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 1je1_1_D DATA FIRST_RESID 3 DATA SEQUENCE PVHILAKKGE VAERVLVVGD PGRARLLSTL LQNPKLTNEN RGFLVYTGKY DATA SEQUENCE NGETVSIATH GIGGPSIAIV LEELAMLGAN VFIRYGTTGA LVPYINLGEY DATA SEQUENCE IIVTGASYNQ GGLFYQYLRD NACVASTPDF ELTNKLVTSF SKRNLKYYVG DATA SEQUENCE NVFSSDAFYA EDEEFVKKWS SRGNIAVEME CATLFTLSKV KGWKSATVLV DATA SEQUENCE VSDNLAKXXX WITKEELEKS VMDGAKAVLD TLTS 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.299 177.300 -0.001 0.000 1.155 3 P CA 0.000 63.117 63.100 0.029 0.000 0.800 3 P CB 0.000 31.717 31.700 0.028 0.000 0.726 4 V N -2.501 117.398 119.914 -0.026 0.000 3.528 4 V HA 0.215 4.335 4.120 -0.000 0.000 0.294 4 V C 0.764 176.685 176.094 -0.290 0.000 1.404 4 V CA 0.926 63.128 62.300 -0.163 0.000 1.065 4 V CB -0.541 31.140 31.823 -0.237 0.000 0.904 4 V HN 0.604 nan 8.190 nan 0.000 0.435 5 H N 0.683 119.732 119.070 -0.035 0.000 2.393 5 H HA 0.496 5.052 4.556 -0.000 0.000 0.301 5 H C 0.685 176.002 175.328 -0.019 0.000 1.019 5 H CA 0.445 56.472 56.048 -0.034 0.000 1.311 5 H CB 0.404 30.076 29.762 -0.151 0.000 1.475 5 H HN 0.317 nan 8.280 nan 0.000 0.572 6 I N 2.901 123.515 120.570 0.074 0.000 2.287 6 I HA 0.079 4.249 4.170 -0.000 0.000 0.290 6 I C -0.336 175.794 176.117 0.021 0.000 1.069 6 I CA 0.012 61.332 61.300 0.033 0.000 1.237 6 I CB 0.990 38.983 38.000 -0.011 0.000 1.418 6 I HN 0.160 nan 8.210 nan 0.000 0.481 7 L N 6.950 128.185 121.223 0.020 0.000 2.934 7 L HA 0.442 4.782 4.340 -0.000 0.000 0.233 7 L C 0.749 177.618 176.870 -0.002 0.000 1.358 7 L CA -0.203 54.640 54.840 0.005 0.000 1.233 7 L CB -0.493 41.567 42.059 0.002 0.000 1.594 7 L HN 0.604 nan 8.230 nan 0.000 0.439 8 A N 0.543 123.362 122.820 -0.002 0.000 2.306 8 A HA 0.622 4.942 4.320 -0.000 0.000 0.330 8 A C -0.031 177.551 177.584 -0.004 0.000 1.146 8 A CA -0.641 51.392 52.037 -0.007 0.000 0.827 8 A CB 0.926 19.921 19.000 -0.009 0.000 1.178 8 A HN 0.339 nan 8.150 nan 0.000 0.490 9 K N 1.163 121.561 120.400 -0.004 0.000 2.154 9 K HA 0.223 4.543 4.320 -0.000 0.000 0.264 9 K C -0.012 176.587 176.600 -0.001 0.000 1.008 9 K CA -0.529 55.757 56.287 -0.002 0.000 0.937 9 K CB 1.025 33.524 32.500 -0.002 0.000 1.002 9 K HN 0.685 nan 8.250 nan 0.000 0.469 10 K N 0.643 121.044 120.400 0.001 0.000 2.448 10 K HA -0.039 4.281 4.320 -0.000 0.000 0.278 10 K C 0.630 177.230 176.600 -0.001 0.000 1.009 10 K CA 1.144 57.431 56.287 0.000 0.000 0.995 10 K CB 0.126 32.628 32.500 0.004 0.000 0.917 10 K HN 0.829 nan 8.250 nan 0.000 0.481 11 G N 3.448 112.246 108.800 -0.003 0.000 2.238 11 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 11 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 11 G C 0.522 175.421 174.900 -0.002 0.000 0.996 11 G CA 0.215 45.313 45.100 -0.003 0.000 0.632 11 G HN 0.733 nan 8.290 nan 0.000 0.503 12 E N -0.431 119.767 120.200 -0.003 0.000 2.476 12 E HA 0.340 4.690 4.350 -0.000 0.000 0.199 12 E C 0.162 176.761 176.600 -0.001 0.000 1.021 12 E CA 0.261 56.661 56.400 -0.001 0.000 0.907 12 E CB 1.238 30.936 29.700 -0.003 0.000 0.974 12 E HN 0.305 nan 8.360 nan 0.000 0.489 13 V N 1.750 121.660 119.914 -0.007 0.000 2.417 13 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 13 V C 0.145 176.223 176.094 -0.026 0.000 1.024 13 V CA -0.770 61.523 62.300 -0.012 0.000 0.861 13 V CB 1.356 33.170 31.823 -0.013 0.000 0.985 13 V HN 0.131 nan 8.190 nan 0.000 0.436 14 A N 3.355 126.156 122.820 -0.032 0.000 2.313 14 A HA 0.420 4.740 4.320 -0.000 0.000 0.261 14 A C 1.001 178.526 177.584 -0.099 0.000 1.090 14 A CA -0.171 51.837 52.037 -0.050 0.000 0.807 14 A CB 0.264 19.241 19.000 -0.038 0.000 1.055 14 A HN 0.923 nan 8.150 nan 0.000 0.492 15 E N -0.092 120.045 120.200 -0.105 0.000 2.152 15 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 15 E C 0.098 176.556 176.600 -0.237 0.000 0.983 15 E CA 0.734 57.040 56.400 -0.156 0.000 0.818 15 E CB 0.055 29.692 29.700 -0.105 0.000 0.758 15 E HN 0.527 nan 8.360 nan 0.000 0.467 16 R N 0.955 121.352 120.500 -0.171 0.000 2.229 16 R HA 0.358 4.698 4.340 -0.000 0.000 0.328 16 R C -1.057 175.149 176.300 -0.157 0.000 1.009 16 R CA -0.321 55.674 56.100 -0.176 0.000 0.864 16 R CB 1.767 32.008 30.300 -0.099 0.000 1.085 16 R HN -0.141 nan 8.270 nan 0.000 0.453 17 V N 4.618 124.419 119.914 -0.189 0.000 2.709 17 V HA 0.338 4.458 4.120 -0.000 0.000 0.308 17 V C -0.556 175.565 176.094 0.044 0.000 1.062 17 V CA -0.917 61.351 62.300 -0.054 0.000 0.901 17 V CB 2.220 34.047 31.823 0.007 0.000 1.003 17 V HN 0.632 nan 8.190 nan 0.000 0.425 18 L N 6.110 127.368 121.223 0.058 0.000 2.262 18 L HA 0.713 5.053 4.340 -0.000 0.000 0.288 18 L C -0.377 176.578 176.870 0.142 0.000 1.035 18 L CA -0.569 54.321 54.840 0.082 0.000 0.820 18 L CB 1.337 43.405 42.059 0.014 0.000 1.204 18 L HN 0.687 nan 8.230 nan 0.000 0.424 19 V N 4.530 124.563 119.914 0.198 0.000 2.427 19 V HA 0.761 4.881 4.120 -0.000 0.000 0.286 19 V C -0.258 175.954 176.094 0.196 0.000 1.034 19 V CA -0.462 61.969 62.300 0.218 0.000 0.893 19 V CB 1.408 33.397 31.823 0.277 0.000 0.982 19 V HN 0.553 nan 8.190 nan 0.000 0.452 20 V N 1.985 121.914 119.914 0.025 0.000 2.914 20 V HA 0.908 5.028 4.120 -0.000 0.000 0.314 20 V C 0.947 176.659 176.094 -0.637 0.000 1.084 20 V CA 0.238 62.449 62.300 -0.148 0.000 0.963 20 V CB 1.465 33.272 31.823 -0.027 0.000 1.025 20 V HN 0.986 nan 8.190 nan 0.000 0.432 21 G N 0.729 109.128 108.800 -0.668 0.000 2.408 21 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.215 21 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.215 21 G C 0.370 175.103 174.900 -0.278 0.000 1.156 21 G CA 0.795 45.495 45.100 -0.668 0.000 0.793 21 G HN 0.821 nan 8.290 nan 0.000 0.535 22 D N 0.299 120.591 120.400 -0.179 0.000 2.316 22 D HA 0.295 4.935 4.640 -0.000 0.000 0.245 22 D C -1.407 174.851 176.300 -0.070 0.000 1.171 22 D CA -2.414 51.521 54.000 -0.108 0.000 0.856 22 D CB 1.916 42.667 40.800 -0.081 0.000 1.090 22 D HN -0.062 nan 8.370 nan 0.000 0.476 23 P HA -0.069 nan 4.420 nan 0.000 0.216 23 P C 1.282 178.595 177.300 0.022 0.000 1.150 23 P CA 1.159 64.248 63.100 -0.019 0.000 0.843 23 P CB 0.229 31.896 31.700 -0.056 0.000 0.787 24 G N -0.335 108.462 108.800 -0.005 0.000 2.422 24 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 24 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 24 G C 1.747 176.649 174.900 0.005 0.000 1.146 24 G CA 0.497 45.599 45.100 0.004 0.000 0.769 24 G HN 0.227 nan 8.290 nan 0.000 0.547 25 R N 0.399 120.897 120.500 -0.002 0.000 2.092 25 R HA 0.097 4.437 4.340 -0.000 0.000 0.231 25 R C 2.859 179.170 176.300 0.018 0.000 1.119 25 R CA 1.259 57.362 56.100 0.005 0.000 0.970 25 R CB -0.312 29.984 30.300 -0.007 0.000 0.864 25 R HN 0.273 nan 8.270 nan 0.000 0.440 26 A N 1.213 124.059 122.820 0.042 0.000 1.877 26 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 26 A C 2.179 179.742 177.584 -0.034 0.000 1.186 26 A CA 1.615 53.703 52.037 0.085 0.000 0.620 26 A CB -0.577 18.546 19.000 0.204 0.000 0.822 26 A HN 0.409 nan 8.150 nan 0.000 0.443 27 R N -0.879 119.621 120.500 0.001 0.000 2.081 27 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 27 R C 2.043 178.212 176.300 -0.219 0.000 1.131 27 R CA 1.647 57.635 56.100 -0.187 0.000 0.960 27 R CB -0.429 29.892 30.300 0.036 0.000 0.856 27 R HN 0.415 nan 8.270 nan 0.000 0.436 28 L N 0.909 122.075 121.223 -0.094 0.000 2.017 28 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 28 L C 1.935 178.757 176.870 -0.079 0.000 1.073 28 L CA 1.680 56.480 54.840 -0.066 0.000 0.745 28 L CB -0.280 41.768 42.059 -0.018 0.000 0.894 28 L HN 0.258 nan 8.230 nan 0.000 0.432 29 L N -0.665 120.517 121.223 -0.069 0.000 2.376 29 L HA -0.095 4.245 4.340 -0.000 0.000 0.219 29 L C 2.540 179.339 176.870 -0.119 0.000 1.133 29 L CA 0.991 55.797 54.840 -0.056 0.000 0.816 29 L CB -0.726 41.334 42.059 0.000 0.000 0.933 29 L HN 0.497 nan 8.230 nan 0.000 0.449 30 S N -0.996 114.555 115.700 -0.249 0.000 2.442 30 S HA -0.168 4.302 4.470 -0.000 0.000 0.236 30 S C 1.956 176.446 174.600 -0.182 0.000 1.007 30 S CA 1.325 59.334 58.200 -0.319 0.000 0.965 30 S CB -0.839 61.848 63.200 -0.855 0.000 0.773 30 S HN 0.573 nan 8.310 nan 0.000 0.504 31 T N -0.143 114.325 114.554 -0.143 