.860 173 V CB 1.494 33.309 31.823 -0.014 0.000 0.990 173 V HN 0.680 nan 8.190 nan 0.000 0.453 174 I N 4.930 125.517 120.570 0.029 0.000 2.291 174 I HA 0.690 4.860 4.170 -0.000 0.000 0.290 174 I C 0.774 176.900 176.117 0.015 0.000 1.050 174 I CA 0.111 61.427 61.300 0.027 0.000 1.245 174 I CB 0.878 38.911 38.000 0.056 0.000 1.405 174 I HN 0.871 nan 8.210 nan 0.000 0.478 175 G N 4.310 113.117 108.800 0.012 0.000 3.187 175 G HA2 0.151 4.111 3.960 -0.000 0.000 0.682 175 G HA3 0.151 4.111 3.960 -0.000 0.000 0.682 175 G C -0.315 174.607 174.900 0.036 0.000 1.266 175 G CA -0.357 44.752 45.100 0.014 0.000 0.902 175 G HN 0.815 nan 8.290 nan 0.000 0.589 176 A N 1.439 124.288 122.820 0.048 0.000 2.610 176 A HA 0.750 5.070 4.320 -0.000 0.000 0.286 176 A C 1.498 179.139 177.584 0.095 0.000 1.306 176 A CA 1.200 53.287 52.037 0.083 0.000 0.942 176 A CB -0.207 18.842 19.000 0.083 0.000 1.112 176 A HN 2.091 nan 8.150 nan 0.000 0.527 177 G N -1.158 107.688 108.800 0.076 0.000 2.553 177 G HA2 0.317 4.277 3.960 -0.000 0.000 0.278 177 G HA3 0.317 4.277 3.960 -0.000 0.000 0.278 177 G C 1.019 175.990 174.900 0.118 0.000 1.349 177 G CA 0.602 45.747 45.100 0.074 0.000 1.037 177 G HN 0.167 nan 8.290 nan 0.000 0.508 178 T N 0.797 115.413 114.554 0.102 0.000 2.624 178 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 178 T C 2.779 177.581 174.700 0.169 0.000 1.041 178 T CA 2.420 64.607 62.100 0.144 0.000 1.159 178 T CB -0.548 68.380 68.868 0.100 0.000 0.863 178 T HN 0.635 nan 8.240 nan 0.000 0.434 179 A N 1.239 124.119 122.820 0.101 0.000 1.877 179 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 179 A C 2.661 180.282 177.584 0.060 0.000 1.186 179 A CA 1.958 54.036 52.037 0.068 0.000 0.620 179 A CB -1.404 17.616 19.000 0.033 0.000 0.822 179 A HN 0.531 nan 8.150 nan 0.000 0.443 180 G N -1.512 107.330 108.800 0.069 0.000 2.421 180 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 180 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 180 G C 1.558 176.503 174.900 0.075 0.000 1.171 180 G CA 1.302 46.435 45.100 0.055 0.000 0.775 180 G HN 0.644 nan 8.290 nan 0.000 0.543 181 Y N 1.881 122.201 120.300 0.034 0.000 2.207 181 Y HA -0.148 4.402 4.550 -0.000 0.000 0.287 181 Y C 2.518 178.454 175.900 0.060 0.000 1.156 181 Y CA 2.087 60.224 58.100 0.061 0.000 1.182 181 Y CB -0.262 38.252 38.460 0.090 0.000 0.979 181 Y HN 0.159 nan 8.280 nan 0.000 0.521 182 N N 0.244 118.863 118.700 -0.135 0.000 2.250 182 N HA -0.092 4.648 4.740 -0.000 0.000 0.181 182 N C 2.005 177.414 175.510 -0.169 0.000 1.017 182 N CA 1.084 54.005 53.050 -0.216 0.000 0.866 182 N CB -0.341 38.139 38.487 -0.013 0.000 0.985 182 N HN 0.514 nan 8.380 nan 0.000 0.429 183 A N 1.390 124.151 122.820 -0.099 0.000 1.902 183 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 183 A C 2.382 179.887 177.584 -0.132 0.000 1.181 183 A CA 1.903 53.887 52.037 -0.088 0.000 0.623 183 A CB -0.726 18.243 19.000 -0.051 0.000 0.818 183 A HN 0.318 nan 8.150 nan 0.000 0.443 184 A N -0.129 122.591 122.820 -0.167 0.000 1.902 184 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 184 A C 2.241 179.631 177.584 -0.323 0.000 1.181 184 A CA 1.852 53.756 52.037 -0.221 0.000 0.623 184 A CB -0.475 18.397 19.000 -0.212 0.000 0.818 184 A HN 0.625 nan 8.150 nan 0.000 0.443 185 R N -0.526 119.750 120.500 -0.373 0.000 2.066 185 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 185 R C 1.721 177.921 176.300 -0.167 0.000 1.131 185 R CA 1.701 57.612 56.100 -0.316 0.000 0.955 185 R CB -0.311 29.811 30.300 -0.297 0.000 0.851 185 R HN 0.366 nan 8.270 nan 0.000 0.432 186 I N 1.417 121.903 120.570 -0.139 0.000 2.252 186 I HA -0.125 4.044 4.170 -0.000 0.000 0.245 186 I C 2.507 178.577 176.117 -0.078 0.000 1.102 186 I CA 1.456 62.707 61.300 -0.081 0.000 1.385 186 I CB -1.507 36.456 38.000 -0.062 0.000 1.064 186 I HN 0.351 nan 8.210 nan 0.000 0.414 187 A N 0.732 123.493 122.820 -0.099 0.000 1.930 187 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 187 A C 2.166 179.700 177.584 -0.084 0.000 1.175 187 A CA 1.974 53.963 52.037 -0.081 0.000 0.627 187 A CB -0.961 17.989 19.000 -0.084 0.000 0.815 187 A HN 0.482 nan 8.150 nan 0.000 0.443 188 N N 0.077 118.701 118.700 -0.126 0.000 2.120 188 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 188 N C 1.724 177.200 175.510 -0.057 0.000 1.024 188 N CA 1.904 54.883 53.050 -0.119 0.000 0.852 188 N CB -0.546 37.797 38.487 -0.241 0.000 1.003 188 N HN 0.288 nan 8.380 nan 0.000 0.424 189 G N -0.191 108.583 108.800 -0.043 0.000 2.448 189 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 189 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 189 G C 1.270 176.164 174.900 -0.010 0.000 1.127 189 G CA 0.522 45.619 45.100 -0.006 0.000 0.766 189 G HN 0.350 nan 8.290 nan 0.000 0.552 190 M N 0.241 119.828 119.600 -0.022 0.000 2.561 190 M HA 0.236 4.716 4.480 -0.000 0.000 0.238 190 M C 1.808 178.099 176.300 -0.015 0.000 1.131 190 M CA 0.702 55.992 55.300 -0.017 0.000 1.046 190 M CB 0.521 33.108 32.600 -0.022 0.000 1.532 190 M HN 0.352 nan 8.290 nan 0.000 0.497 191 G N 0.445 109.235 108.800 -0.016 0.000 2.176 191 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.232 191 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.232 191 G C 0.217 175.108 174.900 -0.015 0.000 0.986 191 G CA -0.046 45.047 45.100 -0.011 0.000 0.643 191 G HN 0.658 nan 8.290 nan 0.000 0.522 192 A N 0.090 122.894 122.820 -0.026 0.000 2.366 192 A HA 0.657 4.976 4.320 -0.000 0.000 0.249 192 A C 0.734 178.304 177.584 -0.024 0.000 1.084 192 A CA 1.109 53.129 52.037 -0.029 0.000 0.794 192 A CB 0.325 19.302 19.000 -0.039 0.000 1.034 192 A HN 0.773 nan 8.150 nan 0.000 0.491 193 T N 1.702 116.243 114.554 -0.023 0.000 2.729 193 T HA 0.448 4.798 4.350 -0.000 0.000 0.296 193 T C -0.232 174.456 174.700 -0.020 0.000 0.928 193 T CA -0.106 61.990 62.100 -0.008 0.000 1.045 193 T CB 0.256 69.102 68.868 -0.037 0.000 0.902 193 T HN 0.402 nan 8.240 nan 0.000 0.500 194 V N 4.356 124.278 119.914 0.013 0.000 2.435 194 V HA 0.470 4.590 4.120 -0.000 0.000 0.290 194 V C 0.390 176.509 176.094 0.042 0.000 1.030 194 V CA -0.744 61.547 62.300 -0.016 0.000 0.881 194 V CB 1.801 33.574 31.823 -0.084 0.000 0.983 194 V HN 0.878 nan 8.190 nan 0.000 0.445 195 T N 4.213 118.771 114.554 0.007 0.000 2.792 195 T HA 0.548 4.898 4.350 -0.000 0.000 0.280 195 T C -0.386 174.325 174.700 0.017 0.000 0.990 195 T CA -0.369 61.754 62.100 0.039 0.000 0.960 195 T CB 1.616 70.482 68.868 -0.002 0.000 0.939 195 T HN 0.348 nan 8.240 nan 0.000 0.439 196 V N 5.113 125.048 119.914 0.034 0.000 2.398 196 V HA 0.420 4.540 4.120 -0.000 0.000 0.286 196 V C -0.340 175.775 176.094 0.034 0.000 1.026 196 V CA -0.915 61.401 62.300 0.026 0.000 0.868 196 V CB 1.338 33.181 31.823 0.033 0.000 0.982 196 