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 2w09_1_A DATA FIRST_RESID 4 DATA SEQUENCE VALPRVSGGH DEHGHLEEFR TDPIGLMQRV RDELGDVGTF QLAGKQVVLL DATA SEQUENCE SGSHANEFFF RAGDDDLDQA KAYPFMTPIF GXXXXXXXXX XXXXXXXHNA DATA SEQUENCE ALRGEQMKGH AATIEDQVRR MIADWGEAGE IDLLDFFAEL TIYTSSACLI DATA SEQUENCE GKKFRDQLDG RFAKLYHELE RGTDPLAYVD PYLPIESFRR RDEARNGLVA DATA SEQUENCE LVADIMNGRI ANPXXXXXXR DMLDVLIAVK AXXXTPRFSA DEITGMFISM DATA SEQUENCE MFAGHHTSSG TASWTLIELM RHRDAYAAVI DELDELYGDG RSVSFHALRQ DATA SEQUENCE IPQLENVLKE TLRLHPPLII LMRVAKGEFE VQGHRIHEGD LVAASPAISN DATA SEQUENCE RIPEDFPDPH DFVPARYEQP RQEDLLNRWT WIPFGAGRHR CVGAAFAIMQ DATA SEQUENCE IKAIFSVLLR EYEFEMAQPP ESYRNDHSKM VVQLAQPAAV RYRRRT 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.145 176.094 0.084 0.000 1.182 4 V CA 0.000 62.337 62.300 0.061 0.000 1.235 4 V CB 0.000 31.860 31.823 0.061 0.000 1.184 5 A N 5.533 128.392 122.820 0.065 0.000 2.440 5 A HA 0.754 5.073 4.320 -0.001 0.000 0.251 5 A C -0.028 177.604 177.584 0.079 0.000 1.089 5 A CA -0.110 51.967 52.037 0.067 0.000 0.779 5 A CB 0.329 19.358 19.000 0.048 0.000 1.022 5 A HN 0.843 nan 8.150 nan 0.000 0.492 6 L N 2.579 123.845 121.223 0.072 0.000 2.464 6 L HA 0.237 4.576 4.340 -0.001 0.000 0.264 6 L C -1.755 175.128 176.870 0.022 0.000 1.199 6 L CA -1.587 53.286 54.840 0.055 0.000 0.818 6 L CB 0.075 42.133 42.059 -0.000 0.000 1.102 6 L HN 0.480 nan 8.230 nan 0.000 0.473 7 P HA 0.104 nan 4.420 nan 0.000 0.265 7 P C -1.080 176.207 177.300 -0.021 0.000 1.193 7 P CA -0.089 63.003 63.100 -0.013 0.000 0.765 7 P CB 0.556 32.222 31.700 -0.057 0.000 0.823 8 R N 2.949 123.456 120.500 0.011 0.000 2.561 8 R HA 0.526 4.865 4.340 -0.001 0.000 0.297 8 R C -1.336 174.987 176.300 0.037 0.000 0.969 8 R CA -1.086 55.030 56.100 0.028 0.000 0.879 8 R CB 0.991 31.328 30.300 0.062 0.000 1.178 8 R HN 0.265 nan 8.270 nan 0.000 0.445 9 V N 4.313 124.233 119.914 0.009 0.000 2.924 9 V HA 0.294 4.414 4.120 -0.001 0.000 0.305 9 V C 0.017 176.165 176.094 0.089 0.000 1.073 9 V CA 0.438 62.735 62.300 -0.005 0.000 1.098 9 V CB 1.158 32.913 31.823 -0.112 0.000 1.000 9 V HN 1.104 nan 8.190 nan 0.000 0.484 10 S N 4.947 120.692 115.700 0.074 0.000 2.580 10 S HA 0.551 5.020 4.470 -0.001 0.000 0.261 10 S C 0.680 175.343 174.600 0.106 0.000 1.366 10 S CA 0.109 58.363 58.200 0.089 0.000 0.996 10 S CB 0.504 63.745 63.200 0.068 0.000 0.902 10 S HN 2.599 nan 8.310 nan 0.000 0.566 11 G N 0.585 109.343 108.800 -0.070 0.000 2.553 11 G HA2 0.316 4.276 3.960 -0.001 0.000 0.242 11 G HA3 0.316 4.276 3.960 -0.001 0.000 0.242 11 G C 0.734 175.148 174.900 -0.810 0.000 1.277 11 G CA 0.370 45.279 45.100 -0.319 0.000 0.910 11 G HN 2.565 nan 8.290 nan 0.000 0.576 12 G N -2.034 106.330 108.800 -0.727 