0.000 3.155 31 T HA 0.209 4.559 4.350 -0.000 0.000 0.264 31 T C 1.415 176.102 174.700 -0.022 0.000 1.160 31 T CA 0.487 62.544 62.100 -0.072 0.000 1.075 31 T CB -0.603 68.232 68.868 -0.056 0.000 0.921 31 T HN 0.453 nan 8.240 nan 0.000 0.533 32 L N -0.260 120.957 121.223 -0.010 0.000 2.529 32 L HA 0.406 4.746 4.340 -0.000 0.000 0.223 32 L C 0.800 177.751 176.870 0.135 0.000 1.113 32 L CA -0.018 54.857 54.840 0.058 0.000 0.861 32 L CB -0.105 41.976 42.059 0.036 0.000 1.012 32 L HN 0.262 nan 8.230 nan 0.000 0.461 33 L N -0.296 120.972 121.223 0.075 0.000 2.399 33 L HA 0.256 4.595 4.340 -0.000 0.000 0.265 33 L C 0.062 176.973 176.870 0.068 0.000 1.089 33 L CA -0.453 54.454 54.840 0.111 0.000 0.802 33 L CB 0.786 42.883 42.059 0.063 0.000 1.180 33 L HN 0.059 nan 8.230 nan 0.000 0.454 34 Q N 1.302 121.140 119.800 0.064 0.000 2.256 34 Q HA 0.147 4.487 4.340 -0.000 0.000 0.254 34 Q C -0.138 175.881 176.000 0.031 0.000 0.916 34 Q CA -0.244 55.576 55.803 0.028 0.000 0.932 34 Q CB 0.863 29.605 28.738 0.008 0.000 1.207 34 Q HN 0.561 nan 8.270 nan 0.000 0.426 35 N N 1.900 120.614 118.700 0.024 0.000 2.714 35 N HA -0.135 4.605 4.740 -0.000 0.000 0.253 35 N C -2.448 173.090 175.510 0.047 0.000 1.024 35 N CA -0.689 52.379 53.050 0.030 0.000 0.726 35 N CB -0.165 38.336 38.487 0.024 0.000 0.908 35 N HN 0.332 nan 8.380 nan 0.000 0.542 36 P HA 0.112 nan 4.420 nan 0.000 0.268 36 P C -0.653 176.727 177.300 0.133 0.000 1.204 36 P CA 0.499 63.654 63.100 0.092 0.000 0.768 36 P CB 0.663 32.393 31.700 0.050 0.000 0.842 37 K N 2.507 123.005 120.400 0.163 0.000 2.378 37 K HA 0.386 4.706 4.320 -0.000 0.000 0.252 37 K C -0.654 176.019 176.600 0.122 0.000 0.931 37 K CA -0.852 55.511 56.287 0.128 0.000 0.794 37 K CB 2.161 34.700 32.500 0.065 0.000 1.181 37 K HN 0.455 nan 8.250 nan 0.000 0.425 38 L N 3.567 124.813 121.223 0.038 0.000 2.325 38 L HA 0.109 4.449 4.340 -0.000 0.000 0.284 38 L C 0.911 177.698 176.870 -0.140 0.000 1.089 38 L CA 0.233 54.944 54.840 -0.215 0.000 0.836 38 L CB 0.442 42.366 42.059 -0.225 0.000 1.184 38 L HN 0.804 nan 8.230 nan 0.000 0.444 39 T N 0.378 114.845 114.554 -0.144 0.000 3.086 39 T HA 0.194 4.544 4.350 -0.000 0.000 0.250 39 T C 0.405 175.060 174.700 -0.075 0.000 1.074 39 T CA -0.211 61.844 62.100 -0.076 0.000 0.988 39 T CB -0.182 68.663 68.868 -0.038 0.000 0.988 39 T HN 0.593 nan 8.240 nan 0.000 0.530 40 N N 0.543 119.172 118.700 -0.118 0.000 2.710 40 N HA 0.229 4.969 4.740 -0.000 0.000 0.257 40 N C -0.418 175.040 175.510 -0.086 0.000 1.140 40 N CA -0.513 52.496 53.050 -0.068 0.000 0.953 40 N CB 1.552 40.028 38.487 -0.019 0.000 1.664 40 N HN 0.271 nan 8.380 nan 0.000 0.497 41 E N 0.764 120.942 120.200 -0.036 0.000 2.679 41 E HA 0.140 4.490 4.350 -0.000 0.000 0.221 41 E C -0.603 176.007 176.600 0.017 0.000 0.928 41 E CA -0.445 55.937 56.400 -0.031 0.000 1.296 41 E CB -0.092 29.577 29.700 -0.052 0.000 1.235 41 E HN 0.424 nan 8.360 nan 0.000 0.622 42 N N 2.264 120.993 118.700 0.049 0.000 2.356 42 N HA -0.058 4.682 4.740 -0.000 0.000 0.252 42 N C -0.041 175.566 175.510 0.161 0.000 1.241 42 N CA 0.758 53.855 53.050 0.078 0.000 0.861 42 N CB 0.251 38.782 38.487 0.074 0.000 1.075 42 N HN 0.259 nan 8.380 nan 0.000 0.461 43 R N 1.979 122.545 120.500 0.110 0.000 3.946 43 R HA -0.237 4.103 4.340 -0.000 0.000 0.329 43 R C 0.950 177.169 176.300 -0.135 0.000 1.209 43 R CA 0.852 57.016 56.100 0.107 0.000 0.909 43 R CB -1.980 28.547 30.300 0.378 0.000 1.355 43 R HN 1.017 nan 8.270 nan 0.000 0.539 44 G N -0.918 107.807 108.800 -0.125 0.000 2.179 44 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 44 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 44 G C 0.100 174.815 174.900 -0.308 0.000 0.977 44 G CA 0.274 45.224 45.100 -0.249 0.000 0.641 44 G HN 0.297 nan 8.290 nan 0.000 0.533 45 F N 2.178 122.123 119.950 -0.008 0.000 2.619 45 F HA 0.480 5.007 4.527 -0.000 0.000 0.350 45 F C 1.338 177.115 175.800 -0.038 0.000 1.259 45 F CA -0.557 57.435 58.000 -0.013 0.000 1.204 45 F CB 0.203 39.205 39.000 0.003 0.000 1.556 45 F HN -0.003 nan 8.300 nan 0.000 0.650 46 L N 3.164 124.418 121.223 0.051 0.000 2.499 46 L HA 0.214 4.554 4.340 -0.000 0.000 0.273 46 L C -0.094 176.749 176.870 -0.044 0.000 1.195 46 L CA -0.279 54.529 54.840 -0.052 0.000 0.882 46 L CB 0.173 42.220 42.059 -0.020 0.000 1.133 46 L HN 0.151 nan 8.230 nan 0.000 0.483 47 V N 3.997 123.801 119.914 -0.184 0.000 2.531 47 V HA 0.421 4.541 4.120 -0.000 0.000 0.301 47 V C -0.797 175.150 176.094 -0.244 0.000 1.034 47 V CA -0.615 61.630 62.300 -0.091 0.000 0.865 47 V CB 1.714 33.522 31.823 -0.024 0.000 0.995 47 V HN 0.402 nan 8.190 nan 0.000 0.424 48 Y N 1.546 121.864 120.300 0.029 0.000 2.468 48 Y HA 0.730 5.280 4.550 -0.000 0.000 0.342 48 Y C 0.503 176.413 175.900 0.016 0.000 1.021 48 Y CA -0.675 57.438 58.100 0.021 0.000 1.079 48 Y CB 2.553 41.025 38.460 0.019 0.000 1.226 48 Y HN 0.521 nan 8.280 nan 0.000 0.460 49 T N 1.674 116.328 114.554 0.167 0.000 2.879 49 T HA 0.733 5.083 4.350 -0.000 0.000 0.290 49 T C -0.157 174.598 174.700 0.091 0.000 0.993 49 T CA -0.761 61.397 62.100 0.097 0.000 0.975 49 T CB 1.510 70.408 68.868 0.051 0.000 0.981 49 T HN 0.979 nan 8.240 nan 0.000 0.439 50 G N 1.968 110.812 108.800 0.074 0.000 2.731 50 G HA2 0.688 4.648 3.960 -0.000 0.000 0.309 50 G HA3 0.688 4.648 3.960 -0.000 0.000 0.309 50 G C -1.770 173.167 174.900 0.062 0.000 1.273 50 G CA -0.797 44.342 45.100 0.065 0.000 0.798 50 G HN 0.556 nan 8.290 nan 0.000 0.509 51 K N -0.907 119.534 120.400 0.067 0.000 2.281 51 K HA 0.633 4.953 4.320 -0.000 0.000 0.242 51 K C -2.045 174.639 176.600 0.139 0.000 0.971 51 K CA -0.761 55.571 56.287 0.076 0.000 0.834 51 K CB 2.667 35.188 32.500 0.036 0.000 1.181 51 K HN 0.505 nan 8.250 nan 0.000 0.435 52 Y N 1.439 121.726 120.300 -0.023 0.000 2.348 52 Y HA 0.118 4.668 4.550 -0.000 0.000 0.321 52 Y C -0.962 174.918 175.900 -0.033 0.000 1.163 52 Y CA -0.728 57.353 58.100 -0.031 0.000 1.070 52 Y CB 1.136 39.574 38.460 -0.037 0.000 1.250 52 Y HN 0.726 nan 8.280 nan 0.000 0.425 53 N N 4.195 122.700 118.700 -0.325 0.000 2.714 53 N HA -0.199 4.541 4.740 -0.000 0.000 0.252 53 N C 0.905 176.379 175.510 -0.060 0.000 1.014 53 N CA 1.929 54.862 53.050 -0.194 0.000 0.735 53 N CB -1.059 37.352 38.487 -0.127 0.000 0.924 53 N HN 1.497 nan 8.380 nan 0.000 0.540 54 G N -1.562 107.206 108.800 -0.052 0.000 2.155 54 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.257 54 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.257 54 G C -0.054 174.846 174.900 0.001 0.000 0.983 54 G CA 0.965 46.050 45.100 -0.024 0.000 0.676 54 G HN 0.593 nan 8.290 nan 0.000 0.528 55 E N -0.280 119.935 120.200 0.025 0.000 2.312 55 E HA 0.691 5.041 4.350 -0.000 0.000 0.267 55 E C -0.061 176.564 176.600 0.041 0.000 0.894 55 E CA -0.316 56.103 56.400 0.031 0.000 0.773 55 E CB 1.247 30.970 29.700 0.039 0.000 1.241 55 E HN 0.062 nan 8.360 nan 0.000 0.432 56 T N 1.340 115.907 114.554 0.021 0.000 2.817 56 T HA 0.530 4.880 4.350 -0.000 0.000 0.293 56 T C -0.855 173.852 174.700 0.011 0.000 0.964 56 T CA -0.400 61.712 62.100 0.020 0.000 1.085 56 T CB 0.745 69.618 68.868 0.007 0.000 0.921 56 T HN 0.242 nan 8.240 nan 0.000 0.502 57 V N 2.570 122.495 119.914 0.019 0.000 3.087 57 V HA 0.738 4.858 4.120 -0.000 0.000 0.306 57 V C -1.041 175.061 176.094 0.012 0.000 1.187 57 V CA -0.489 61.810 62.300 -0.002 0.000 0.999 57 V CB 2.739 34.553 31.823 -0.014 0.000 1.049 57 V HN 0.888 nan 8.190 nan 0.000 0.431 58 S N 5.163 120.866 115.700 0.005 0.000 2.568 58 S HA 0.734 5.204 4.470 -0.000 0.000 0.302 58 S C -0.811 173.823 174.600 0.056 0.000 1.082 58 S CA -0.512 57.712 58.200 0.041 0.000 1.009 58 S CB 1.605 64.824 63.200 0.031 0.000 1.069 58 S HN 0.624 nan 8.310 nan 0.000 0.500 59 I N 2.218 122.852 120.570 0.107 0.000 2.382 59 I HA 0.592 4.762 4.170 -0.000 0.000 0.286 59 I C -0.157 176.057 176.117 0.162 0.000 1.002 59 I CA -0.516 60.858 61.300 0.122 0.000 1.135 59 I CB 1.396 39.466 38.000 0.116 0.000 1.288 59 I HN 0.651 nan 8.210 nan 0.000 0.448 60 A N 4.280 127.182 122.820 0.136 0.000 2.374 60 A HA 0.801 5.121 4.320 -0.000 0.000 0.317 60 A C -0.301 177.354 177.584 0.118 0.000 1.094 60 A CA -0.510 51.604 52.037 0.129 