V HN 0.660 nan 8.190 nan 0.000 0.443 197 L N 4.652 125.884 121.223 0.016 0.000 2.295 197 L HA 0.696 5.036 4.340 -0.000 0.000 0.285 197 L C -0.312 176.546 176.870 -0.019 0.000 1.035 197 L CA 0.285 55.123 54.840 -0.003 0.000 0.806 197 L CB 1.430 43.480 42.059 -0.015 0.000 1.214 197 L HN 0.747 nan 8.230 nan 0.000 0.426 198 D N 2.086 122.455 120.400 -0.051 0.000 2.685 198 D HA 0.219 4.859 4.640 -0.000 0.000 0.236 198 D C 0.314 176.514 176.300 -0.166 0.000 1.233 198 D CA -0.380 53.580 54.000 -0.068 0.000 0.760 198 D CB 2.395 43.195 40.800 0.000 0.000 1.410 198 D HN 0.472 nan 8.370 nan 0.000 0.439 199 I N -0.661 119.801 120.570 -0.180 0.000 3.883 199 I HA 0.282 4.452 4.170 -0.000 0.000 0.326 199 I C 0.541 176.703 176.117 0.076 0.000 1.283 199 I CA -0.220 60.925 61.300 -0.258 0.000 1.161 199 I CB -0.001 37.856 38.000 -0.238 0.000 1.012 199 I HN -0.040 nan 8.210 nan 0.000 0.421 200 N N 2.459 121.199 118.700 0.067 0.000 2.469 200 N HA 0.287 5.027 4.740 -0.000 0.000 0.239 200 N C 0.755 176.340 175.510 0.126 0.000 1.053 200 N CA -0.067 53.044 53.050 0.101 0.000 0.937 200 N CB 0.850 39.374 38.487 0.062 0.000 1.163 200 N HN 0.307 nan 8.380 nan 0.000 0.509 201 I N 1.502 122.171 120.570 0.165 0.000 2.394 201 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 201 I C 1.583 177.757 176.117 0.094 0.000 1.136 201 I CA 0.681 62.072 61.300 0.151 0.000 1.425 201 I CB 0.002 38.075 38.000 0.122 0.000 1.079 201 I HN 0.453 nan 8.210 nan 0.000 0.425 202 D N 1.339 121.783 120.400 0.073 0.000 2.158 202 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 202 D C 2.150 178.481 176.300 0.051 0.000 0.995 202 D CA 1.410 55.441 54.000 0.052 0.000 0.846 202 D CB -0.006 40.818 40.800 0.040 0.000 0.941 202 D HN 0.379 nan 8.370 nan 0.000 0.456 203 K N 0.131 120.565 120.400 0.058 0.000 2.103 203 K HA -0.005 4.315 4.320 -0.000 0.000 0.204 203 K C 2.363 179.010 176.600 0.079 0.000 1.052 203 K CA 0.334 56.656 56.287 0.058 0.000 0.945 203 K CB 0.008 32.543 32.500 0.057 0.000 0.722 203 K HN 0.128 nan 8.250 nan 0.000 0.443 204 L N 0.534 121.811 121.223 0.089 0.000 2.046 204 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 204 L C 2.687 179.612 176.870 0.093 0.000 1.077 204 L CA 1.243 56.142 54.840 0.099 0.000 0.747 204 L CB -0.403 41.724 42.059 0.113 0.000 0.896 204 L HN 0.210 nan 8.230 nan 0.000 0.432 205 R N 0.220 120.766 120.500 0.077 0.000 2.096 205 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 205 R C 2.284 178.619 176.300 0.059 0.000 1.127 205 R CA 1.397 57.534 56.100 0.061 0.000 0.968 205 R CB -0.009 30.319 30.300 0.047 0.000 0.861 205 R HN 0.467 nan 8.270 nan 0.000 0.440 206 Q N 0.109 119.943 119.800 0.056 0.000 2.123 206 Q HA -0.111 4.229 4.340 -0.000 0.000 0.199 206 Q C 2.231 178.292 176.000 0.102 0.000 0.966 206 Q CA 1.303 57.133 55.803 0.046 0.000 0.845 206 Q CB -0.057 28.688 28.738 0.010 0.000 0.907 206 Q HN 0.340 nan 8.270 nan 0.000 0.439 207 L N 0.740 122.061 121.223 0.164 0.000 2.083 207 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 207 L C 2.100 179.142 176.870 0.287 0.000 1.083 207 L CA 1.390 56.412 54.840 0.303 0.000 0.752 207 L CB -0.324 41.892 42.059 0.263 0.000 0.899 207 L HN 0.255 nan 8.230 nan 0.000 0.433 208 D N -0.185 120.311 120.400 0.161 0.000 2.144 208 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 208 D C 2.128 178.488 176.300 0.100 0.000 0.984 208 D CA 1.276 55.346 54.000 0.117 0.000 0.834 208 D CB 0.178 41.021 40.800 0.072 0.000 0.955 208 D HN 0.268 nan 8.370 nan 0.000 0.465 209 A N 0.214 123.077 122.820 0.072 0.000 1.872 209 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 209 A C 2.154 179.732 177.584 -0.010 0.000 1.187 209 A CA 1.584 53.636 52.037 0.026 0.000 0.614 209 A CB -0.836 18.169 19.000 0.009 0.000 0.826 209 A HN 0.380 nan 8.150 nan 0.000 0.442 210 E N -0.994 119.186 120.200 -0.033 0.000 2.070 210 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 210 E C 0.785 177.145 176.600 -0.400 0.000 1.004 210 E CA 1.571 57.827 56.400 -0.241 0.000 0.805 210 E CB -0.203 29.305 29.700 -0.321 0.000 0.744 210 E HN 0.616 nan 8.360 nan 0.000 0.451 211 F N -0.846 119.129 119.950 0.042 0.000 2.639 211 F HA 0.251 4.778 4.527 -0.000 0.000 0.300 211 F C 0.576 176.374 175.800 -0.002 0.000 1.109 211 F CA -0.314 57.699 58.000 0.022 0.000 1.335 211 F CB 0.230 39.243 39.000 0.021 0.000 1.014 211 F HN 0.041 nan 8.300 nan 0.000 0.537 212 C N 1.845 121.210 119.300 0.108 0.000 4.235 212 C HA -0.117 4.343 4.460 -0.000 0.000 0.301 212 C C 1.811 176.828 174.990 0.045 0.000 1.409 212 C CA 0.589 59.642 59.018 0.058 0.000 2.024 212 C CB -1.798 25.965 27.740 0.039 0.000 1.286 212 C HN 1.120 nan 8.230 nan 0.000 0.746 213 G N -0.500 108.329 108.800 0.047 0.000 2.225 213 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.254 213 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.254 213 G C 0.854 175.679 174.900 -0.126 0.000 0.988 213 G CA 1.005 46.081 45.100 -0.040 0.000 0.625 213 G HN 0.868 nan 8.290 nan 0.000 0.527 214 R N 0.392 120.879 120.500 -0.021 0.000 2.091 214 R HA 0.135 4.475 4.340 -0.000 0.000 0.238 214 R C 1.195 177.418 176.300 -0.128 0.000 1.136 214 R CA 1.212 57.281 56.100 -0.051 0.000 0.959 214 R CB -0.225 30.108 30.300 0.055 0.000 0.856 214 R HN 0.484 nan 8.270 nan 0.000 0.437 215 I N 2.243 122.740 120.570 -0.121 0.000 2.396 215 I HA 0.053 4.223 4.170 -0.000 0.000 0.289 215 I C 0.127 176.181 176.117 -0.105 0.000 1.056 215 I CA -0.361 60.848 61.300 -0.152 0.000 1.365 215 I CB 0.956 38.750 38.000 -0.343 0.000 1.407 215 I HN 0.243 nan 8.210 nan 0.000 0.509 216 H N 4.600 123.654 119.070 -0.027 0.000 2.732 216 H HA 0.210 4.766 4.556 -0.000 0.000 0.351 216 H C 0.041 175.378 175.328 0.015 0.000 1.090 216 H CA 0.033 56.084 56.048 0.005 0.000 1.431 216 H CB 1.094 30.857 29.762 0.001 0.000 1.447 216 H HN 0.523 nan 8.280 nan 0.000 0.582 217 T N 1.767 116.397 114.554 0.127 0.000 2.841 217 T HA 0.518 4.868 4.350 -0.000 0.000 0.285 217 T C -0.014 174.758 174.700 0.121 0.000 0.991 217 T CA -1.250 60.914 62.100 0.107 0.000 0.966 217 T CB 1.898 70.823 68.868 0.095 0.000 0.962 217 T HN 0.408 nan 8.240 nan 0.000 0.438 218 R N 2.110 122.676 120.500 0.109 0.000 2.561 218 R HA 0.301 4.641 4.340 -0.000 0.000 0.297 218 R C -1.192 175.186 176.300 0.131 0.000 0.969 218 R CA -0.879 55.297 56.100 0.126 0.000 0.879 218 R CB 1.733 32.091 30.300 0.096 0.000 1.178 218 R HN 0.876 nan 8.270 nan 0.000 0.445 219 Y N 1.202 121.539 120.300 0.060 0.000 2.526 219 Y HA -0.043 4.507 4.550 -0.000 0.000 0.330 219 Y C 0.843 176.778 175.900 0.060 0.000 1.156 219 Y CA 0.772 58.905 58.100 0.055 0.000 1.419 219 Y CB 0.894 39.385 38.460 0.050 0.000 1.250 219 Y HN 0.540 nan 8.280 nan 0.000 0.540 220 S N 5.210 120.552 115.700 -0.595 0.000 4.069 220 S HA 0.084 4.554 4.470 -0.000 