0.000 2.225 12 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.264 12 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.264 12 G C 0.557 175.079 174.900 -0.630 0.000 1.060 12 G CA 1.363 45.835 45.100 -1.046 0.000 0.833 12 G HN 1.625 nan 8.290 nan 0.000 0.498 13 H N 0.075 119.039 119.070 -0.178 0.000 2.539 13 H HA 0.124 4.679 4.556 -0.001 0.000 0.269 13 H C 1.089 176.365 175.328 -0.087 0.000 0.980 13 H CA 0.288 56.271 56.048 -0.108 0.000 1.152 13 H CB 0.416 30.138 29.762 -0.067 0.000 1.407 13 H HN 0.483 nan 8.280 nan 0.000 0.564 14 D N 1.006 121.393 120.400 -0.022 0.000 2.369 14 D HA -0.078 4.562 4.640 -0.001 0.000 0.241 14 D C 1.539 177.805 176.300 -0.056 0.000 1.271 14 D CA -0.002 53.983 54.000 -0.025 0.000 0.942 14 D CB 1.384 42.173 40.800 -0.019 0.000 1.129 14 D HN 0.277 nan 8.370 nan 0.000 0.476 15 E N -0.078 120.062 120.200 -0.100 0.000 2.097 15 E HA -0.242 4.107 4.350 -0.001 0.000 0.196 15 E C 0.343 176.764 176.600 -0.297 0.000 1.000 15 E CA 1.342 57.608 56.400 -0.224 0.000 0.804 15 E CB -0.013 29.492 29.700 -0.326 0.000 0.740 15 E HN 0.452 nan 8.360 nan 0.000 0.454 16 H N -0.904 118.171 119.070 0.007 0.000 2.503 16 H HA 0.287 4.842 4.556 -0.001 0.000 0.296 16 H C 0.720 176.048 175.328 -0.001 0.000 1.097 16 H CA -0.283 55.774 56.048 0.014 0.000 1.055 16 H CB 0.733 30.517 29.762 0.037 0.000 1.580 16 H HN 0.439 nan 8.280 nan 0.000 0.546 17 G N 0.929 109.743 108.800 0.023 0.000 2.574 17 G HA2 -0.442 3.518 3.960 -0.001 0.000 0.301 17 G HA3 -0.442 3.518 3.960 -0.001 0.000 0.301 17 G C 0.538 175.345 174.900 -0.155 0.000 1.166 17 G CA 0.697 45.740 45.100 -0.095 0.000 0.971 17 G HN 0.609 nan 8.290 nan 0.000 0.542 18 H N 1.054 120.154 119.070 0.049 0.000 2.539 18 H HA 0.366 4.922 4.556 -0.001 0.000 0.267 18 H C 2.189 177.572 175.328 0.091 0.000 0.982 18 H CA 0.329 56.406 56.048 0.048 0.000 1.146 18 H CB 0.304 30.109 29.762 0.071 0.000 1.382 18 H HN 0.303 nan 8.280 nan 0.000 0.577 19 L N 1.060 122.401 121.223 0.197 0.000 2.042 19 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 19 L C 2.042 179.042 176.870 0.217 0.000 1.076 19 L CA 1.952 56.920 54.840 0.213 0.000 0.749 19 L CB -0.262 41.904 42.059 0.179 0.000 0.893 19 L HN 0.301 nan 8.230 nan 0.000 0.432 20 E N 0.394 120.685 120.200 0.152 0.000 2.110 20 E HA -0.270 4.080 4.350 -0.001 0.000 0.193 20 E C 2.115 178.771 176.600 0.093 0.000 0.988 20 E CA 1.693 58.157 56.400 0.108 0.000 0.804 20 E CB -0.119 29.623 29.700 0.071 0.000 0.745 20 E HN 0.563 nan 8.360 nan 0.000 0.458 21 E N -1.340 118.921 120.200 0.102 0.000 2.107 21 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 21 E C 1.693 178.344 176.600 0.085 0.000 0.982 21 E CA 0.628 57.072 56.400 0.073 0.000 0.809 21 E CB -0.248 29.495 29.700 