0.000 0.765 60 A CB 1.401 20.469 19.000 0.113 0.000 1.268 60 A HN 0.571 nan 8.150 nan 0.000 0.438 61 T N 1.423 116.057 114.554 0.133 0.000 2.806 61 T HA 0.427 4.777 4.350 -0.000 0.000 0.290 61 T C 0.537 175.388 174.700 0.252 0.000 0.966 61 T CA 0.267 62.430 62.100 0.106 0.000 1.060 61 T CB 0.428 69.362 68.868 0.110 0.000 0.927 61 T HN 0.839 nan 8.240 nan 0.000 0.485 62 H N 0.272 119.459 119.070 0.196 0.000 2.893 62 H HA 0.548 5.104 4.556 -0.000 0.000 0.270 62 H C 0.990 176.476 175.328 0.263 0.000 1.095 62 H CA -0.254 55.902 56.048 0.180 0.000 1.186 62 H CB -0.275 29.492 29.762 0.008 0.000 1.562 62 H HN 0.937 nan 8.280 nan 0.000 0.536 63 G N 0.777 109.743 108.800 0.277 0.000 2.645 63 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 63 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 63 G C -0.514 174.517 174.900 0.219 0.000 1.322 63 G CA -0.108 45.107 45.100 0.191 0.000 0.898 63 G HN 0.410 nan 8.290 nan 0.000 0.573 64 I N 1.811 122.452 120.570 0.119 0.000 2.404 64 I HA 0.618 4.788 4.170 -0.000 0.000 0.293 64 I C 0.813 176.961 176.117 0.051 0.000 0.992 64 I CA 0.388 61.735 61.300 0.078 0.000 1.149 64 I CB 1.185 39.188 38.000 0.005 0.000 1.315 64 I HN 2.084 nan 8.210 nan 0.000 0.446 65 G N 3.569 112.378 108.800 0.016 0.000 2.629 65 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.686 65 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.686 65 G C 0.497 175.349 174.900 -0.081 0.000 1.232 65 G CA -0.441 44.643 45.100 -0.028 0.000 0.803 65 G HN 0.951 nan 8.290 nan 0.000 0.638 66 G N 0.576 109.311 108.800 -0.109 0.000 2.459 66 G HA2 0.011 3.971 3.960 -0.000 0.000 0.217 66 G HA3 0.011 3.971 3.960 -0.000 0.000 0.217 66 G C 0.155 174.963 174.900 -0.154 0.000 1.183 66 G CA 2.109 47.105 45.100 -0.173 0.000 0.776 66 G HN 0.703 nan 8.290 nan 0.000 0.552 67 P HA -0.092 nan 4.420 nan 0.000 0.216 67 P C 2.278 179.527 177.300 -0.085 0.000 1.150 67 P CA 1.789 64.843 63.100 -0.078 0.000 0.837 67 P CB -0.047 31.628 31.700 -0.042 0.000 0.786 68 S N -1.192 114.474 115.700 -0.056 0.000 2.345 68 S HA -0.104 4.366 4.470 -0.000 0.000 0.219 68 S C 1.854 176.389 174.600 -0.108 0.000 1.031 68 S CA 0.737 58.919 58.200 -0.030 0.000 0.984 68 S CB -0.960 62.307 63.200 0.111 0.000 0.874 68 S HN -0.007 nan 8.310 nan 0.000 0.451 69 I N 1.170 121.661 120.570 -0.131 0.000 2.394 69 I HA -0.110 4.060 4.170 -0.000 0.000 0.251 69 I C 2.323 178.292 176.117 -0.246 0.000 1.136 69 I CA 1.166 62.325 61.300 -0.235 0.000 1.425 69 I CB -0.444 37.280 38.000 -0.460 0.000 1.079 69 I HN 0.400 nan 8.210 nan 0.000 0.425 70 A N 1.045 123.746 122.820 -0.198 0.000 1.902 70 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 70 A C 2.214 179.728 177.584 -0.117 0.000 1.181 70 A CA 1.705 53.660 52.037 -0.137 0.000 0.623 70 A CB -0.815 18.153 19.000 -0.053 0.000 0.818 70 A HN 0.514 nan 8.150 nan 0.000 0.443 71 I N -0.592 119.864 120.570 -0.189 0.000 2.202 71 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 71 I C 2.371 178.298 176.117 -0.317 0.000 1.091 71 I CA 1.136 62.270 61.300 -0.276 0.000 1.368 71 I CB -0.247 37.454 38.000 -0.498 0.000 1.058 71 I HN 0.163 nan 8.210 nan 0.000 0.410 72 V N 1.065 120.751 119.914 -0.381 0.000 2.295 72 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 72 V C 2.368 178.285 176.094 -0.294 0.000 1.049 72 V CA 1.710 63.792 62.300 -0.362 0.000 1.024 72 V CB -0.525 31.104 31.823 -0.324 0.000 0.648 72 V HN 0.352 nan 8.190 nan 0.000 0.447 73 L N -0.505 120.501 121.223 -0.361 0.000 2.017 73 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 73 L C 2.755 179.368 176.870 -0.428 0.000 1.073 73 L CA 1.556 56.030 54.840 -0.610 0.000 0.745 73 L CB -0.746 40.911 42.059 -0.671 0.000 0.894 73 L HN 0.332 nan 8.230 nan 0.000 0.432 74 E N 0.292 120.428 120.200 -0.107 0.000 2.085 74 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 74 E C 2.056 178.670 176.600 0.024 0.000 0.994 74 E CA 1.437 57.896 56.400 0.098 0.000 0.801 74 E CB -0.126 29.656 29.700 0.138 0.000 0.743 74 E HN 0.605 nan 8.360 nan 0.000 0.453 75 E N 0.484 120.656 120.200 -0.046 0.000 2.107 75 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 75 E C 2.417 178.999 176.600 -0.030 0.000 0.982 75 E CA 0.388 56.773 56.400 -0.024 0.000 0.809 75 E CB -0.085 29.593 29.700 -0.035 0.000 0.756 75 E HN 0.208 nan 8.360 nan 0.000 0.459 76 L N 0.835 122.019 121.223 -0.065 0.000 2.046 76 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 76 L C 2.630 179.493 176.870 -0.012 0.000 1.077 76 L CA 1.045 55.876 54.840 -0.015 0.000 0.747 76 L CB -0.489 41.606 42.059 0.060 0.000 0.896 76 L HN 0.129 nan 8.230 nan 0.000 0.432 77 A N -0.227 122.560 122.820 -0.055 0.000 1.933 77 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 77 A C 2.264 179.881 177.584 0.055 0.000 1.175 77 A CA 1.657 53.669 52.037 -0.043 0.000 0.628 77 A CB -0.481 18.484 19.000 -0.059 0.000 0.814 77 A HN 0.365 nan 8.150 nan 0.000 0.444 78 M N -0.755 118.884 119.600 0.065 0.000 2.374 78 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 78 M C 1.140 177.462 176.300 0.037 0.000 1.067 78 M CA 0.989 56.329 55.300 0.067 0.000 1.103 78 M CB -0.232 32.405 32.600 0.062 0.000 1.402 78 M HN 0.298 nan 8.290 nan 0.000 0.444 79 L N -1.011 120.222 121.223 0.017 0.000 2.628 79 L HA 0.258 4.598 4.340 -0.000 0.000 0.229 79 L C 1.296 178.162 176.870 -0.007 0.000 1.137 79 L CA 0.175 55.018 54.840 0.005 0.000 0.909 79 L CB -0.005 42.053 42.059 -0.001 0.000 1.137 79 L HN 0.556 nan 8.230 nan 0.000 0.470 80 G N -0.471 108.324 108.800 -0.009 0.000 2.255 80 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.196 80 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.196 80 G C 0.396 175.247 174.900 -0.082 0.000 0.998 80 G CA -0.213 44.871 45.100 -0.027 0.000 0.656 80 G HN 0.376 nan 8.290 nan 0.000 0.490 81 A N 0.623 123.364 122.820 -0.132 0.000 2.425 81 A HA 0.614 4.934 4.320 -0.000 0.000 0.249 81 A C 0.856 178.175 177.584 -0.443 0.000 1.084 81 A CA 1.113 52.957 52.037 -0.322 0.000 0.781 81 A CB 0.162 18.945 19.000 -0.361 0.000 1.019 81 A HN 1.277 nan 8.150 nan 0.000 0.490 82 N N -0.316 118.056 118.700 -0.547 0.000 2.036 82 N HA 0.192 4.932 4.740 -0.000 0.000 0.228 82 N C -1.060 174.229 175.510 -0.368 0.000 1.368 82 N CA 0.036 52.879 53.050 -0.346 0.000 0.846 82 N CB 0.574 39.050 38.487 -0.018 0.000 1.145 82 N HN 0.251 nan 8.380 nan 0.000 0.502 83 V N 1.391 120.900 119.914 -0.675 0.000 2.483 83 V HA 0.564 4.684 4.120 -0.000 0.000 0.297 83 V C -1.538 174.179 176.094 -0.629 0.000 1.027 83 V CA -0.580 61.478 62.300 -0.404 0.000 0.855 83 V CB 1.075 32.774 31.823 -0.207 0.000 0.995 83 V HN 0.069 nan 8.190 nan 0.000 0.424 84 F N 4.839 124.794 119.950 0.007 0.000 2.547 84 F HA 0.673 5.200 4.527 -0.000 0.000 0.316 84 F C -0.119 175.715 175.800 0.058 0.000 1.121 84 F CA -0.639 57.364 58.000 0.004 0.000 0.911 84 F CB 1.965 40.951 39.000 -0.023 0.000 1.179 84 F HN 0.214 nan 8.300 nan 0.000 0.443 85 I N 3.366 124.075 120.570 0.232 0.000 2.439 85 I HA 0.359 4.529 4.170 -0.000 0.000 0.283 85 I C -0.293 175.949 176.117 0.209 0.000 1.023 85 I CA -0.688 60.725 61.300 0.189 0.000 1.100 85 I CB 1.810 39.873 38.000 0.106 0.000 1.238 85 I HN 0.589 nan 8.210 nan 0.000 0.445 86 R N 5.492 126.124 120.500 0.219 0.000 2.390 86 R HA 0.221 4.561 4.340 -0.000 0.000 0.291 86 R C -1.648 174.825 176.300 0.289 0.000 1.070 86 R CA -0.119 56.117 56.100 0.227 0.000 1.014 86 R CB 0.779 31.163 30.300 0.140 0.000 1.007 86 R HN 0.510 nan 8.270 nan 0.000 0.466 87 Y N 4.110 124.485 120.300 0.124 0.000 2.426 87 Y HA 0.491 5.041 4.550 -0.000 0.000 0.325 87 Y C -0.514 175.448 175.900 0.104 0.000 0.989 87 Y CA -0.577 57.591 58.100 0.113 0.000 1.284 87 Y CB 1.186 39.706 38.460 0.099 0.000 1.104 87 Y HN 0.799 nan 8.280 nan 0.000 0.481 88 G N 1.951 110.710 108.800 -0.069 0.000 3.262 88 G HA2 0.605 4.565 3.960 -0.000 0.000 0.229 88 G HA3 0.605 4.565 3.960 -0.000 0.000 0.229 88 G C -0.858 173.941 174.900 -0.169 0.000 1.280 88 G CA -0.522 44.507 45.100 -0.118 0.000 0.951 88 G HN 0.547 nan 8.290 nan 0.000 0.589 89 T N -3.256 111.248 114.554 -0.084 0.000 2.930 89 T HA 0.733 5.083 4.350 -0.000 0.000 0.290 89 T C -0.533 174.159 174.700 -0.013 0.000 1.052 89 T CA -0.591 61.473 