0.000 0.192 220 S C -0.145 174.299 174.600 -0.259 0.000 1.441 220 S CA -0.167 57.836 58.200 -0.329 0.000 0.994 220 S CB -1.433 61.598 63.200 -0.282 0.000 1.456 220 S HN 0.739 nan 8.310 nan 0.000 0.458 221 S N 1.414 117.090 115.700 -0.039 0.000 2.600 221 S HA 0.512 4.982 4.470 -0.000 0.000 0.265 221 S C 1.636 176.286 174.600 0.084 0.000 1.325 221 S CA -0.265 57.993 58.200 0.096 0.000 1.002 221 S CB 1.000 64.337 63.200 0.228 0.000 0.921 221 S HN 0.520 nan 8.310 nan 0.000 0.554 222 A N 0.737 123.616 122.820 0.098 0.000 1.940 222 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 222 A C 1.916 179.569 177.584 0.115 0.000 1.176 222 A CA 1.808 53.898 52.037 0.088 0.000 0.631 222 A CB -1.384 17.669 19.000 0.087 0.000 0.814 222 A HN 1.041 nan 8.150 nan 0.000 0.446 223 Y N 0.405 120.724 120.300 0.032 0.000 2.200 223 Y HA -0.146 4.404 4.550 -0.000 0.000 0.290 223 Y C 2.379 178.294 175.900 0.025 0.000 1.137 223 Y CA 1.995 60.112 58.100 0.028 0.000 1.163 223 Y CB 0.002 38.482 38.460 0.033 0.000 0.988 223 Y HN 0.297 nan 8.280 nan 0.000 0.518 224 E N 0.126 120.428 120.200 0.170 0.000 2.047 224 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 224 E C 2.166 178.746 176.600 -0.034 0.000 0.987 224 E CA 1.133 57.567 56.400 0.056 0.000 0.799 224 E CB -0.685 29.095 29.700 0.132 0.000 0.752 224 E HN 0.454 nan 8.360 nan 0.000 0.449 225 L N 1.941 123.157 121.223 -0.011 0.000 2.017 225 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 225 L C 1.923 178.766 176.870 -0.046 0.000 1.073 225 L CA 1.870 56.697 54.840 -0.023 0.000 0.745 225 L CB -0.585 41.469 42.059 -0.008 0.000 0.894 225 L HN 0.049 nan 8.230 nan 0.000 0.432 226 E N -0.580 119.588 120.200 -0.055 0.000 2.051 226 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 226 E C 2.090 178.617 176.600 -0.122 0.000 0.991 226 E CA 1.052 57.412 56.400 -0.067 0.000 0.799 226 E CB -0.641 29.028 29.700 -0.051 0.000 0.748 226 E HN 0.662 nan 8.360 nan 0.000 0.449 227 G N 1.439 110.105 108.800 -0.222 0.000 2.440 227 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 227 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 227 G C 1.738 176.548 174.900 -0.149 0.000 1.154 227 G CA 1.053 46.005 45.100 -0.246 0.000 0.767 227 G HN 0.353 nan 8.290 nan 0.000 0.552 228 A N -0.034 122.715 122.820 -0.117 0.000 1.902 228 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 228 A C 2.608 180.147 177.584 -0.075 0.000 1.181 228 A CA 1.855 53.842 52.037 -0.083 0.000 0.623 228 A CB -0.617 18.349 19.000 -0.056 0.000 0.818 228 A HN 0.268 nan 8.150 nan 0.000 0.443 229 V N 0.022 119.894 119.914 -0.070 0.000 2.358 229 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 229 V C 2.390 178.446 176.094 -0.063 0.000 1.047 229 V CA 2.293 64.553 62.300 -0.068 0.000 1.035 229 V CB -0.611 31.174 31.823 -0.063 0.000 0.658 229 V HN 0.554 nan 8.190 nan 0.000 0.452 230 K N -0.140 120.226 120.400 -0.057 0.000 2.148 230 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 230 K C 2.184 178.752 176.600 -0.053 0.000 1.050 230 K CA 1.093 57.354 56.287 -0.043 0.000 0.942 230 K CB -0.167 32.304 32.500 -0.048 0.000 0.724 230 K HN 0.399 nan 8.250 nan 0.000 0.446 231 R N 0.432 120.892 120.500 -0.067 0.000 2.275 231 R HA 0.141 4.481 4.340 -0.000 0.000 0.199 231 R C 0.409 176.673 176.300 -0.061 0.000 0.989 231 R CA -0.013 56.048 56.100 -0.065 0.000 1.016 231 R CB 0.242 30.497 30.300 -0.075 0.000 0.918 231 R HN 0.039 nan 8.270 nan 0.000 0.473 232 A N 1.128 123.910 122.820 -0.062 0.000 2.354 232 A HA 0.101 4.421 4.320 -0.000 0.000 0.269 232 A C 0.177 177.728 177.584 -0.056 0.000 1.109 232 A CA -0.500 51.500 52.037 -0.062 0.000 0.800 232 A CB 0.529 19.488 19.000 -0.069 0.000 1.045 232 A HN 0.055 nan 8.150 nan 0.000 0.489 233 D N 0.416 120.785 120.400 -0.052 0.000 2.240 233 D HA 0.070 4.710 4.640 -0.000 0.000 0.206 233 D C 0.103 176.374 176.300 -0.049 0.000 0.963 233 D CA 0.970 54.943 54.000 -0.044 0.000 0.863 233 D CB 0.305 41.082 40.800 -0.038 0.000 0.973 233 D HN 0.361 nan 8.370 nan 0.000 0.501 234 L N 1.350 122.539 121.223 -0.056 0.000 2.438 234 L HA 0.326 4.666 4.340 -0.000 0.000 0.270 234 L C -1.603 175.227 176.870 -0.066 0.000 0.972 234 L CA -0.535 54.270 54.840 -0.058 0.000 0.831 234 L CB 2.484 44.516 42.059 -0.046 0.000 1.273 234 L HN -0.349 nan 8.230 nan 0.000 0.405 235 V N 5.855 125.717 119.914 -0.086 0.000 2.409 235 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 235 V C -0.006 176.105 176.094 0.029 0.000 1.020 235 V CA -0.403 61.859 62.300 -0.064 0.000 0.848 235 V CB 1.924 33.648 31.823 -0.165 0.000 0.990 235 V HN 0.537 nan 8.190 nan 0.000 0.430 236 I N 4.015 124.620 120.570 0.059 0.000 2.355 236 I HA 0.509 4.679 4.170 -0.000 0.000 0.288 236 I C 0.865 177.045 176.117 0.106 0.000 0.999 236 I CA -0.229 61.118 61.300 0.078 0.000 1.163 236 I CB 1.633 39.638 38.000 0.007 0.000 1.316 236 I HN 0.731 nan 8.210 nan 0.000 0.454 237 G N 4.562 113.426 108.800 0.108 0.000 2.350 237 G HA2 0.535 4.495 3.960 -0.000 0.000 0.306 237 G HA3 0.535 4.495 3.960 -0.000 0.000 0.306 237 G C 0.174 174.988 174.900 -0.144 0.000 1.094 237 G CA -0.254 44.803 45.100 -0.071 0.000 0.953 237 G HN 0.781 nan 8.290 nan 0.000 0.420 238 A N 3.100 125.879 122.820 -0.068 0.000 2.674 238 A HA 0.495 4.815 4.320 -0.000 0.000 0.286 238 A C -0.024 177.538 177.584 -0.037 0.000 0.980 238 A CA -0.192 51.814 52.037 -0.052 0.000 1.028 238 A CB 0.597 19.588 19.000 -0.016 0.000 1.199 238 A HN 0.560 nan 8.150 nan 0.000 0.499 239 V N 2.013 121.894 119.914 -0.056 0.000 2.334 239 V HA 0.341 4.461 4.120 -0.000 0.000 0.267 239 V C 0.330 176.400 176.094 -0.041 0.000 1.040 239 V CA -0.197 62.082 62.300 -0.035 0.000 0.866 239 V CB 0.656 32.461 31.823 -0.029 0.000 1.019 239 V HN 0.662 nan 8.190 nan 0.000 0.468 247 P HA 0.397 nan 4.420 nan 0.000 0.276 247 P C -1.141 176.170 177.300 0.018 0.000 1.244 247 P CA -0.172 62.933 63.100 0.007 0.000 0.801 247 P CB 0.673 32.379 31.700 0.009 0.000 1.006 248 K N 2.683 123.107 120.400 0.041 0.000 2.257 248 K HA 0.190 4.509 4.320 -0.000 0.000 0.270 248 K C 0.673 177.326 176.600 0.089 0.000 1.098 248 K CA -0.579 55.753 56.287 0.076 0.000 0.943 248 K CB 0.675 33.226 32.500 0.085 0.000 1.316 248 K HN 0.290 nan 8.250 nan 0.000 0.447 249 L N 1.498 122.787 121.223 0.111 0.000 2.307 249 L HA 0.083 4.423 4.340 -0.000 0.000 0.211 249 L C 0.770 177.714 176.870 0.123 0.000 1.099 249 L CA 0.733 55.634 54.840 0.102 0.000 0.816 249 L CB -0.203 41.909 42.059 0.088 0.000 0.952 249 L HN 0.120 nan 8.230 nan 0.000 0.455 250 V N 1.029 121.060 119.914 0.195 0.000 2.311 250 V HA 0.298 4.418 4.120 -0.000 0.000 0.275 250 V C 0.551 176.730 176.094 0.142 0.000 1.022 250 V CA -0.761 61.619 62.300 0.132 0.000 0.830 250 V CB 0.954 32.800 31.823 0.037 0.000 1.012 250 V HN 0.333 nan 8.190 