62.100 -0.060 0.000 1.017 89 T CB 2.042 70.879 68.868 -0.050 0.000 1.137 89 T HN 0.865 nan 8.240 nan 0.000 0.511 90 T N -0.757 113.795 114.554 -0.004 0.000 2.802 90 T HA 0.655 5.005 4.350 -0.000 0.000 0.311 90 T C -0.767 173.935 174.700 0.003 0.000 1.405 90 T CA -0.371 61.734 62.100 0.008 0.000 1.016 90 T CB 1.340 70.214 68.868 0.009 0.000 1.352 90 T HN 1.197 nan 8.240 nan 0.000 0.498 91 G N 1.361 110.163 108.800 0.004 0.000 2.370 91 G HA2 0.647 4.607 3.960 -0.000 0.000 0.317 91 G HA3 0.647 4.607 3.960 -0.000 0.000 0.317 91 G C -0.001 174.885 174.900 -0.022 0.000 1.162 91 G CA -0.177 44.917 45.100 -0.010 0.000 0.922 91 G HN 0.980 nan 8.290 nan 0.000 0.454 92 A N 2.287 125.074 122.820 -0.055 0.000 2.425 92 A HA 0.472 4.792 4.320 -0.000 0.000 0.249 92 A C 0.996 178.530 177.584 -0.084 0.000 1.084 92 A CA -0.334 51.642 52.037 -0.101 0.000 0.781 92 A CB 0.428 19.324 19.000 -0.173 0.000 1.019 92 A HN 0.733 nan 8.150 nan 0.000 0.490 93 L N 2.218 123.385 121.223 -0.093 0.000 2.640 93 L HA 0.154 4.494 4.340 -0.000 0.000 0.230 93 L C -0.059 176.742 176.870 -0.116 0.000 1.123 93 L CA 0.085 54.889 54.840 -0.060 0.000 0.900 93 L CB -0.005 42.046 42.059 -0.012 0.000 1.146 93 L HN 0.647 nan 8.230 nan 0.000 0.484 94 V N -4.405 115.367 119.914 -0.236 0.000 2.680 94 V HA 0.442 4.562 4.120 -0.000 0.000 0.309 94 V C -1.925 173.942 176.094 -0.380 0.000 1.052 94 V CA -1.615 60.483 62.300 -0.336 0.000 0.908 94 V CB 1.594 33.057 31.823 -0.600 0.000 1.001 94 V HN -0.177 nan 8.190 nan 0.000 0.431 95 P HA -0.119 nan 4.420 nan 0.000 0.223 95 P C 1.174 178.409 177.300 -0.109 0.000 1.151 95 P CA 1.408 64.431 63.100 -0.129 0.000 0.787 95 P CB -0.063 31.624 31.700 -0.023 0.000 0.788 96 Y N -0.854 119.410 120.300 -0.060 0.000 2.583 96 Y HA 0.308 4.858 4.550 -0.000 0.000 0.293 96 Y C 0.991 176.831 175.900 -0.099 0.000 1.157 96 Y CA -0.993 57.079 58.100 -0.047 0.000 1.315 96 Y CB -1.294 37.162 38.460 -0.007 0.000 1.021 96 Y HN -0.222 nan 8.280 nan 0.000 0.536 97 I N 2.920 123.251 120.570 -0.398 0.000 2.342 97 I HA 0.144 4.314 4.170 -0.000 0.000 0.291 97 I C -0.395 175.622 176.117 -0.167 0.000 1.010 97 I CA -0.484 60.570 61.300 -0.410 0.000 1.308 97 I CB 0.636 38.194 38.000 -0.736 0.000 1.400 97 I HN 0.180 nan 8.210 nan 0.000 0.488 98 N N 6.414 125.092 118.700 -0.035 0.000 2.476 98 N HA 0.464 5.204 4.740 -0.000 0.000 0.275 98 N C -0.438 175.044 175.510 -0.047 0.000 1.190 98 N CA -0.663 52.371 53.050 -0.027 0.000 0.977 98 N CB 1.432 39.925 38.487 0.010 0.000 1.200 98 N HN 0.380 nan 8.380 nan 0.000 0.515 99 L N 0.357 121.545 121.223 -0.058 0.000 2.453 99 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 99 L C 1.621 178.439 176.870 -0.086 0.000 1.182 99 L CA 0.261 55.061 54.840 -0.066 0.000 0.858 99 L CB 0.071 42.099 42.059 -0.052 0.000 1.120 99 L HN 0.903 nan 8.230 nan 0.000 0.474 100 G N 1.409 110.137 108.800 -0.121 0.000 2.217 100 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.246 100 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.246 100 G C 0.253 174.925 174.900 -0.379 0.000 0.990 100 G CA -0.130 44.858 45.100 -0.186 0.000 0.627 100 G HN 0.642 nan 8.290 nan 0.000 0.522 101 E N -0.613 119.436 120.200 -0.252 0.000 2.342 101 E HA 0.583 4.933 4.350 -0.000 0.000 0.257 101 E C -0.475 175.933 176.600 -0.320 0.000 1.150 101 E CA -0.480 55.793 56.400 -0.212 0.000 0.926 101 E CB 0.575 30.367 29.700 0.153 0.000 1.074 101 E HN 0.393 nan 8.360 nan 0.000 0.449 102 Y N -0.355 120.120 120.300 0.293 0.000 2.549 102 Y HA 0.510 5.060 4.550 -0.000 0.000 0.339 102 Y C 0.033 176.084 175.900 0.252 0.000 1.053 102 Y CA -0.862 57.381 58.100 0.239 0.000 1.105 102 Y CB 1.182 39.772 38.460 0.216 0.000 1.258 102 Y HN 0.223 nan 8.280 nan 0.000 0.478 103 I N 3.275 124.027 120.570 0.304 0.000 2.447 103 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 103 I C -1.005 175.188 176.117 0.127 0.000 1.023 103 I CA -0.531 60.911 61.300 0.237 0.000 1.083 103 I CB 1.520 39.617 38.000 0.161 0.000 1.245 103 I HN 0.455 nan 8.210 nan 0.000 0.434 104 I N 6.891 127.514 120.570 0.088 0.000 2.304 104 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 104 I C -0.065 176.096 176.117 0.074 0.000 1.018 104 I CA -0.715 60.575 61.300 -0.018 0.000 1.260 104 I CB 1.390 39.294 38.000 -0.160 0.000 1.390 104 I HN 0.197 nan 8.210 nan 0.000 0.475 105 V N 5.653 125.635 119.914 0.113 0.000 2.555 105 V HA 0.057 4.177 4.120 -0.000 0.000 0.286 105 V C 1.260 177.422 176.094 0.114 0.000 1.044 105 V CA 0.074 62.478 62.300 0.174 0.000 1.026 105 V CB 0.987 32.995 31.823 0.308 0.000 0.981 105 V HN 0.918 nan 8.190 nan 0.000 0.480 106 T N 0.188 114.803 114.554 0.102 0.000 3.023 106 T HA 0.521 4.871 4.350 -0.000 0.000 0.253 106 T C 0.592 175.306 174.700 0.023 0.000 1.038 106 T CA 0.356 62.477 62.100 0.033 0.000 0.962 106 T CB 0.491 69.398 68.868 0.065 0.000 1.018 106 T HN 1.182 nan 8.240 nan 0.000 0.521 107 G N -0.064 108.818 108.800 0.137 0.000 2.387 107 G HA2 0.582 4.542 3.960 -0.000 0.000 0.294 107 G HA3 0.582 4.542 3.960 -0.000 0.000 0.294 107 G C -2.041 173.059 174.900 0.334 0.000 1.509 107 G CA -0.398 44.821 45.100 0.197 0.000 0.806 107 G HN 0.613 nan 8.290 nan 0.000 0.546 108 A N 0.244 123.285 122.820 0.368 0.000 2.374 108 A HA 0.882 5.202 4.320 -0.000 0.000 0.305 108 A C 0.077 177.836 177.584 0.292 0.000 1.053 108 A CA -0.330 51.876 52.037 0.281 0.000 0.726 108 A CB 1.644 20.763 19.000 0.198 0.000 1.229 108 A HN 1.244 nan 8.150 nan 0.000 0.431 109 S N 0.629 116.481 115.700 0.253 0.000 2.646 109 S HA 0.818 5.288 4.470 -0.000 0.000 0.276 109 S C -0.777 174.019 174.600 0.327 0.000 1.222 109 S CA -0.113 58.261 58.200 0.290 0.000 1.014 109 S CB 0.685 64.098 63.200 0.355 0.000 0.991 109 S HN 1.072 nan 8.310 nan 0.000 0.533 110 Y N -1.214 119.168 120.300 0.136 0.000 2.702 110 Y HA 0.514 5.064 4.550 -0.000 0.000 0.336 110 Y C -1.362 174.634 175.900 0.160 0.000 1.203 110 Y CA -1.347 56.786 58.100 0.055 0.000 1.072 110 Y CB 0.475 38.783 38.460 -0.254 0.000 1.327 110 Y HN 0.399 nan 8.280 nan 0.000 0.456 111 N N 2.513 121.403 118.700 0.316 0.000 2.455 111 N HA 0.177 4.917 4.740 -0.000 0.000 0.280 111 N C -0.446 175.197 175.510 0.221 0.000 1.055 111 N CA -0.486 52.702 53.050 0.230 0.000 0.961 111 N CB 1.442 40.128 38.487 0.331 0.000 1.121 111 N HN 0.610 nan 8.380 nan 0.000 0.476 112 Q N 0.596 120.460 119.800 0.106 0.000 2.651 112 Q HA 0.384 4.724 4.340 -0.000 0.000 0.224 112 Q C 0.808 176.975 176.000 0.279 0.000 1.094 112 Q CA 0.411 56.337 55.803 0.204 0.000 1.018 112 Q CB 0.450 29.260 28.738 0.120 0.000 1.292 112 Q HN 0.891 nan 8.270 nan 0.000 0.588 113 G N -1.494 107.506 108.800 0.334 0.000 2.373 113 G HA2 0.199 4.159 3.960 -0.000 0.000 0.634 113 G HA3 0.199 4.159 3.960 -0.000 0.000 0.634 113 G C 0.384 175.490 174.900 0.343 0.000 1.267 113 G CA -0.181 45.078 45.100 0.266 0.000 1.008 113 G HN 0.965 nan 8.290 nan 0.000 0.497 114 G N -0.321 108.617 108.800 0.229 0.000 2.738 114 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.391 114 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.391 114 G C 1.805 176.810 174.900 0.175 0.000 1.049 114 G CA 2.505 47.718 45.100 0.188 0.000 0.855 114 G HN 1.997 nan 8.290 nan 0.000 0.757 115 L N -0.405 120.844 121.223 0.044 0.000 2.021 115 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 115 L C 2.934 179.774 176.870 -0.050 0.000 1.074 115 L CA 2.803 57.588 54.840 -0.091 0.000 0.760 115 L CB -0.373 41.496 42.059 -0.317 0.000 0.889 115 L HN 0.475 nan 8.230 nan 0.000 0.433 116 F N -1.666 118.381 119.950 0.162 0.000 2.171 116 F HA -0.251 4.276 4.527 -0.000 0.000 0.300 116 F C 2.355 178.278 175.800 0.205 0.000 1.090 116 F CA 1.656 59.749 58.000 0.155 0.000 1.293 116 F CB -0.829 38.256 39.000 0.141 0.000 1.013 116 F HN 0.151 nan 8.300 nan 0.000 0.486 117 Y N 1.174 121.634 120.300 0.267 0.000 2.200 117 Y HA -0.208 4.342 4.550 -0.000 0.000 0.290 117 Y C 2.333 178.292 175.900 0.099 0.000 1.137 117 Y CA 1.531 59.733 58.100 0.169 0.000 1.163 117 Y CB -0.672 37.869 38.460 0.135 0.000 0.988 117 Y HN 0.092 nan 8.280 nan 0.000 0.518 118 Q N -1.503 118.287 119.800 -0.016 0.000 2.119 118 Q HA -0.207 4.133 4.340 -0.000 0.000 0.201 118 Q C 1.816 177.683 176.000 -0.222 0.000 0.972 118 Q CA 1.808 57.490 55.803 -0.202 0.000 0.847 118 Q CB -0.255 28.381 28.738 -0.169 0.000 0.903 118 Q HN 0.560 nan 8.270 nan 0.000 0.433 119 Y N -0.084 120.152 120.300 -0.106 0.000 2.231 119 Y HA -0.041 4.509 4.550 -0.000 0.000 0.294 119 Y C 1.880 177.733 175.900 -0.077 0.000 1.120 119 Y CA 0.800 58.842 58.100 -0.097 0.000 1.141 119 Y CB 0.176 38.574 38.460 -0.103 0.000 1.022 119 Y HN 0.005 nan 8.280 nan 0.000 0.523 120 L N -0.951 120.354 121.223 0.136 0.000 2.418 120 L HA -0.012 4.328 4.340 -0.000 0.000 0.218 120 L C 0.806 177.678 176.870 0.003 0.000 1.125 120 L CA 0.512 55.404 54.840 0.087 0.000 0.835 120 L CB -0.074 42.078 42.059 0.154 0.000 0.953 120 L HN 0.159 nan 8.230 nan 0.000 0.454 121 R N -0.069 120.353 120.500 -0.130 0.000 3.840 121 R HA -0.155 4.185 4.340 -0.000 0.000 0.464 121 R C -0.399 175.824 176.300 -0.128 0.000 0.986 121 R CA 1.285 57.236 56.100 -0.248 0.000 1.305 121 R CB -2.253 27.975 30.300 -0.119 0.000 1.950 121 R HN 0.700 nan 8.270 nan 0.000 0.526 122 D N -1.669 118.774 120.400 0.073 0.000 2.779 122 D HA 0.119 4.759 4.640 -0.000 0.000 0.331 122 D C -0.414 176.087 176.300 0.335 0.000 1.331 122 D CA -0.715 53.449 54.000 0.273 0.000 0.866 122 D CB -0.311 40.585 40.800 0.160 0.000 1.409 122 D HN -0.051 nan 8.370 nan 0.000 0.486 123 N N -0.749 118.105 118.700 0.257 0.000 2.276 123 N HA 0.411 5.151 4.740 -0.000 0.000 0.212 123 N C -0.025 175.571 175.510 0.144 0.000 1.127 123 N CA -0.376 52.797 53.050 0.205 0.000 0.834 123 N CB 0.699 39.264 38.487 0.131 0.000 1.014 123 N HN 0.506 nan 8.380 nan 0.000 0.491 124 A N 0.420 123.323 122.820 0.138 0.000 2.498 124 A HA 0.076 4.396 4.320 -0.000 0.000 0.239 124 A C 0.291 177.944 177.584 0.114 0.000 1.068 124 A CA -0.039 52.059 52.037 0.102 0.000 0.766 124 A CB 0.201 19.256 19.000 0.092 0.000 1.003 124 A HN 0.387 nan 8.150 nan 0.000 0.497 125 C N 3.848 123.189 119.300 0.068 0.000 2.210 125 C HA 0.371 4.831 4.460 -0.000 0.000 0.377 125 C C 0.632 175.688 174.990 0.111 0.000 1.037 125 C CA -0.671 58.382 59.018 0.058 0.000 1.405 125 C CB -1.997 25.718 27.740 -0.042 0.000 1.802 125 C HN 0.564 nan 8.230 nan 0.000 0.495 126 V N 3.474 123.496 119.914 0.180 0.000 2.715 126 V HA 0.287 4.407 4.120 -0.000 0.000 0.299 126 V C 0.975 177.169 176.094 0.167 0.000 1.054 126 V CA -0.186 62.200 62.300 0.144 0.000 1.077 126 V CB 0.804 32.706 31.823 0.132 0.000 0.972 126 V HN 0.875 nan 8.190 nan 0.000 0.484 127 A N 3.880 126.769 122.820 0.115 0.000 2.505 127 A HA 0.264 4.584 4.320 -0.000 0.000 0.271 127 A C 0.739 178.405 177.584 0.136 0.000 1.112 127 A CA 0.305 52.412 52.037 0.117 0.000 0.781 127 A CB -0.037 19.005 19.000 0.070 0.000 1.059 127 A HN 0.815 nan 8.150 nan 0.000 0.508 128 S N 3.007 118.828 115.700 0.202 0.000 2.955 128 S HA 0.475 4.945 4.470 -0.000 0.000 0.294 128 S C 0.329 175.074 174.600 0.241 0.000 1.198 128 S CA 0.064 58.412 58.200 0.245 0.000 1.008 128 S CB -0.726 62.634 63.200 0.267 0.000 1.279 128 S HN 1.033 nan 8.310 nan 0.000 0.508 129 T N 2.658 117.236 114.554 0.040 0.000 2.907 129 T HA 0.717 5.067 4.350 -0.000 0.000 0.292 129 T C -3.050 171.288 174.700 -0.604 0.000 1.043 129 T CA -2.010 59.933 62.100 -0.262 0.000 1.003 129 T CB 1.911 70.717 68.868 -0.103 0.000 1.084 129 T HN 0.299 nan 8.240 nan 0.000 0.483 130 P HA 0.301 nan 4.420 nan 0.000 0.282 130 P C -0.752 176.409 177.300 -0.231 0.000 1.287 130 P CA -0.321 62.326 63.100 -0.755 0.000 0.792 130 P CB 0.478 31.717 31.700 -0.769 0.000 1.163 131 D N -0.838 119.513 120.400 -0.082 0.000 2.417 131 D HA 0.001 4.641 4.640 -0.000 0.000 0.250 131 D C 0.989 177.309 176.300 0.034 0.000 1.166 131 D CA -0.118 53.893 54.000 0.019 0.000 0.881 131 D CB -0.109 40.722 40.800 0.052 0.000 1.164 131 D HN 0.222 nan 8.370 nan 0.000 0.467 132 F N 3.338 123.257 119.950 -0.052 0.000 2.069 132 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 132 F C 1.851 177.635 175.800 -0.026 0.000 1.113 132 F CA 1.573 59.548 58.000 -0.042 0.000 1.214 132 F CB 0.103 39.085 39.000 -0.029 0.000 0.978 132 F HN 0.525 nan 8.300 nan 0.000 0.474 133 E N 0.099 120.315 120.200 0.027 0.000 2.031 133 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 133 E C 2.077 178.603 176.600 -0.125 0.000 0.994 133 E CA 1.437 57.790 56.400 -0.079 0.000 0.800 133 E CB -0.493 29.238 29.700 0.052 0.000 0.752 133 E HN 0.361 nan 8.360 nan 0.000 0.447 134 L N 1.042 122.229 121.223 -0.060 0.000 2.079 134 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 134 L C 2.207 179.025 176.870 -0.087 0.000 1.081 134 L CA 1.859 56.670 54.840 -0.049 0.000 0.752 134 L CB -0.605 41.453 42.059 -0.002 0.000 0.896 134 L HN 0.067 nan 8.230 nan 0.000 0.433 135 T N -0.481 113.994 114.554 -0.132 0.000 2.821 135 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 135 T C 1.707 176.284 174.700 -0.205 0.000 1.046 135 T CA 1.314 63.321 62.100 -0.154 0.000 1.139 135 T CB -0.281 68.487 68.868 -0.166 0.000 0.871 135 T HN 0.344 nan 8.240 nan 0.000 0.454 136 N N 1.048 119.569 118.700 -0.298 0.000 2.309 136 N HA 0.009 4.749 4.740 -0.000 0.000 0.182 136 N C 1.791 177.202 175.510 -0.166 0.000 1.018 136 N CA 0.787 53.669 53.050 -0.279 0.000 0.876 136 N CB -0.053 38.195 38.487 -0.398 0.000 0.972 136 N HN 0.438 nan 8.380 nan 0.000 0.434 137 K N 0.539 120.861 120.400 -0.131 0.000 2.148 137 K HA 0.033 4.353 4.320 -0.000 0.000 0.204 137 K C 2.027 178.592 176.600 -0.060 0.000 1.050 137 K CA 0.489 56.729 56.287 -0.078 0.000 0.942 137 K CB -0.015 32.451 32.500 -0.056 0.000 0.724 137 K HN 0.123 nan 8.250 nan 0.000 0.446 138 L N 0.522 121.704 121.223 -0.067 0.000 2.056 138 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 138 L C 2.296 179.127 176.870 -0.065 0.000 1.078 138 L CA 0.896 55.722 54.840 -0.022 0.000 0.749 138 L CB -0.379 41.634 42.059 -0.078 0.000 0.901 138 L HN -0.020 nan 8.230 nan 0.000 0.433 139 V N -0.549 119.245 119.914 -0.201 0.000 2.332 139 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 139 V C 2.531 178.516 176.094 -0.182 0.000 1.055 139 V CA 2.379 64.478 62.300 -0.335 0.000 1.038 139 V CB -0.751 30.939 31.823 -0.222 0.000 0.651 139 V HN 0.497 nan 8.190 nan 0.000 0.450 140 T N -0.509 113.993 114.554 -0.087 0.000 2.746 140 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 140 T C 2.139 176.823 174.700 -0.027 0.000 1.039 140 T CA 1.823 63.900 62.100 -0.039 0.000 1.142 140 T CB -0.238 68.607 68.868 -0.037 0.000 0.866 140 T HN 0.489 nan 8.240 nan 0.000 0.444 141 S N 0.822 116.507 115.700 -0.026 0.000 2.368 141 S HA 0.005 4.475 4.470 -0.000 0.000 0.224 141 S C 1.650 176.171 174.600 -0.131 0.000 1.029 141 S CA 0.912 59.071 58.200 -0.069 0.000 0.988 141 S CB -0.425 62.727 63.200 -0.081 0.000 0.838 141 S HN 0.396 nan 8.310 nan 0.000 0.462 142 F N 2.021 121.839 119.950 -0.221 0.000 2.259 142 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 142 F C 2.656 178.424 175.800 -0.053 0.000 1.088 142 F CA 0.659 58.533 58.000 -0.210 0.000 1.358 142 F CB -0.609 38.163 39.000 -0.381 0.000 1.040 142 F HN 0.095 nan 8.300 nan 0.000 0.505 143 S N -0.295 115.479 115.700 0.123 0.000 2.368 143 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 143 S C 2.049 176.695 174.600 0.077 0.000 1.029 143 S CA 1.095 59.403 58.200 0.180 0.000 0.988 143 S CB -0.303 62.990 63.200 0.155 0.000 0.838 143 S HN 0.294 nan 8.310 nan 0.000 0.462 144 K N 1.161 121.570 120.400 0.016 0.000 2.103 144 K HA -0.035 4.285 4.320 -0.000 0.000 0.207 144 K C 1.663 178.246 176.600 -0.028 0.000 1.048 144 K CA 1.064 57.343 56.287 -0.012 0.000 0.930 144 K CB -0.011 32.467 32.500 -0.036 0.000 0.716 144 K HN 0.155 nan 8.250 nan 0.000 0.444 145 R N 0.636 121.098 120.500 -0.063 0.000 2.356 145 R HA 0.116 4.456 4.340 -0.000 0.000 0.234 145 R C -0.324 175.966 176.300 -0.017 0.000 0.929 145 R CA -0.035 56.018 56.100 -0.078 0.000 1.084 145 R CB 0.038 30.227 30.300 -0.186 0.000 1.105 145 R HN 0.263 nan 8.270 nan 0.000 0.515 146 N N 1.219 119.939 118.700 0.034 0.000 2.714 146 N HA -0.199 4.541 4.740 -0.000 0.000 0.252 146 N C -0.948 174.633 175.510 0.119 0.000 1.014 146 N CA 0.984 54.078 53.050 0.074 0.000 0.735 146 N CB -1.013 37.501 38.487 0.046 0.000 0.924 146 N HN 0.292 nan 8.380 nan 0.000 0.540 147 L N -0.135 121.202 