nan 0.000 0.452 251 S N 3.638 119.395 115.700 0.094 0.000 2.592 251 S HA 0.201 4.671 4.470 -0.000 0.000 0.271 251 S C 1.053 175.709 174.600 0.094 0.000 1.326 251 S CA -0.542 57.712 58.200 0.091 0.000 1.024 251 S CB 0.774 64.009 63.200 0.058 0.000 0.921 251 S HN 0.598 nan 8.310 nan 0.000 0.527 252 N N 1.727 120.487 118.700 0.101 0.000 2.205 252 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 252 N C 1.905 177.474 175.510 0.099 0.000 1.015 252 N CA 1.658 54.782 53.050 0.122 0.000 0.862 252 N CB -0.673 37.876 38.487 0.103 0.000 0.986 252 N HN 0.864 nan 8.380 nan 0.000 0.429 253 S N -0.372 115.331 115.700 0.006 0.000 2.496 253 S HA 0.036 4.506 4.470 -0.000 0.000 0.224 253 S C 1.837 176.309 174.600 -0.214 0.000 0.996 253 S CA -0.011 58.106 58.200 -0.139 0.000 0.927 253 S CB -0.187 62.947 63.200 -0.110 0.000 0.774 253 S HN 0.165 nan 8.310 nan 0.000 0.524 254 L N 2.103 123.282 121.223 -0.073 0.000 2.056 254 L HA 0.149 4.489 4.340 -0.000 0.000 0.207 254 L C 2.390 179.222 176.870 -0.064 0.000 1.078 254 L CA 1.409 56.226 54.840 -0.039 0.000 0.749 254 L CB -0.921 41.145 42.059 0.013 0.000 0.901 254 L HN 0.217 nan 8.230 nan 0.000 0.433 255 V N 0.416 120.317 119.914 -0.021 0.000 2.469 255 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 255 V C 2.807 178.872 176.094 -0.048 0.000 1.064 255 V CA 1.470 63.785 62.300 0.026 0.000 1.066 255 V CB -1.382 30.536 31.823 0.158 0.000 0.667 255 V HN 0.622 nan 8.190 nan 0.000 0.461 256 A N -0.959 121.704 122.820 -0.262 0.000 2.024 256 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 256 A C 1.834 179.245 177.584 -0.289 0.000 1.164 256 A CA 1.905 53.632 52.037 -0.516 0.000 0.643 256 A CB -0.733 17.792 19.000 -0.791 0.000 0.806 256 A HN 0.774 nan 8.150 nan 0.000 0.451 257 H N -1.965 117.046 119.070 -0.099 0.000 2.551 257 H HA 0.345 4.901 4.556 0.000 0.000 0.271 257 H C 0.399 175.692 175.328 -0.058 0.000 0.984 257 H CA -0.607 55.396 56.048 -0.075 0.000 1.164 257 H CB 0.092 29.814 29.762 -0.067 0.000 1.437 257 H HN 0.401 nan 8.280 nan 0.000 0.550 258 M N 1.057 120.681 119.600 0.040 0.000 2.228 258 M HA 0.113 4.593 4.480 -0.000 0.000 0.326 258 M C 0.186 176.490 176.300 0.007 0.000 1.122 258 M CA -0.039 55.268 55.300 0.011 0.000 1.161 258 M CB 0.882 33.478 32.600 -0.008 0.000 1.437 258 M HN 0.053 nan 8.290 nan 0.000 0.465 259 K N 1.899 122.295 120.400 -0.007 0.000 2.451 259 K HA 0.135 4.455 4.320 -0.000 0.000 0.280 259 K C -2.380 174.218 176.600 -0.003 0.000 1.020 259 K CA -1.194 55.088 56.287 -0.008 0.000 1.008 259 K CB -0.359 32.130 32.500 -0.018 0.000 0.917 259 K HN 0.230 nan 8.250 nan 0.000 0.478 260 P HA -0.082 nan 4.420 nan 0.000 0.261 260 P C 0.500 177.801 177.300 0.002 0.000 1.183 260 P CA 1.007 64.110 63.100 0.006 0.000 0.761 260 P CB 0.549 32.252 31.700 0.004 0.000 0.785 261 G N 2.168 110.972 108.800 0.008 0.000 2.157 261 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.239 261 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.239 261 G C 0.442 175.344 174.900 0.002 0.000 0.982 261 G CA -0.130 44.974 45.100 0.008 0.000 0.650 261 G HN 0.826 nan 8.290 nan 0.000 0.527 262 A N -0.417 122.401 122.820 -0.005 0.000 2.483 262 A HA 0.602 4.922 4.320 -0.000 0.000 0.238 262 A C 0.574 178.144 177.584 -0.023 0.000 1.070 262 A CA 0.732 52.756 52.037 -0.021 0.000 0.770 262 A CB 0.786 19.766 19.000 -0.033 0.000 1.008 262 A HN 1.206 nan 8.150 nan 0.000 0.497 263 V N 3.509 123.399 119.914 -0.040 0.000 2.435 263 V HA 0.396 4.516 4.120 -0.000 0.000 0.290 263 V C -0.261 175.759 176.094 -0.123 0.000 1.030 263 V CA -0.475 61.798 62.300 -0.046 0.000 0.881 263 V CB 1.324 33.146 31.823 -0.001 0.000 0.983 263 V HN 0.678 nan 8.190 nan 0.000 0.445 264 L N 5.489 126.585 121.223 -0.211 0.000 2.349 264 L HA 0.578 4.918 4.340 -0.000 0.000 0.278 264 L C -0.679 176.111 176.870 -0.134 0.000 0.996 264 L CA -0.570 54.042 54.840 -0.379 0.000 0.825 264 L CB 1.864 43.268 42.059 -1.092 0.000 1.243 264 L HN 0.346 nan 8.230 nan 0.000 0.412 265 V N 2.307 122.268 119.914 0.079 0.000 2.328 265 V HA 0.234 4.354 4.120 -0.000 0.000 0.278 265 V C -0.118 176.066 176.094 0.150 0.000 1.021 265 V CA -0.520 61.864 62.300 0.139 0.000 0.838 265 V CB 1.904 33.736 31.823 0.015 0.000 0.999 265 V HN 0.589 nan 8.190 nan 0.000 0.447 266 D N 4.509 124.932 120.400 0.037 0.000 2.441 266 D HA 0.335 4.975 4.640 -0.000 0.000 0.221 266 D C 0.998 177.195 176.300 -0.172 0.000 1.156 266 D CA -0.102 53.691 54.000 -0.345 0.000 0.896 266 D CB 1.184 41.715 40.800 -0.448 0.000 1.028 266 D HN 0.478 nan 8.370 nan 0.000 0.509 267 I N 2.055 122.529 120.570 -0.159 0.000 2.546 267 I HA -0.144 4.026 4.170 -0.000 0.000 0.255 267 I C 2.161 178.207 176.117 -0.118 0.000 1.163 267 I CA 0.386 61.632 61.300 -0.090 0.000 1.457 267 I CB 0.062 38.027 38.000 -0.058 0.000 1.092 267 I HN 0.338 nan 8.210 nan 0.000 0.434 268 A N 0.612 123.321 122.820 -0.185 0.000 2.239 268 A HA -0.077 4.243 4.320 -0.000 0.000 0.209 268 A C 2.105 179.606 177.584 -0.138 0.000 1.171 268 A CA 0.497 52.440 52.037 -0.157 0.000 0.768 268 A CB -0.613 18.275 19.000 -0.187 0.000 0.790 268 A HN 0.352 nan 8.150 nan 0.000 0.478 269 I N 0.802 121.290 120.570 -0.137 0.000 2.399 269 I HA -0.247 3.922 4.170 -0.000 0.000 0.254 269 I C 1.128 177.186 176.117 -0.097 0.000 1.146 269 I CA 1.782 63.021 61.300 -0.102 0.000 1.412 269 I CB -0.359 37.594 38.000 -0.077 0.000 1.076 269 I HN 0.371 nan 8.210 nan 0.000 0.432 270 D N -0.252 120.082 120.400 -0.110 0.000 2.310 270 D HA -0.158 4.482 4.640 -0.000 0.000 0.212 270 D C 1.170 177.398 176.300 -0.120 0.000 0.965 270 D CA 0.872 54.791 54.000 -0.135 0.000 0.879 270 D CB -0.043 40.661 40.800 -0.160 0.000 0.921 270 D HN 0.514 nan 8.370 nan 0.000 0.510 271 Q N -1.066 118.680 119.800 -0.090 0.000 2.155 271 Q HA 0.431 4.771 4.340 -0.000 0.000 0.273 271 Q C 0.808 176.776 176.000 -0.054 0.000 0.857 271 Q CA -0.001 55.763 55.803 -0.064 0.000 1.116 271 Q CB 1.454 30.163 28.738 -0.048 0.000 1.209 271 Q HN 0.175 nan 8.270 nan 0.000 0.460 272 G N -0.406 108.359 108.800 -0.057 0.000 2.254 272 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.225 272 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.225 272 G C 0.469 175.345 174.900 -0.040 0.000 1.003 272 G CA -0.284 44.792 45.100 -0.040 0.000 0.622 272 G HN 1.041 nan 8.290 nan 0.000 0.507 273 G N -1.707 107.046 108.800 -0.078 0.000 2.721 273 G HA2 0.205 4.165 3.960 -0.000 0.000 0.686 273 G HA3 0.205 4.165 3.960 -0.000 0.000 0.686 273 G C 1.009 175.823 174.900 -0.143 0.000 1.236 273 G CA 0.692 45.714 45.100 -0.131 0.000 0.786 273 G HN 2.123 nan 8.290 nan 0.000 0.616 274 C N 0.345 119.463 119.300 -0.303 0.000 2.884 274 C HA 0.736 5.196 4.460 -0.000 0.000 0.287 274 C C 0.773 175.744 174.990 -0.032 0.000 1.310 274 C CA -1.126 57.776 59.018 -0.193 