121.223 0.190 0.000 2.322 147 L HA 0.360 4.700 4.340 -0.000 0.000 0.279 147 L C 0.830 177.949 176.870 0.415 0.000 1.036 147 L CA -0.933 54.097 54.840 0.317 0.000 0.807 147 L CB 1.257 43.490 42.059 0.291 0.000 1.226 147 L HN -0.111 nan 8.230 nan 0.000 0.433 148 K N 3.218 123.841 120.400 0.372 0.000 2.316 148 K HA 0.297 4.617 4.320 -0.000 0.000 0.289 148 K C -1.165 175.614 176.600 0.299 0.000 1.070 148 K CA 0.031 56.426 56.287 0.180 0.000 0.928 148 K CB 0.067 32.627 32.500 0.099 0.000 1.039 148 K HN 0.377 nan 8.250 nan 0.000 0.480 149 Y N 1.713 122.026 120.300 0.022 0.000 2.609 149 Y HA 0.669 5.219 4.550 -0.000 0.000 0.342 149 Y C -1.470 174.284 175.900 -0.243 0.000 1.058 149 Y CA -1.425 56.706 58.100 0.050 0.000 1.055 149 Y CB 1.016 39.508 38.460 0.054 0.000 1.292 149 Y HN 0.355 nan 8.280 nan 0.000 0.476 150 Y N 0.245 120.690 120.300 0.242 0.000 2.512 150 Y HA 0.669 5.219 4.550 -0.000 0.000 0.348 150 Y C -0.956 175.085 175.900 0.236 0.000 0.990 150 Y CA -1.555 56.645 58.100 0.168 0.000 1.033 150 Y CB 2.330 40.886 38.460 0.161 0.000 1.259 150 Y HN 0.568 nan 8.280 nan 0.000 0.461 151 V N 2.127 122.242 119.914 0.335 0.000 2.417 151 V HA 0.962 5.082 4.120 -0.000 0.000 0.291 151 V C 0.120 176.334 176.094 0.200 0.000 1.024 151 V CA -0.215 62.227 62.300 0.237 0.000 0.861 151 V CB 1.060 32.999 31.823 0.194 0.000 0.985 151 V HN 0.995 nan 8.190 nan 0.000 0.436 152 G N 3.585 112.486 108.800 0.167 0.000 2.349 152 G HA2 0.302 4.262 3.960 -0.000 0.000 0.294 152 G HA3 0.302 4.262 3.960 -0.000 0.000 0.294 152 G C -1.661 173.323 174.900 0.139 0.000 1.380 152 G CA -0.866 44.323 45.100 0.148 0.000 0.811 152 G HN 0.462 nan 8.290 nan 0.000 0.519 153 N N -0.623 118.158 118.700 0.135 0.000 2.493 153 N HA 0.627 5.367 4.740 -0.000 0.000 0.275 153 N C 0.203 175.798 175.510 0.142 0.000 1.186 153 N CA -0.078 53.062 53.050 0.150 0.000 0.978 153 N CB 1.836 40.413 38.487 0.151 0.000 1.184 153 N HN 1.047 nan 8.380 nan 0.000 0.487 154 V N -1.858 118.145 119.914 0.149 0.000 3.040 154 V HA 0.648 4.768 4.120 -0.000 0.000 0.312 154 V C -0.957 175.200 176.094 0.104 0.000 1.115 154 V CA -1.086 61.279 62.300 0.109 0.000 0.998 154 V CB 1.832 33.697 31.823 0.070 0.000 1.042 154 V HN 0.447 nan 8.190 nan 0.000 0.433 155 F N 2.184 122.050 119.950 -0.140 0.000 2.415 155 F HA 0.742 5.269 4.527 -0.000 0.000 0.348 155 F C 0.385 176.043 175.800 -0.237 0.000 1.119 155 F CA -0.464 57.330 58.000 -0.343 0.000 1.069 155 F CB 1.588 40.079 39.000 -0.848 0.000 1.124 155 F HN 0.595 nan 8.300 nan 0.000 0.472 156 S N 4.749 119.923 115.700 -0.876 0.000 2.473 156 S HA 0.222 4.692 4.470 -0.000 0.000 0.312 156 S C -0.043 173.873 174.600 -1.139 0.000 1.087 156 S CA -0.415 57.355 58.200 -0.716 0.000 1.077 156 S CB 0.338 63.342 63.200 -0.328 0.000 1.065 156 S HN 0.721 nan 8.310 nan 0.000 0.510 157 S N 1.757 116.850 115.700 -1.012 0.000 2.601 157 S HA 0.224 4.694 4.470 -0.000 0.000 0.271 157 S C 0.388 174.863 174.600 -0.208 0.000 1.305 157 S CA -0.562 57.267 58.200 -0.619 0.000 1.022 157 S CB 0.533 63.629 63.200 -0.174 0.000 0.940 157 S HN 0.623 nan 8.310 nan 0.000 0.525 158 D N 1.712 122.089 120.400 -0.039 0.000 2.407 158 D HA 0.255 4.895 4.640 -0.000 0.000 0.208 158 D C -0.130 176.205 176.300 0.058 0.000 1.083 158 D CA 0.254 54.269 54.000 0.025 0.000 0.844 158 D CB 0.678 41.525 40.800 0.079 0.000 0.967 158 D HN 0.490 nan 8.370 nan 0.000 0.506 159 A N 0.588 123.443 122.820 0.059 0.000 2.763 159 A HA 0.270 4.590 4.320 -0.000 0.000 0.325 159 A C 0.277 177.868 177.584 0.012 0.000 1.209 159 A CA -0.653 51.427 52.037 0.072 0.000 0.764 159 A CB -0.140 18.907 19.000 0.079 0.000 1.120 159 A HN 0.004 nan 8.150 nan 0.000 0.463 160 F N 1.710 121.580 119.950 -0.132 0.000 2.115 160 F HA -0.225 4.302 4.527 -0.000 0.000 0.300 160 F C 0.985 176.510 175.800 -0.457 0.000 1.092 160 F CA 2.184 59.998 58.000 -0.311 0.000 1.245 160 F CB -0.016 38.762 39.000 -0.370 0.000 0.995 160 F HN 0.671 nan 8.300 nan 0.000 0.481 161 Y N -0.669 119.705 120.300 0.123 0.000 2.596 161 Y HA 0.383 4.933 4.550 -0.000 0.000 0.316 161 Y C 1.165 177.026 175.900 -0.065 0.000 1.156 161 Y CA 0.110 58.229 58.100 0.031 0.000 1.300 161 Y CB -0.213 38.315 38.460 0.114 0.000 1.130 161 Y HN 0.139 nan 8.280 nan 0.000 0.518 162 A N -0.711 122.050 122.820 -0.098 0.000 2.585 162 A HA 0.216 4.535 4.320 -0.000 0.000 0.266 162 A C 0.339 177.717 177.584 -0.343 0.000 1.178 162 A CA -0.353 51.616 52.037 -0.114 0.000 0.966 162 A CB 0.059 19.036 19.000 -0.038 0.000 1.170 162 A HN 0.311 nan 8.150 nan 0.000 0.558 163 E N 2.367 122.223 120.200 -0.574 0.000 1.892 163 E HA 0.201 4.551 4.350 -0.000 0.000 0.271 163 E C -0.766 175.632 176.600 -0.337 0.000 1.146 163 E CA -0.403 55.428 56.400 -0.949 0.000 1.096 163 E CB 0.055 29.132 29.700 -1.039 0.000 1.155 163 E HN 0.683 nan 8.360 nan 0.000 0.458 164 D N 0.264 120.602 120.400 -0.103 0.000 2.478 164 D HA 0.015 4.655 4.640 -0.000 0.000 0.274 164 D C 0.794 177.173 176.300 0.131 0.000 1.234 164 D CA -0.542 53.475 54.000 0.028 0.000 1.069 164 D CB 0.611 41.434 40.800 0.039 0.000 1.113 164 D HN -0.102 nan 8.370 nan 0.000 0.571 165 E N -0.596 119.657 120.200 0.087 0.000 2.051 165 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 165 E C 1.730 178.384 176.600 0.090 0.000 0.991 165 E CA 1.452 57.901 56.400 0.081 0.000 0.799 165 E CB -0.252 29.474 29.700 0.044 0.000 0.748 165 E HN 0.688 nan 8.360 nan 0.000 0.449 166 E N -0.341 119.910 120.200 0.084 0.000 2.097 166 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 166 E C 1.824 178.467 176.600 0.072 0.000 1.000 166 E CA 1.054 57.486 56.400 0.053 0.000 0.804 166 E CB -0.211 29.517 29.700 0.048 0.000 0.740 166 E HN 0.280 nan 8.360 nan 0.000 0.454 167 F N 0.856 120.808 119.950 0.004 0.000 2.043 167 F HA -0.267 4.260 4.527 -0.000 0.000 0.297 167 F C 2.134 177.997 175.800 0.105 0.000 1.121 167 F CA 1.755 59.798 58.000 0.071 0.000 1.199 167 F CB -0.537 38.532 39.000 0.114 0.000 0.968 167 F HN -0.111 nan 8.300 nan 0.000 0.478 168 V N 0.905 120.939 119.914 0.199 0.000 2.287 168 V HA -0.362 3.758 4.120 -0.000 0.000 0.248 168 V C 2.340 178.410 176.094 -0.040 0.000 1.053 168 V CA 2.484 64.828 62.300 0.073 0.000 1.027 168 V CB -0.815 31.072 31.823 0.107 0.000 0.646 168 V HN 0.337 nan 8.190 nan 0.000 0.447 169 K N -0.028 120.342 120.400 -0.049 0.000 2.097 169 K HA -0.182 4.138 4.320 -0.000 0.000 0.205 169 K C 2.284 178.783 176.600 -0.169 0.000 1.050 169 K CA 1.189 57.426 56.287 -0.083 0.000 0.938 169 K CB -0.219 32.243 32.500 -0.063 0.000 0.718 169 K HN 0.370 nan 8.250 nan 0.000 0.442 170 K N 0.616 120.852 120.400 -0.273 0.000 2.002 170 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 170 K C 1.780 178.007 176.600 -0.621 0.000 1.048 170 K CA 1.615 57.608 56.287 -0.491 0.000 0.930 170 K CB -0.131 31.957 32.500 -0.686 0.000 0.714 170 K HN 0.219 nan 8.250 nan 0.000 0.438 171 W N 0.574 121.607 121.300 -0.444 0.000 2.436 171 W HA -0.037 4.623 4.660 -0.000 0.000 0.284 171 W C 2.707 179.085 176.519 -0.236 0.000 1.225 171 W CA 0.837 57.925 57.345 -0.428 0.000 1.271 171 W CB -0.318 28.749 29.460 -0.655 0.000 1.114 171 W HN 0.147 nan 8.180 nan 0.000 0.559 172 S N 0.231 115.916 115.700 -0.025 0.000 2.383 172 S HA -0.175 4.295 4.470 -0.000 0.000 0.227 172 S C 2.042 176.624 174.600 -0.030 0.000 1.026 172 S CA 1.753 59.945 58.200 -0.013 0.000 0.981 172 S CB -0.672 62.510 63.200 -0.029 0.000 0.818 172 S HN 0.203 nan 8.310 nan 0.000 0.472 173 S N 0.144 115.792 115.700 -0.087 0.000 2.607 173 S HA 0.189 4.659 4.470 -0.000 0.000 0.224 173 S C 1.300 175.846 174.600 -0.090 0.000 0.969 173 S CA -0.096 58.051 58.200 -0.088 0.000 0.927 173 S CB -0.292 62.834 63.200 -0.122 0.000 0.772 173 S HN 0.535 nan 8.310 nan 0.000 0.533 174 R N 0.400 120.849 120.500 -0.086 0.000 2.507 174 R HA 0.344 4.684 4.340 -0.000 0.000 0.298 174 R C 1.142 177.461 176.300 0.032 0.000 0.999 174 R CA 0.300 56.365 56.100 -0.058 0.000 1.082 174 R CB 0.215 30.444 30.300 -0.119 0.000 1.246 174 R HN 0.495 nan 8.270 nan 0.000 0.553 175 G N 1.105 109.928 108.800 0.039 0.000 2.143 175 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.248 175 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.248 175 G C -0.430 