0.000 1.725 274 C CB -1.814 25.801 27.740 -0.209 0.000 2.060 274 C HN 0.521 nan 8.230 nan 0.000 0.618 275 F N 1.252 121.229 119.950 0.046 0.000 2.469 275 F HA 0.358 4.885 4.527 0.000 0.000 0.332 275 F C 1.667 177.566 175.800 0.165 0.000 1.103 275 F CA -0.783 57.275 58.000 0.096 0.000 0.979 275 F CB 1.165 40.219 39.000 0.090 0.000 1.137 275 F HN 0.140 nan 8.300 nan 0.000 0.463 276 E N 2.351 122.758 120.200 0.344 0.000 2.114 276 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 276 E C 1.955 178.702 176.600 0.245 0.000 1.008 276 E CA 1.713 58.248 56.400 0.225 0.000 0.810 276 E CB -0.125 29.666 29.700 0.151 0.000 0.739 276 E HN 0.919 nan 8.360 nan 0.000 0.456 277 G N -0.032 108.983 108.800 0.359 0.000 2.985 277 G HA2 0.013 3.973 3.960 -0.000 0.000 0.209 277 G HA3 0.013 3.973 3.960 -0.000 0.000 0.209 277 G C 0.256 175.386 174.900 0.383 0.000 1.165 277 G CA -0.053 45.161 45.100 0.190 0.000 0.776 277 G HN 0.086 nan 8.290 nan 0.000 0.541 278 S N 0.632 116.706 115.700 0.624 0.000 2.537 278 S HA 0.412 4.882 4.470 -0.000 0.000 0.286 278 S C 0.285 175.064 174.600 0.298 0.000 1.299 278 S CA 0.024 58.574 58.200 0.584 0.000 1.067 278 S CB 0.662 64.077 63.200 0.358 0.000 0.864 278 S HN 0.701 nan 8.310 nan 0.000 0.494 279 R N 2.198 122.858 120.500 0.266 0.000 2.740 279 R HA 0.714 5.054 4.340 -0.000 0.000 0.273 279 R C -3.409 172.908 176.300 0.028 0.000 0.998 279 R CA -2.115 53.993 56.100 0.014 0.000 0.900 279 R CB 0.013 30.205 30.300 -0.181 0.000 1.223 279 R HN 0.244 nan 8.270 nan 0.000 0.466 280 P HA 0.336 nan 4.420 nan 0.000 0.281 280 P C -0.822 176.433 177.300 -0.075 0.000 1.249 280 P CA -0.362 62.711 63.100 -0.046 0.000 0.810 280 P CB 1.649 33.304 31.700 -0.074 0.000 1.008 281 T N -0.060 114.433 114.554 -0.101 0.000 2.883 281 T HA 0.640 4.990 4.350 -0.000 0.000 0.296 281 T C -0.732 173.842 174.700 -0.210 0.000 1.117 281 T CA -0.313 61.723 62.100 -0.107 0.000 1.006 281 T CB 1.227 70.074 68.868 -0.034 0.000 1.191 281 T HN 0.574 nan 8.240 nan 0.000 0.508 282 T N -0.235 114.212 114.554 -0.179 0.000 2.940 282 T HA 0.497 4.847 4.350 -0.000 0.000 0.288 282 T C 0.580 175.121 174.700 -0.264 0.000 1.045 282 T CA -0.623 61.343 62.100 -0.223 0.000 1.018 282 T CB 0.711 69.540 68.868 -0.065 0.000 1.151 282 T HN 0.501 nan 8.240 nan 0.000 0.529 283 Y N 0.916 121.188 120.300 -0.047 0.000 2.193 283 Y HA -0.121 4.429 4.550 -0.000 0.000 0.285 283 Y C 2.142 178.010 175.900 -0.053 0.000 1.166 283 Y CA 1.923 60.010 58.100 -0.021 0.000 1.181 283 Y CB -0.900 37.565 38.460 0.009 0.000 0.976 283 Y HN 0.681 nan 8.280 nan 0.000 0.520 284 D N -1.795 118.606 120.400 0.002 0.000 2.117 284 D HA -0.114 4.525 4.640 -0.000 0.000 0.198 284 D C 0.209 176.189 176.300 -0.534 0.000 0.982 284 D CA 1.635 55.474 54.000 -0.269 0.000 0.828 284 D CB -0.410 40.172 40.800 -0.363 0.000 0.967 284 D HN 0.457 nan 8.370 nan 0.000 0.464 285 H N -0.573 118.526 119.070 0.047 0.000 2.541 285 H HA 0.220 4.776 4.556 -0.000 0.000 0.246 285 H C -1.770 173.550 175.328 -0.013 0.000 1.341 285 H CA -1.394 54.678 56.048 0.039 0.000 1.469 285 H CB 1.589 31.371 29.762 0.033 0.000 1.472 285 H HN 0.003 nan 8.280 nan 0.000 0.503 286 P HA -0.089 nan 4.420 nan 0.000 0.222 286 P C 0.515 177.680 177.300 -0.224 0.000 1.153 286 P CA 0.870 63.838 63.100 -0.220 0.000 0.798 286 P CB 0.611 32.216 31.700 -0.159 0.000 0.796 287 T N -2.078 112.471 114.554 -0.008 0.000 2.916 287 T HA 0.663 5.013 4.350 -0.000 0.000 0.292 287 T C -0.666 174.134 174.700 0.166 0.000 1.055 287 T CA -0.826 61.272 62.100 -0.002 0.000 1.009 287 T CB 1.873 70.716 68.868 -0.042 0.000 1.118 287 T HN 0.056 nan 8.240 nan 0.000 0.497 288 F N -1.002 118.968 119.950 0.034 0.000 2.662 288 F HA 0.897 5.424 4.527 -0.000 0.000 0.312 288 F C -0.643 175.147 175.800 -0.017 0.000 1.113 288 F CA -1.838 56.158 58.000 -0.006 0.000 0.951 288 F CB 0.878 39.849 39.000 -0.048 0.000 1.344 288 F HN 0.873 nan 8.300 nan 0.000 0.462 289 A N 1.132 124.013 122.820 0.102 0.000 2.310 289 A HA 0.707 5.027 4.320 -0.000 0.000 0.299 289 A C -0.873 176.650 177.584 -0.101 0.000 1.147 289 A CA -0.265 51.752 52.037 -0.033 0.000 0.818 289 A CB 1.129 20.125 19.000 -0.006 0.000 1.096 289 A HN 1.918 nan 8.150 nan 0.000 0.495 290 V N 4.198 123.962 119.914 -0.251 0.000 2.532 290 V HA 0.597 4.717 4.120 -0.000 0.000 0.294 290 V C 0.182 176.135 176.094 -0.236 0.000 1.036 290 V CA -0.307 61.756 62.300 -0.395 0.000 0.876 290 V CB 0.082 31.439 31.823 -0.777 0.000 1.012 290 V HN 1.195 nan 8.190 nan 0.000 0.432 291 H N 3.781 122.790 119.070 -0.102 0.000 1.452 291 H HA -0.190 4.366 4.556 0.000 0.000 0.090 291 H C -0.022 175.279 175.328 -0.044 0.000 0.910 291 H CA 1.726 57.734 56.048 -0.066 0.000 1.901 291 H CB -0.882 28.837 29.762 -0.070 0.000 2.257 291 H HN 0.853 nan 8.280 nan 0.000 0.961 292 D N 1.757 122.224 120.400 0.112 0.000 2.722 292 D HA 0.270 4.910 4.640 -0.000 0.000 0.239 292 D C 0.032 176.355 176.300 0.038 0.000 1.249 292 D CA 0.375 54.405 54.000 0.051 0.000 0.830 292 D CB 0.385 41.207 40.800 0.037 0.000 1.025 292 D HN 0.149 nan 8.370 nan 0.000 0.486 293 T N 0.094 114.672 114.554 0.039 0.000 2.906 293 T HA 0.530 4.880 4.350 -0.000 0.000 0.295 293 T C -0.843 173.885 174.700 0.047 0.000 1.075 293 T CA -0.510 61.621 62.100 0.053 0.000 1.005 293 T CB 1.849 70.777 68.868 0.101 0.000 1.136 293 T HN -0.060 nan 8.240 nan 0.000 0.498 294 L N 2.810 124.070 121.223 0.061 0.000 2.333 294 L HA 0.566 4.906 4.340 -0.000 0.000 0.280 294 L C -1.252 175.663 176.870 0.076 0.000 1.004 294 L CA -0.762 54.098 54.840 0.033 0.000 0.820 294 L CB 1.102 43.177 42.059 0.028 0.000 1.247 294 L HN 0.552 nan 8.230 nan 0.000 0.416 295 F N 2.964 122.647 119.950 -0.445 0.000 2.420 295 F HA 0.287 4.814 4.527 -0.000 0.000 0.342 295 F C -0.206 175.373 175.800 -0.368 0.000 1.113 295 F CA -0.623 57.086 58.000 -0.485 0.000 1.059 295 F CB 1.117 39.523 39.000 -0.989 0.000 1.128 295 F HN 0.233 nan 8.300 nan 0.000 0.475 296 Y N 3.438 123.638 120.300 -0.167 0.000 2.356 296 Y HA 0.437 4.987 4.550 -0.000 0.000 0.334 296 Y C -0.610 175.264 175.900 -0.043 0.000 0.958 296 Y CA -0.725 57.294 58.100 -0.134 0.000 1.196 296 Y CB 0.833 39.187 38.460 -0.177 0.000 1.137 296 Y HN 0.597 nan 8.280 nan 0.000 0.485 297 C N 7.011 126.197 119.300 -0.190 0.000 2.955 297 C HA 0.317 4.777 4.460 -0.000 0.000 0.229 297 C C 0.077 174.919 174.990 -0.246 0.000 1.842 297 C CA -0.963 58.009 59.018 -0.077 0.000 1.539 297 C CB -1.544 26.281 27.740 0.141 0.000 2.869 297 C HN 0.707 nan 8.230 nan 0.000 0.503 298 V N 0.772 120.373 119.914 -0.522 0.000 2.686 298 V HA 0.792 4.912 4.120 -0.000 0.000 0.295 298 V C 0.414 176.343 176.094 -0.275 0.000 1.055 298 V CA 0.091 62.099 62.300 -0.486 0.000 1.050 298 V CB 0.852 32.205 31.823 -0.783 0.000 0.984 298 V HN 0.584 nan 8.190 nan 0.000 0.482 299 A N 4.243 126.904 122.820 -0.266 0.000 2.322 299 A HA 0.526 4.846 4.320 -0.000 0.000 0.269 299 A C 0.790 178.304 177.584 -0.116 0.000 1.094 299 A CA -0.131 51.808 52.037 -0.165 0.000 0.807 299 A CB -0.183 18.730 19.000 -0.145 0.000 1.047 299 A HN 1.520 nan 8.150 nan 0.000 0.487 300 N N 0.636 119.297 118.700 -0.065 0.000 2.740 300 N HA -0.189 4.551 4.740 -0.000 0.000 0.248 300 N C 0.866 176.441 175.510 0.108 0.000 1.062 300 N CA 1.230 54.278 53.050 -0.003 0.000 0.704 300 N CB -1.290 37.207 38.487 0.017 0.000 0.968 300 N HN 0.812 nan 8.380 nan 0.000 0.547 301 M N -0.254 119.403 119.600 0.095 0.000 2.103 301 M HA -0.211 4.269 4.480 -0.000 0.000 0.255 301 M C -0.725 175.695 176.300 0.201 0.000 1.074 301 M CA 2.517 57.935 55.300 0.198 0.000 1.090 301 M CB -1.171 31.523 32.600 0.156 0.000 1.325 301 M HN 0.118 nan 8.290 nan 0.000 0.403 302 P HA -0.115 nan 4.420 nan 0.000 0.219 302 P C 0.920 178.290 177.300 0.116 0.000 1.146 302 P CA 1.726 64.890 63.100 0.106 0.000 0.808 302 P CB -0.249 31.499 31.700 0.079 0.000 0.779 303 A N -0.600 122.297 122.820 0.129 0.000 2.131 303 A HA -0.176 4.143 4.320 -0.000 0.000 0.220 303 A C 2.179 179.795 177.584 0.053 0.000 1.158 303 A CA 1.833 53.930 52.037 0.099 0.000 0.665 303 A CB -1.396 17.659 19.000 0.091 0.000 0.795 303 A HN 0.172 nan 8.150 nan 0.000 0.460 304 S N -0.915 114.821 115.700 0.061 0.000 2.453 304 S HA 0.029 4.499 4.470 -0.000 0.000 0.231 304 S C 0.868 175.475 174.600 0.011 0.000 1.005 304 S CA 1.059 59.233 58.200 -0.043 0.000 0.949 304 S CB -0.168 63.077 63.200 0.075 0.000 0.774 304 S HN 0.909 nan 8.310 nan 0.000 0.510 305 V N -1.001 118.946 119.914 0.055 0.000 2.361 305 V HA 0.397 4.517 4.120 -0.000 0.000 0.252 305 V C -2.676 173.465 176.094 0.079 0.000 0.986 305 V CA -1.806 60.525 62.300 0.051 0.000 1.033 305 V CB 0.746 32.595 31.823 0.045 0.000 1.282 305 V HN -0.032 nan 8.190 nan 0.000 0.514 306 P HA -0.050 nan 4.420 nan 0.000 0.221 306 P C 1.594 178.979 177.300 0.141 0.000 1.150 306 P CA 1.145 64.325 63.100 0.133 0.000 0.800 306 P CB 0.456 32.262 31.700 0.177 0.000 0.787 307 K N -0.181 120.285 120.400 0.110 0.000 2.002 307 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 307 K C 1.842 178.544 176.600 0.170 0.000 1.048 307 K CA 2.076 58.444 56.287 0.135 0.000 0.930 307 K CB -0.934 31.594 32.500 0.047 0.000 0.714 307 K HN -0.048 nan 8.250 nan 0.000 0.438 308 T N 0.135 114.744 114.554 0.091 0.000 2.652 308 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 308 T C 2.057 176.847 174.700 0.151 0.000 1.039 308 T CA 1.786 63.940 62.100 0.090 0.000 1.153 308 T CB -0.369 68.529 68.868 0.050 0.000 0.863 308 T HN 0.216 nan 8.240 nan 0.000 0.428 309 S N 0.783 116.565 115.700 0.137 0.000 2.383 309 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 309 S C 2.405 177.092 174.600 0.145 0.000 1.026 309 S CA 1.246 59.527 58.200 0.135 0.000 0.981 309 S CB -0.632 62.643 63.200 0.125 0.000 0.818 309 S HN 0.521 nan 8.310 nan 0.000 0.472 310 T N 0.921 115.571 114.554 0.160 0.000 2.684 310 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 310 T C 1.450 176.180 174.700 0.050 0.000 1.036 310 T CA 1.496 63.656 62.100 0.100 0.000 1.148 310 T CB -0.420 68.500 68.868 0.087 0.000 0.863 310 T HN 0.473 nan 8.240 nan 0.000 0.436 311 Y N 1.005 121.329 120.300 0.040 0.000 2.220 311 Y HA 0.066 4.616 4.550 -0.000 0.000 0.291 311 Y C 2.696 178.611 175.900 0.025 0.000 1.129 311 Y CA 0.671 58.788 58.100 0.029 0.000 1.161 311 Y CB -0.514 37.959 38.460 0.021 0.000 0.997 311 Y HN 0.182 nan 8.280 nan 0.000 0.522 312 A N 0.015 122.946 122.820 0.185 0.000 1.865 312 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 312 A C 2.143 179.766 177.584 0.065 0.000 1.191 312 A CA 1.925 54.031 52.037 0.115 0.000 0.623 312 A CB -1.130 17.934 19.000 0.107 0.000 0.826 312 A HN 0.432 nan 8.150 nan 0.000 0.444 313 L N 0.380 121.633 121.223 0.050 0.000 2.017 313 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 313 L C 2.726 179.524 176.870 -0.120 0.000 1.073 313 L CA 3.119 57.942 54.840 -0.029 0.000 0.745 313 L CB -1.048 41.013 42.059 0.004 0.000 0.894 313 L HN 0.571 nan 8.230 nan 0.000 0.432 314 T N -3.783 110.716 114.554 -0.092 0.000 3.023 314 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 314 T C 1.768 176.431 174.700 -0.062 0.000 1.093 314 T CA 0.914 62.944 62.100 -0.116 0.000 1.129 314 T CB -0.595 68.201 68.868 -0.120 0.000 0.899 314 T HN 0.295 nan 8.240 nan 0.000 0.491 315 N N 2.235 120.925 118.700 -0.015 0.000 2.166 315 N HA 0.090 4.830 4.740 -0.000 0.000 0.186 315 N C 2.147 177.665 175.510 0.014 0.000 1.019 315 N CA 1.460 54.521 53.050 0.020 0.000 0.856 315 N CB -0.683 37.840 38.487 0.060 0.000 0.993 315 N HN 0.637 nan 8.380 nan 0.000 0.426 316 A N 0.241 123.059 122.820 -0.003 0.000 1.897 316 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 316 A C 2.303 179.920 177.584 0.055 0.000 1.181 316 A CA 2.006 54.056 52.037 0.020 0.000 0.620 316 A CB -0.952 18.042 19.000 -0.010 0.000 0.821 316 A HN 0.481 nan 8.150 nan 0.000 0.443 317 T N -3.239 111.275 114.554 -0.068 0.000 3.023 317 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 317 T C 1.865 176.658 174.700 0.155 0.000 1.093 317 T CA 1.184 63.271 62.100 -0.021 0.000 1.129 317 T CB -0.402 68.216 68.868 -0.417 0.000 0.899 317 T HN 0.303 nan 8.240 nan 0.000 0.491 318 M N 1.911 121.544 119.600 0.057 0.000 2.088 318 M HA -0.075 4.404 4.480 -0.000 0.000 0.256 318 M C -0.913 175.410 176.300 0.038 0.000 1.071 318 M CA 2.242 57.571 55.300 0.047 0.000 1.097 318 M CB -0.842 31.767 32.600 0.015 0.000 1.315 318 M HN 0.217 nan 8.290 nan 0.000 0.406 319 P HA -0.138 nan 4.420 nan 0.000 0.218 319 P C 0.762 177.957 177.300 -0.175 0.000 1.149 319 P CA 1.597 64.596 63.100 -0.168 0.000 0.817 319 P CB -0.376 31.120 31.700 -0.340 0.000 0.785 320 Y N -0.581 119.778 120.300 0.097 0.000 2.184 320 Y HA -0.119 4.431 4.550 -0.000 0.000 0.290 320 Y C 2.572 178.529 175.900 0.095 0.000 1.129 320 Y CA 0.560 58.729 58.100 0.115 0.000 1.144 320 Y CB -1.488 37.124 38.460 0.254 0.000 0.995 320 Y HN -0.299 nan 8.280 nan 0.000 0.513 321 V N 0.666 120.792 119.914 0.354 0.000 2.282 321 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 321 V C 2.261 178.385 176.094 0.051 0.000 1.057 321 V CA 1.964 64.392 62.300 0.213 0.000 1.032 321 V CB -0.875 31.061 31.823 0.188 0.000 0.645 321 V HN 0.411 nan 8.190 nan 0.000 0.447 322 L N -0.556 120.689 121.223 0.036 0.000 2.017 322 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 322 L C 2.758 179.617 176.870 -0.018 0.000 1.073 322 L CA 1.444 56.279 54.840 -0.008 0.000 0.745 322 L CB -0.730 41.334 42.059 0.008 0.000 0.894 322 L HN 0.318 nan 8.230 nan 0.000 0.432 323 E N 0.333 120.548 120.200 0.025 0.000 2.110 323 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 