174.530 174.900 0.100 0.000 0.991 175 G CA -0.292 44.849 45.100 0.069 0.000 0.689 175 G HN 0.335 nan 8.290 nan 0.000 0.522 176 N N 0.067 118.836 118.700 0.115 0.000 2.421 176 N HA 0.535 5.275 4.740 -0.000 0.000 0.285 176 N C 1.474 177.032 175.510 0.080 0.000 1.027 176 N CA -0.031 53.097 53.050 0.130 0.000 0.918 176 N CB 1.260 39.864 38.487 0.197 0.000 1.152 176 N HN 0.432 nan 8.380 nan 0.000 0.485 177 I N -1.714 118.892 120.570 0.060 0.000 3.956 177 I HA 0.502 4.672 4.170 -0.000 0.000 0.333 177 I C 0.405 176.499 176.117 -0.037 0.000 1.302 177 I CA -0.154 61.141 61.300 -0.009 0.000 1.122 177 I CB 0.357 38.350 38.000 -0.012 0.000 1.013 177 I HN 0.260 nan 8.210 nan 0.000 0.405 178 A N 0.487 123.317 122.820 0.016 0.000 2.586 178 A HA 0.757 5.077 4.320 -0.000 0.000 0.290 178 A C -1.548 176.063 177.584 0.044 0.000 1.086 178 A CA -0.492 51.551 52.037 0.011 0.000 0.665 178 A CB 1.946 20.948 19.000 0.002 0.000 1.279 178 A HN 0.036 nan 8.150 nan 0.000 0.423 179 V N 0.754 120.694 119.914 0.043 0.000 2.709 179 V HA 0.827 4.947 4.120 -0.000 0.000 0.308 179 V C -0.713 175.380 176.094 -0.003 0.000 1.062 179 V CA 0.170 62.501 62.300 0.050 0.000 0.901 179 V CB 1.642 33.570 31.823 0.174 0.000 1.003 179 V HN 1.454 nan 8.190 nan 0.000 0.425 180 E N 5.462 125.621 120.200 -0.067 0.000 2.350 180 E HA 0.562 4.912 4.350 -0.000 0.000 0.243 180 E C -0.434 176.088 176.600 -0.130 0.000 0.959 180 E CA -0.613 55.752 56.400 -0.059 0.000 0.883 180 E CB 1.357 31.032 29.700 -0.042 0.000 1.820 180 E HN 0.411 nan 8.360 nan 0.000 0.441 181 M N -0.841 118.696 119.600 -0.105 0.000 2.268 181 M HA 0.321 4.801 4.480 -0.000 0.000 0.355 181 M C 0.045 176.250 176.300 -0.158 0.000 0.938 181 M CA 0.201 55.420 55.300 -0.135 0.000 1.025 181 M CB 0.799 33.366 32.600 -0.055 0.000 1.773 181 M HN 0.447 nan 8.290 nan 0.000 0.613 182 E N -0.542 119.548 120.200 -0.184 0.000 2.514 182 E HA 0.134 4.484 4.350 -0.000 0.000 0.215 182 E C 1.510 177.899 176.600 -0.352 0.000 0.946 182 E CA 0.195 56.436 56.400 -0.266 0.000 1.038 182 E CB 0.113 29.599 29.700 -0.356 0.000 1.069 182 E HN 0.321 nan 8.360 nan 0.000 0.503 183 C N 1.107 120.178 119.300 -0.382 0.000 2.413 183 C HA -0.116 4.344 4.460 -0.000 0.000 0.276 183 C C 2.786 177.346 174.990 -0.716 0.000 1.236 183 C CA 1.319 59.923 59.018 -0.690 0.000 1.735 183 C CB -0.888 26.501 27.740 -0.585 0.000 2.031 183 C HN 0.578 nan 8.230 nan 0.000 0.474 184 A N 0.028 122.658 122.820 -0.318 0.000 1.908 184 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 184 A C 2.183 179.722 177.584 -0.075 0.000 1.181 184 A CA 2.593 54.551 52.037 -0.132 0.000 0.627 184 A CB -1.054 17.901 19.000 -0.076 0.000 0.818 184 A HN 0.590 nan 8.150 nan 0.000 0.445 185 T N -0.033 114.433 114.554 -0.147 0.000 2.737 185 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 185 T C 1.858 176.417 174.700 -0.234 0.000 1.038 185 T CA 1.423 63.373 62.100 -0.251 0.000 1.144 185 T CB -0.386 68.284 68.868 -0.329 0.000 0.866 185 T HN 0.360 nan 8.240 nan 0.000 0.434 186 L N 0.737 121.784 121.223 -0.292 0.000 1.989 186 L HA -0.001 4.339 4.340 -0.000 0.000 0.211 186 L C 2.063 178.947 176.870 0.024 0.000 1.071 186 L CA 1.795 56.509 54.840 -0.209 0.000 0.749 186 L CB -0.925 40.937 42.059 -0.328 0.000 0.890 186 L HN 0.323 nan 8.230 nan 0.000 0.431 187 F N -0.775 119.167 119.950 -0.013 0.000 2.075 187 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 187 F C 2.349 178.137 175.800 -0.019 0.000 1.113 187 F CA 1.216 59.224 58.000 0.013 0.000 1.218 187 F CB -0.924 38.091 39.000 0.026 0.000 0.984 187 F HN 0.089 nan 8.300 nan 0.000 0.472 188 T N 0.793 115.435 114.554 0.145 0.000 2.708 188 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 188 T C 1.819 176.459 174.700 -0.100 0.000 1.037 188 T CA 1.073 63.195 62.100 0.036 0.000 1.146 188 T CB -0.502 68.401 68.868 0.058 0.000 0.865 188 T HN 0.046 nan 8.240 nan 0.000 0.435 189 L N 1.178 122.284 121.223 -0.196 0.000 2.141 189 L HA 0.027 4.367 4.340 -0.000 0.000 0.209 189 L C 2.458 179.079 176.870 -0.415 0.000 1.094 189 L CA 1.511 56.117 54.840 -0.391 0.000 0.763 189 L CB -0.905 40.919 42.059 -0.391 0.000 0.908 189 L HN 0.104 nan 8.230 nan 0.000 0.437 190 S N -0.720 114.919 115.700 -0.102 0.000 2.383 190 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 190 S C 1.908 176.431 174.600 -0.128 0.000 1.026 190 S CA 0.867 59.074 58.200 0.011 0.000 0.981 190 S CB -0.168 63.228 63.200 0.327 0.000 0.818 190 S HN 0.371 nan 8.310 nan 0.000 0.472 191 K N 1.078 121.433 120.400 -0.076 0.000 2.057 191 K HA 0.048 4.368 4.320 -0.000 0.000 0.206 191 K C 2.121 178.633 176.600 -0.147 0.000 1.050 191 K CA 0.795 57.040 56.287 -0.070 0.000 0.935 191 K CB -0.923 31.565 32.500 -0.020 0.000 0.715 191 K HN 0.260 nan 8.250 nan 0.000 0.439 192 V N 2.058 121.843 119.914 -0.214 0.000 2.358 192 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 192 V C 1.980 177.875 176.094 -0.331 0.000 1.047 192 V CA 1.567 63.727 62.300 -0.233 0.000 1.035 192 V CB -0.246 31.432 31.823 -0.242 0.000 0.658 192 V HN 0.229 nan 8.190 nan 0.000 0.452 193 K N -0.103 119.933 120.400 -0.606 0.000 2.426 193 K HA 0.211 4.531 4.320 -0.000 0.000 0.193 193 K C 1.443 177.662 176.600 -0.635 0.000 1.028 193 K CA 0.843 56.641 56.287 -0.814 0.000 1.047 193 K CB 0.078 31.504 32.500 -1.790 0.000 0.821 193 K HN 0.568 nan 8.250 nan 0.000 0.513 194 G N 1.634 110.191 108.800 -0.404 0.000 2.160 194 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.244 194 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.244 194 G C -0.444 174.487 174.900 0.052 0.000 1.022 194 G CA -0.203 44.816 45.100 -0.136 0.000 0.741 194 G HN 0.083 nan 8.290 nan 0.000 0.508 195 W N 0.069 121.424 121.300 0.092 0.000 2.436 195 W HA 0.640 5.300 4.660 -0.000 0.000 0.347 195 W C 0.604 177.198 176.519 0.125 0.000 1.136 195 W CA -1.430 56.000 57.345 0.141 0.000 1.286 195 W CB 0.745 30.390 29.460 0.307 0.000 1.253 195 W HN -0.038 nan 8.180 nan 0.000 0.617 196 K N 1.834 122.434 120.400 0.334 0.000 2.253 196 K HA 0.467 4.787 4.320 -0.000 0.000 0.277 196 K C -0.378 176.372 176.600 0.251 0.000 1.053 196 K CA -0.109 56.305 56.287 0.210 0.000 0.892 196 K CB 1.224 33.791 32.500 0.111 0.000 1.102 196 K HN 0.233 nan 8.250 nan 0.000 0.469 197 S N 0.988 116.844 115.700 0.261 0.000 2.599 197 S HA 0.857 5.327 4.470 -0.000 0.000 0.287 197 S C -1.163 173.577 174.600 0.233 0.000 1.105 197 S CA -0.860 57.527 58.200 0.312 0.000 0.899 197 S CB 2.064 65.528 63.200 0.440 0.000 1.100 197 S HN 0.714 nan 8.310 nan 0.000 0.482 198 A N 0.807 123.798 122.820 0.285 0.000 2.581 198 A HA 0.927 5.247 4.320 -0.000 0.000 0.290 198 A C -1.249 176.535 177.584 0.333 0.000 1.119 198 A CA -0.752 51.431 52.037 0.244 0.000 0.670 198 A CB 1.505 20.564 19.000 0.098 0.000 1.280 198 A HN 0.638 nan 8.150 nan 0.000 0.425 199 T N -0.086 114.644 114.554 0.292 0.000 3.012 199 T HA 0.581 4.931 4.350 -0.000 0.000 0.330 199 T C -1.506 173.297 174.700 0.172 0.000 1.321 199 T CA -0.355 61.897 62.100 0.252 0.000 1.067 199 T CB 1.577 70.605 68.868 0.266 0.000 1.235 199 T HN 1.041 nan 8.240 nan 0.000 0.479 200 V N 3.627 123.656 119.914 0.192 0.000 2.709 200 V HA 0.648 4.768 4.120 -0.000 0.000 0.308 200 V C -0.856 175.399 176.094 0.270 0.000 1.062 200 V CA -0.850 61.547 62.300 0.161 0.000 0.901 200 V CB 1.813 33.690 31.823 0.091 0.000 1.003 200 V HN 0.705 nan 8.190 nan 0.000 0.425 201 L N 3.997 125.341 121.223 0.201 0.000 2.362 201 L HA 0.706 5.046 4.340 -0.000 0.000 0.271 201 L C -0.654 176.318 176.870 0.171 0.000 1.002 201 L CA -1.006 53.915 54.840 0.134 0.000 0.818 201 L CB 2.232 44.340 42.059 0.081 0.000 1.298 201 L HN 0.329 nan 8.230 nan 0.000 0.420 202 V N 2.880 122.823 119.914 0.048 0.000 2.407 202 V HA 0.217 4.337 4.120 -0.000 0.000 0.278 202 V C 0.210 176.280 176.094 -0.040 0.000 1.037 202 V CA -0.701 61.606 62.300 0.012 0.000 0.900 202 V CB 1.721 33.518 31.823 -0.044 0.000 0.983 202 V HN 0.422 nan 8.190 nan 0.000 0.459 203 V N 5.388 125.261 119.914 -0.067 0.000 2.415 203 V HA 0.111 4.231 4.120 -0.000 0.000 0.267 203 V C 1.217 177.279 176.094 -0.053 0.000 1.042 203 V CA 0.754 63.020 62.300 -0.056 0.000 1.000 203 V CB 0.900 32.681 31.823 -0.071 0.000 1.015 203 V HN 1.112 