323 E C 2.371 179.002 176.600 0.052 0.000 0.988 323 E CA 1.076 57.530 56.400 0.089 0.000 0.804 323 E CB -0.303 29.455 29.700 0.096 0.000 0.745 323 E HN 0.483 nan 8.360 nan 0.000 0.458 324 L N 0.518 121.738 121.223 -0.005 0.000 2.046 324 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 324 L C 2.532 179.345 176.870 -0.095 0.000 1.077 324 L CA 1.262 56.074 54.840 -0.046 0.000 0.747 324 L CB -0.500 41.492 42.059 -0.112 0.000 0.896 324 L HN 0.066 nan 8.230 nan 0.000 0.432 325 A N -0.329 122.378 122.820 -0.189 0.000 1.873 325 A HA -0.207 4.113 4.320 -0.000 0.000 0.215 325 A C 1.951 179.326 177.584 -0.348 0.000 1.186 325 A CA 1.855 53.634 52.037 -0.430 0.000 0.616 325 A CB -0.485 18.044 19.000 -0.786 0.000 0.823 325 A HN 0.318 nan 8.150 nan 0.000 0.442 326 D N -1.160 119.096 120.400 -0.240 0.000 2.117 326 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 326 D C 1.322 177.347 176.300 -0.457 0.000 0.982 326 D CA 1.291 55.101 54.000 -0.316 0.000 0.828 326 D CB -0.174 40.254 40.800 -0.620 0.000 0.967 326 D HN 0.646 nan 8.370 nan 0.000 0.464 327 H N -1.524 117.540 119.070 -0.011 0.000 3.170 327 H HA 0.411 4.967 4.556 -0.000 0.000 0.264 327 H C 1.114 176.393 175.328 -0.081 0.000 1.113 327 H CA 0.608 56.632 56.048 -0.040 0.000 1.194 327 H CB 1.141 30.874 29.762 -0.049 0.000 1.553 327 H HN 0.094 nan 8.280 nan 0.000 0.538 328 G N 1.546 110.349 108.800 0.005 0.000 2.758 328 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.686 328 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.686 328 G C 0.874 175.731 174.900 -0.071 0.000 1.389 328 G CA -0.140 44.936 45.100 -0.041 0.000 0.845 328 G HN 0.440 nan 8.290 nan 0.000 0.572 329 W N 1.442 122.695 121.300 -0.078 0.000 2.374 329 W HA -0.062 4.598 4.660 -0.000 0.000 0.288 329 W C 1.840 178.299 176.519 -0.100 0.000 1.218 329 W CA 1.349 58.627 57.345 -0.111 0.000 1.245 329 W CB -0.498 28.880 29.460 -0.137 0.000 1.126 329 W HN 0.736 nan 8.180 nan 0.000 0.545 330 R N 1.232 121.068 120.500 -1.107 0.000 2.062 330 R HA -0.020 4.320 4.340 -0.000 0.000 0.226 330 R C 2.736 178.779 176.300 -0.428 0.000 1.125 330 R CA 1.770 57.256 56.100 -1.025 0.000 0.966 330 R CB -0.602 28.915 30.300 -1.304 0.000 0.861 330 R HN 0.130 nan 8.270 nan 0.000 0.433 331 A N 0.861 123.483 122.820 -0.329 0.000 1.877 331 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 331 A C 2.331 179.839 177.584 -0.127 0.000 1.186 331 A CA 1.708 53.632 52.037 -0.188 0.000 0.620 331 A CB -0.812 18.110 19.000 -0.130 0.000 0.822 331 A HN 0.505 nan 8.150 nan 0.000 0.443 332 A N -0.950 121.829 122.820 -0.069 0.000 1.908 332 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 332 A C 2.320 179.903 177.584 -0.002 0.000 1.181 332 A CA 1.842 53.873 52.037 -0.011 0.000 0.627 332 A CB -1.310 17.711 19.000 0.035 0.000 0.818 332 A HN 0.615 nan 8.150 nan 0.000 0.445 333 C N -1.168 118.133 119.300 0.001 0.000 2.440 333 C HA -0.024 4.436 4.460 -0.000 0.000 0.278 333 C C 2.837 177.829 174.990 0.004 0.000 1.295 333 C CA 0.829 59.868 59.018 0.035 0.000 1.738 333 C CB -1.268 26.536 27.740 0.108 0.000 1.987 333 C HN 0.579 nan 8.230 nan 0.000 0.492 334 R N 0.916 121.388 120.500 -0.046 0.000 2.091 334 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 334 R C 2.227 178.503 176.300 -0.041 0.000 1.136 334 R CA 1.754 57.824 56.100 -0.051 0.000 0.959 334 R CB -0.508 29.739 30.300 -0.088 0.000 0.856 334 R HN 0.483 nan 8.270 nan 0.000 0.437 335 S N 0.383 116.051 115.700 -0.053 0.000 2.428 335 S HA -0.050 4.420 4.470 -0.000 0.000 0.230 335 S C 0.653 175.244 174.600 -0.015 0.000 1.014 335 S CA 0.494 58.663 58.200 -0.052 0.000 0.957 335 S CB -0.018 63.127 63.200 -0.091 0.000 0.784 335 S HN 0.220 nan 8.310 nan 0.000 0.499 336 N N 0.550 119.259 118.700 0.016 0.000 2.617 336 N HA 0.328 5.068 4.740 -0.000 0.000 0.263 336 N C -2.728 172.825 175.510 0.071 0.000 1.074 336 N CA -2.109 50.975 53.050 0.057 0.000 0.841 336 N CB 1.623 40.172 38.487 0.104 0.000 1.221 336 N HN -0.182 nan 8.380 nan 0.000 0.529 337 P HA -0.012 nan 4.420 nan 0.000 0.220 337 P C 0.901 178.241 177.300 0.068 0.000 1.148 337 P CA 0.803 63.936 63.100 0.055 0.000 0.803 337 P CB 0.376 32.102 31.700 0.043 0.000 0.782 338 A N -0.106 122.770 122.820 0.094 0.000 1.877 338 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 338 A C 2.206 179.827 177.584 0.062 0.000 1.186 338 A CA 1.241 53.336 52.037 0.096 0.000 0.620 338 A CB -1.642 17.453 19.000 0.158 0.000 0.822 338 A HN 0.140 nan 8.150 nan 0.000 0.443 339 L N -0.681 120.606 121.223 0.105 0.000 2.042 339 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 339 L C 2.902 179.787 176.870 0.026 0.000 1.076 339 L CA 1.566 56.429 54.840 0.038 0.000 0.749 339 L CB -0.544 41.600 42.059 0.141 0.000 0.893 339 L HN 0.458 nan 8.230 nan 0.000 0.432 340 A N -0.309 122.543 122.820 0.053 0.000 1.972 340 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 340 A C 2.152 179.765 177.584 0.048 0.000 1.169 340 A CA 1.472 53.544 52.037 0.058 0.000 0.635 340 A CB -0.365 18.672 19.000 0.062 0.000 0.810 340 A HN 0.392 nan 8.150 nan 0.000 0.446 341 K N -0.759 119.666 120.400 0.041 0.000 2.360 341 K HA -0.104 4.216 4.320 -0.000 0.000 0.201 341 K C 1.744 178.361 176.600 0.028 0.000 1.046 341 K CA 0.938 57.247 56.287 0.036 0.000 0.945 341 K CB -0.280 32.240 32.500 0.034 0.000 0.750 341 K HN 0.496 nan 8.250 nan 0.000 0.464 342 G N 0.954 109.767 108.800 0.021 0.000 2.880 342 G HA2 0.004 3.964 3.960 -0.000 0.000 0.209 342 G HA3 0.004 3.964 3.960 -0.000 0.000 0.209 342 G C 0.522 175.429 174.900 0.012 0.000 1.157 342 G CA -0.300 44.815 45.100 0.025 0.000 0.779 342 G HN 0.074 nan 8.290 nan 0.000 0.539 343 L N 1.371 122.599 121.223 0.008 0.000 2.540 343 L HA 0.094 4.434 4.340 -0.000 0.000 0.276 343 L C 1.252 178.114 176.870 -0.012 0.000 1.212 343 L CA -0.184 54.645 54.840 -0.020 0.000 0.893 343 L CB 1.319 43.379 42.059 0.000 0.000 1.138 343 L HN 0.087 nan 8.230 nan 0.000 0.491 344 S N -0.346 115.329 115.700 -0.043 0.000 2.891 344 S HA 0.139 4.609 4.470 -0.000 0.000 0.247 344 S C 0.308 174.895 174.600 -0.021 0.000 1.063 344 S CA 0.363 58.550 58.200 -0.022 0.000 0.857 344 S CB 0.881 64.063 63.200 -0.030 0.000 0.800 344 S HN 0.822 nan 8.310 nan 0.000 0.540 345 T N -0.258 114.260 114.554 -0.060 0.000 2.896 345 T HA 0.714 5.064 4.350 -0.000 0.000 0.297 345 T C -1.451 173.203 174.700 -0.076 0.000 1.108 345 T CA -0.547 61.523 62.100 -0.050 0.000 1.004 345 T CB 2.228 71.063 68.868 -0.055 0.000 1.159 345 T HN 0.288 nan 8.240 nan 0.000 0.499 346 H N -0.044 118.918 119.070 -0.180 0.000 3.128 346 H HA 0.349 4.905 4.556 -0.000 0.000 0.336 346 H C -0.566 174.700 175.328 -0.103 0.000 1.026 346 H CA -0.220 55.684 56.048 -0.239 0.000 1.376 346 H CB 0.978 30.529 29.762 -0.353 0.000 1.882 346 H HN 0.984 