nan 8.190 nan 0.000 0.478 204 S N 1.639 117.322 115.700 -0.027 0.000 2.523 204 S HA 0.242 4.712 4.470 -0.000 0.000 0.217 204 S C 0.135 174.742 174.600 0.012 0.000 0.996 204 S CA -0.225 57.971 58.200 -0.007 0.000 0.921 204 S CB 0.334 63.535 63.200 0.002 0.000 0.829 204 S HN 0.728 nan 8.310 nan 0.000 0.495 205 D N 0.475 120.876 120.400 0.002 0.000 2.623 205 D HA 0.364 5.004 4.640 -0.000 0.000 0.241 205 D C -2.151 174.139 176.300 -0.016 0.000 1.241 205 D CA -0.393 53.613 54.000 0.009 0.000 0.788 205 D CB 1.609 42.423 40.800 0.023 0.000 1.413 205 D HN 0.006 nan 8.370 nan 0.000 0.429 206 N N 2.836 121.527 118.700 -0.014 0.000 2.540 206 N HA 0.221 4.961 4.740 -0.000 0.000 0.275 206 N C 0.460 175.957 175.510 -0.022 0.000 1.053 206 N CA -0.302 52.725 53.050 -0.038 0.000 0.876 206 N CB 1.181 39.638 38.487 -0.051 0.000 1.284 206 N HN 0.448 nan 8.380 nan 0.000 0.518 207 L N 1.650 122.860 121.223 -0.022 0.000 2.478 207 L HA 0.093 4.433 4.340 -0.000 0.000 0.223 207 L C 1.923 178.793 176.870 -0.000 0.000 1.140 207 L CA 0.689 55.527 54.840 -0.003 0.000 0.842 207 L CB -0.204 41.869 42.059 0.022 0.000 0.953 207 L HN 0.461 nan 8.230 nan 0.000 0.452 208 A N -0.514 122.292 122.820 -0.023 0.000 2.044 208 A HA 0.056 4.376 4.320 -0.000 0.000 0.213 208 A C 1.304 178.879 177.584 -0.016 0.000 1.169 208 A CA 0.452 52.474 52.037 -0.024 0.000 0.724 208 A CB 0.256 19.222 19.000 -0.056 0.000 0.840 208 A HN 0.219 nan 8.150 nan 0.000 0.463 214 I N 2.257 122.944 120.570 0.195 0.000 2.533 214 I HA 0.301 4.471 4.170 -0.000 0.000 0.290 214 I C 1.057 177.315 176.117 0.234 0.000 1.056 214 I CA 0.031 61.362 61.300 0.052 0.000 1.057 214 I CB 2.494 40.491 38.000 -0.007 0.000 1.240 214 I HN 0.694 nan 8.210 nan 0.000 0.423 215 T N 5.218 119.907 114.554 0.225 0.000 3.101 215 T HA -0.115 4.235 4.350 -0.000 0.000 0.214 215 T C 1.134 175.916 174.700 0.136 0.000 1.259 215 T CA 2.576 64.822 62.100 0.244 0.000 1.832 215 T CB 0.148 69.135 68.868 0.198 0.000 1.077 215 T HN 0.860 nan 8.240 nan 0.000 0.356 216 K N -1.492 118.963 120.400 0.092 0.000 2.706 216 K HA 0.290 4.610 4.320 -0.000 0.000 0.179 216 K C 1.995 178.624 176.600 0.049 0.000 1.768 216 K CA 0.219 56.543 56.287 0.062 0.000 1.281 216 K CB -0.526 32.008 32.500 0.055 0.000 1.819 216 K HN 0.435 nan 8.250 nan 0.000 0.602 217 E N 1.888 122.118 120.200 0.051 0.000 2.152 217 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 217 E C 1.319 177.941 176.600 0.037 0.000 0.983 217 E CA 1.222 57.647 56.400 0.042 0.000 0.818 217 E CB 0.203 29.928 29.700 0.041 0.000 0.758 217 E HN 0.431 nan 8.360 nan 0.000 0.467 218 E N 0.450 120.669 120.200 0.032 0.000 2.152 218 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 218 E C 2.169 178.782 176.600 0.022 0.000 0.983 218 E CA 0.508 56.918 56.400 0.017 0.000 0.818 218 E CB 0.048 29.741 29.700 -0.012 0.000 0.758 218 E HN 0.312 nan 8.360 nan 0.000 0.467 219 L N 1.089 122.328 121.223 0.027 0.000 2.095 219 L HA -0.132 4.208 4.340 -0.000 0.000 0.204 219 L C 2.036 178.933 176.870 0.045 0.000 1.080 219 L CA 1.263 56.119 54.840 0.025 0.000 0.759 219 L CB 0.033 42.107 42.059 0.025 0.000 0.914 219 L HN 0.054 nan 8.230 nan 0.000 0.439 220 E N -0.348 119.880 120.200 0.047 0.000 2.153 220 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 220 E C 1.971 178.616 176.600 0.075 0.000 0.988 220 E CA 0.648 57.081 56.400 0.055 0.000 0.811 220 E CB 0.039 29.764 29.700 0.043 0.000 0.746 220 E HN 0.230 nan 8.360 nan 0.000 0.466 221 K N 0.819 121.261 120.400 0.070 0.000 2.025 221 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 221 K C 2.315 178.993 176.600 0.130 0.000 1.049 221 K CA 0.991 57.327 56.287 0.081 0.000 0.933 221 K CB -0.413 32.125 32.500 0.063 0.000 0.714 221 K HN -0.006 nan 8.250 nan 0.000 0.438 222 S N 0.298 116.078 115.700 0.134 0.000 2.359 222 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 222 S C 2.084 176.904 174.600 0.366 0.000 1.035 222 S CA 1.592 59.922 58.200 0.217 0.000 1.018 222 S CB -0.227 63.003 63.200 0.050 0.000 0.876 222 S HN 0.100 nan 8.310 nan 0.000 0.448 223 V N 2.461 122.529 119.914 0.256 0.000 2.287 223 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 223 V C 2.678 178.989 176.094 0.361 0.000 1.053 223 V CA 1.915 64.408 62.300 0.323 0.000 1.027 223 V CB -0.605 31.311 31.823 0.153 0.000 0.646 223 V HN 0.504 nan 8.190 nan 0.000 0.447 224 M N -0.397 119.328 119.600 0.209 0.000 2.086 224 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 224 M C 2.059 178.413 176.300 0.089 0.000 1.067 224 M CA 1.762 57.140 55.300 0.130 0.000 1.116 224 M CB -1.313 31.337 32.600 0.083 0.000 1.348 224 M HN 0.386 nan 8.290 nan 0.000 0.407 225 D N -0.167 120.303 120.400 0.117 0.000 2.117 225 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 225 D C 1.974 178.202 176.300 -0.119 0.000 0.987 225 D CA 1.643 55.661 54.000 0.030 0.000 0.829 225 D CB -0.470 40.392 40.800 0.103 0.000 0.961 225 D HN 0.456 nan 8.370 nan 0.000 0.460 226 G N 0.679 109.481 108.800 0.004 0.000 2.421 226 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.217 226 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.217 226 G C 1.708 176.313 174.900 -0.492 0.000 1.143 226 G CA 0.910 45.851 45.100 -0.265 0.000 0.784 226 G HN 0.368 nan 8.290 nan 0.000 0.541 227 A N 1.078 123.690 122.820 -0.347 0.000 1.933 227 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 227 A C 2.289 179.638 177.584 -0.392 0.000 1.175 227 A CA 1.859 53.608 52.037 -0.480 0.000 0.628 227 A CB -0.301 18.629 19.000 -0.116 0.000 0.814 227 A HN 0.378 nan 8.150 nan 0.000 0.444 228 K N -0.180 120.054 120.400 -0.278 0.000 2.097 228 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 228 K C 2.260 178.686 176.600 -0.290 0.000 1.049 228 K CA 1.099 57.258 56.287 -0.213 0.000 0.933 228 K CB -0.311 32.129 32.500 -0.100 0.000 0.717 228 K HN 0.429 nan 8.250 nan 0.000 0.442 229 A N 1.033 123.570 122.820 -0.473 0.000 1.930 229 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 229 A C 2.375 179.727 177.584 -0.386 0.000 1.175 229 A CA 1.240 52.923 52.037 -0.589 0.000 0.627 229 A CB -0.567 17.609 19.000 -1.373 0.000 0.815 229 A HN 0.061 nan 8.150 nan 0.000 0.443 230 V N 0.088 119.777 119.914 -0.374 0.000 2.307 230 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 230 V C 2.544 178.488 176.094 -0.250 0.000 1.045 230 V CA 1.905 64.066 62.300 -0.232 0.000 1.024 230 V CB -0.738 30.881 31.823 -0.339 0.000 0.651 230 V HN 0.570 nan 8.190 nan 0.000 0.449 231 L N -0.210 120.781 121.223 -0.386 0.000 2.131 231 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 231 L C 2.341 179.031 176.870 -0.299 0.000 1.092 231 L CA 1.405 55.913 54.840 -0.553 0.000 0.759 231 L CB -0.695 40.624 42.059 -1.233 0.000 0.903 231 L HN 0.356 nan 8.230 nan 0.000 0.435 232 D N -0.655 119.673 120.400 -0.121 0.000 2.117 232 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 232 D C 2.181 178.477 176.300 -0.006 0.000 0.987 232 D CA 1.650 55.683 54.000 0.054 0.000 0.829 232 D CB -0.181 40.617 40.800 -0.003 0.000 0.961 232 D HN 0.261 nan 8.370 nan 0.000 0.460 233 T N 1.136 115.656 114.554 -0.058 0.000 2.737 233 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 233 T C 2.207 176.887 174.700 -0.034 0.000 1.038 233 T CA 0.397 62.474 62.100 -0.039 0.000 1.144 233 T CB -0.282 68.568 68.868 -0.029 0.000 0.866 233 T HN 0.114 nan 8.240 nan 0.000 0.434 234 L N 1.367 122.556 121.223 -0.057 0.000 2.191 234 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 234 L C 2.515 179.369 176.870 -0.026 0.000 1.103 234 L CA 1.403 56.211 54.840 -0.053 0.000 0.769 234 L CB -0.605 41.401 42.059 -0.088 0.000 0.908 234 L HN 0.464 nan 8.230 nan 0.000 0.438 235 T N -4.655 109.903 114.554 0.007 0.000 3.145 235 T HA 0.127 4.477 4.350 -0.000 0.000 0.255 235 T C 0.816 175.534 174.700 0.031 0.000 1.039 235 T CA 0.039 62.166 62.100 0.045 0.000 0.928 235 T CB -0.059 68.897 68.868 0.146 0.000 1.029 235 T HN 0.259 nan 8.240 nan 0.000 0.554 236 S N 0.000 115.707 115.700 0.012 0.000 2.498 236 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 236 S CA 0.000 58.202 58.200 0.003 0.000 1.107 236 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 236 S HN 0.000 nan 8.310 nan 0.000 0.517