nan 8.280 nan 0.000 0.479 347 E N 3.724 123.607 120.200 -0.528 0.000 2.328 347 E HA -0.270 4.080 4.350 -0.000 0.000 0.233 347 E C 0.886 177.399 176.600 -0.145 0.000 1.219 347 E CA 1.105 57.308 56.400 -0.329 0.000 0.717 347 E CB -1.332 28.090 29.700 -0.463 0.000 1.210 347 E HN 1.198 nan 8.360 nan 0.000 0.381 348 G N -1.669 107.071 108.800 -0.100 0.000 2.213 348 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.236 348 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.236 348 G C 0.255 175.132 174.900 -0.038 0.000 0.991 348 G CA 0.075 45.140 45.100 -0.058 0.000 0.629 348 G HN 0.974 nan 8.290 nan 0.000 0.517 349 A N 0.529 123.331 122.820 -0.031 0.000 2.305 349 A HA 0.780 5.100 4.320 -0.000 0.000 0.322 349 A C 0.137 177.732 177.584 0.018 0.000 1.187 349 A CA -0.449 51.587 52.037 -0.001 0.000 0.825 349 A CB 1.077 20.083 19.000 0.010 0.000 1.164 349 A HN 0.901 nan 8.150 nan 0.000 0.498 350 L N 3.343 124.594 121.223 0.046 0.000 2.290 350 L HA 0.315 4.655 4.340 -0.000 0.000 0.284 350 L C -0.045 176.925 176.870 0.167 0.000 1.078 350 L CA -0.264 54.628 54.840 0.086 0.000 0.815 350 L CB 0.917 43.038 42.059 0.102 0.000 1.162 350 L HN 0.835 nan 8.230 nan 0.000 0.435 351 L N 3.266 124.578 121.223 0.148 0.000 2.693 351 L HA 0.176 4.516 4.340 -0.000 0.000 0.235 351 L C 0.684 177.725 176.870 0.285 0.000 1.127 351 L CA 0.137 55.099 54.840 0.202 0.000 0.914 351 L CB 0.482 42.595 42.059 0.090 0.000 1.193 351 L HN 0.505 nan 8.230 nan 0.000 0.502 352 S N 0.032 115.846 115.700 0.190 0.000 2.474 352 S HA 0.149 4.619 4.470 -0.000 0.000 0.321 352 S C 0.902 175.360 174.600 -0.236 0.000 1.080 352 S CA -0.599 57.615 58.200 0.024 0.000 1.106 352 S CB 1.508 64.703 63.200 -0.009 0.000 0.984 352 S HN 0.322 nan 8.310 nan 0.000 0.464 353 E N 4.026 123.850 120.200 -0.627 0.000 2.106 353 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 353 E C 1.999 178.306 176.600 -0.489 0.000 0.984 353 E CA 0.705 56.414 56.400 -1.151 0.000 0.806 353 E CB 0.007 29.008 29.700 -1.165 0.000 0.750 353 E HN 0.761 nan 8.360 nan 0.000 0.458 354 R N 0.070 120.408 120.500 -0.271 0.000 2.092 354 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 354 R C 2.137 178.371 176.300 -0.110 0.000 1.119 354 R CA 1.137 57.146 56.100 -0.152 0.000 0.970 354 R CB 0.086 30.333 30.300 -0.089 0.000 0.864 354 R HN 0.102 nan 8.270 nan 0.000 0.440 355 V N 0.789 120.644 119.914 -0.099 0.000 2.346 355 V HA -0.118 4.002 4.120 -0.000 0.000 0.244 355 V C 2.474 178.538 176.094 -0.051 0.000 1.037 355 V CA 1.645 63.915 62.300 -0.051 0.000 1.029 355 V CB -0.565 31.243 31.823 -0.026 0.000 0.663 355 V HN 0.479 nan 8.190 nan 0.000 0.454 356 A N 0.945 123.719 122.820 -0.076 0.000 1.917 356 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 356 A C 2.486 180.043 177.584 -0.046 0.000 1.182 356 A CA 2.957 54.971 52.037 -0.039 0.000 0.633 356 A CB -1.015 17.972 19.000 -0.022 0.000 0.819 356 A HN 0.646 nan 8.150 nan 0.000 0.448 357 T N -3.582 110.918 114.554 -0.091 0.000 3.014 357 T HA -0.049 4.301 4.350 -0.000 0.000 0.263 357 T C 1.326 176.003 174.700 -0.038 0.000 1.078 357 T CA 1.267 63.331 62.100 -0.060 0.000 1.135 357 T CB -0.285 68.535 68.868 -0.080 0.000 0.895 357 T HN 0.302 nan 8.240 nan 0.000 0.480 358 D N 1.374 121.750 120.400 -0.040 0.000 2.178 358 D HA 0.070 4.710 4.640 -0.000 0.000 0.202 358 D C 1.675 177.967 176.300 -0.013 0.000 0.974 358 D CA 0.794 54.781 54.000 -0.023 0.000 0.841 358 D CB -0.029 40.759 40.800 -0.020 0.000 0.953 358 D HN 0.430 nan 8.370 nan 0.000 0.478 359 L N -0.847 120.369 121.223 -0.012 0.000 2.640 359 L HA 0.263 4.603 4.340 -0.000 0.000 0.230 359 L C 1.037 177.907 176.870 -0.001 0.000 1.123 359 L CA -0.017 54.820 54.840 -0.005 0.000 0.900 359 L CB 0.314 42.372 42.059 -0.002 0.000 1.146 359 L HN -0.033 nan 8.230 nan 0.000 0.484 360 G N 1.431 110.231 108.800 -0.001 0.000 2.338 360 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.296 360 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.296 360 G C -0.288 174.621 174.900 0.015 0.000 1.040 360 G CA 0.342 45.446 45.100 0.006 0.000 1.004 360 G HN 0.153 nan 8.290 nan 0.000 0.509 361 V N 1.004 120.932 119.914 0.023 0.000 3.001 361 V HA 0.741 4.861 4.120 -0.000 0.000 0.314 361 V C -1.586 174.549 176.094 0.068 0.000 1.099 361 V CA -1.501 60.820 62.300 0.035 0.000 0.989 361 V CB 2.362 34.200 31.823 0.025 0.000 1.040 361 V HN 0.284 nan 8.190 nan 0.000 0.434 362 P HA 0.256 nan 4.420 nan 0.000 0.272 362 P C -1.406 176.003 177.300 0.182 0.000 1.240 362 P CA -0.008 63.155 63.100 0.106 0.000 0.791 362 P CB 0.584 32.317 31.700 0.056 0.000 0.978 363 F N -0.399 119.553 119.950 0.002 0.000 2.573 363 F HA 0.409 4.936 4.527 -0.000 0.000 0.316 363 F C -1.303 174.503 175.800 0.010 0.000 1.148 363 F CA -0.442 57.561 58.000 0.004 0.000 0.940 363 F CB 1.470 40.474 39.000 0.005 0.000 1.214 363 F HN 0.083 nan 8.300 nan 0.000 0.448 364 T N 4.415 118.715 114.554 -0.423 0.000 2.749 364 T HA 0.225 4.575 4.350 -0.000 0.000 0.287 364 T C -0.561 173.694 174.700 -0.742 0.000 0.970 364 T CA -0.363 61.418 62.100 -0.532 0.000 0.980 364 T CB 0.996 69.758 68.868 -0.177 0.000 0.924 364 T HN 0.634 nan 8.240 nan 0.000 0.456 365 E N 4.713 124.426 120.200 -0.813 0.000 2.493 365 E HA 0.056 4.406 4.350 -0.000 0.000 0.255 365 E C -1.598 174.949 176.600 -0.089 0.000 0.999 365 E CA -1.627 54.533 56.400 -0.399 0.000 0.934 365 E CB 0.673 30.234 29.700 -0.232 0.000 0.940 365 E HN 0.225 nan 8.360 nan 0.000 0.473 366 P HA -0.265 nan 4.420 nan 0.000 0.217 366 P C 0.628 177.963 177.300 0.057 0.000 1.151 366 P CA 1.977 65.124 63.100 0.080 0.000 0.849 366 P CB 0.122 31.891 31.700 0.114 0.000 0.787 367 A N -0.982 121.863 122.820 0.041 0.000 2.070 367 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 367 A C 2.334 179.927 177.584 0.015 0.000 1.159 367 A CA 1.792 53.846 52.037 0.028 0.000 0.656 367 A CB -1.466 17.548 19.000 0.024 0.000 0.800 367 A HN 0.120 nan 8.150 nan 0.000 0.453 368 S N -0.465 115.234 115.700 -0.002 0.000 2.365 368 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 368 S C 1.695 176.315 174.600 0.034 0.000 1.039 368 S CA 1.866 60.065 58.200 -0.002 0.000 1.033 368 S CB -0.356 62.827 63.200 -0.028 0.000 0.887 368 S HN 0.453 nan 8.310 nan 0.000 0.447 369 V N 0.899 120.852 119.914 0.066 0.000 3.506 369 V HA 0.229 4.349 4.120 -0.000 0.000 0.263 369 V C 0.828 176.977 176.094 0.091 0.000 1.203 369 V CA 0.403 62.775 62.300 0.121 0.000 1.133 369 V CB -0.741 31.189 31.823 0.179 0.000 0.802 369 V HN 0.247 nan 8.190 nan 0.000 0.459 370 L N 0.000 121.253 121.223 0.049 0.000 2.949 370 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 370 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 370 L CB 0.000 42.066 42.059 0.011 0.000 0.961 370 L HN 0.000 nan 8.230 nan 0.000 0.502