0.071 0.000 0.756 21 E HN 0.332 nan 8.360 nan 0.000 0.459 22 F N 1.574 121.496 119.950 -0.046 0.000 2.269 22 F HA -0.039 4.487 4.527 -0.001 0.000 0.301 22 F C 1.938 177.724 175.800 -0.024 0.000 1.082 22 F CA 1.170 59.123 58.000 -0.079 0.000 1.360 22 F CB 0.136 39.109 39.000 -0.044 0.000 1.041 22 F HN -0.111 nan 8.300 nan 0.000 0.512 23 R N -1.582 118.949 120.500 0.052 0.000 2.299 23 R HA -0.000 4.339 4.340 -0.001 0.000 0.197 23 R C 1.827 178.105 176.300 -0.037 0.000 0.971 23 R CA 1.195 57.282 56.100 -0.022 0.000 1.030 23 R CB -0.149 30.175 30.300 0.040 0.000 0.932 23 R HN 0.231 nan 8.270 nan 0.000 0.477 24 T N -1.353 113.183 114.554 -0.030 0.000 3.028 24 T HA -0.002 4.348 4.350 -0.001 0.000 0.250 24 T C -0.516 174.167 174.700 -0.027 0.000 0.979 24 T CA 0.257 62.348 62.100 -0.015 0.000 1.004 24 T CB 0.504 69.373 68.868 0.002 0.000 1.120 24 T HN 0.042 nan 8.240 nan 0.000 0.482 25 D N 0.879 121.239 120.400 -0.066 0.000 3.118 25 D HA 0.303 4.942 4.640 -0.001 0.000 0.259 25 D C -1.995 174.204 176.300 -0.167 0.000 1.292 25 D CA -1.267 52.673 54.000 -0.099 0.000 0.784 25 D CB 1.341 42.106 40.800 -0.058 0.000 1.413 25 D HN 0.096 nan 8.370 nan 0.000 0.583 26 P HA -0.091 nan 4.420 nan 0.000 0.218 26 P C 1.776 178.928 177.300 -0.246 0.000 1.149 26 P CA 0.625 63.533 63.100 -0.320 0.000 0.817 26 P CB 0.706 32.011 31.700 -0.658 0.000 0.785 27 I N -0.055 120.331 120.570 -0.307 0.000 2.252 27 I HA -0.128 4.041 4.170 -0.001 0.000 0.245 27 I C 2.758 178.783 176.117 -0.154 0.000 1.102 27 I CA 1.674 62.835 61.300 -0.231 0.000 1.385 27 I CB -1.351 36.487 38.000 -0.270 0.000 1.064 27 I HN -0.010 nan 8.210 nan 0.000 0.414 28 G N 1.352 110.068 108.800 -0.140 0.000 2.440 28 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.218 28 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.218 28 G C 1.662 176.497 174.900 -0.108 0.000 1.154 28 G CA 0.775 45.816 45.100 -0.098 0.000 0.767 28 G HN 0.257 nan 8.290 nan 0.000 0.552 29 L N 0.529 121.668 121.223 -0.141 0.000 1.989 29 L HA -0.018 4.321 4.340 -0.001 0.000 0.211 29 L C 2.876 179.598 176.870 -0.246 0.000 1.071 29 L CA 1.930 56.648 54.840 -0.205 0.000 0.749 29 L CB -0.443 41.452 42.059 -0.275 0.000 0.890 29 L HN 0.265 nan 8.230 nan 0.000 0.431 30 M N -1.400 118.065 119.600 -0.225 0.000 2.159 30 M HA -0.213 4.266 4.480 -0.001 0.000 0.263 30 M C 2.313 178.559 176.300 -0.089 0.000 1.063 30 M CA 1.770 56.973 55.300 -0.161 0.000 1.110 30 M CB -0.424 32.118 32.600 -0.098 0.000 1.374 30 M HN 0.346 nan 8.290 nan 0.000 0.411 31 Q N 0.747 120.501 119.800 -0.077 0.000 2.124 31 Q HA -0.137 4.202 4.340 -0.001 0.000 0.202 31 Q C 1.918 177.895 176.000 -0.037 0.000 0.977 31 Q CA 1.714 57.493 55.803 -0.040 0.000 0.850 31 Q CB -0.215 28.505 28.738 -0.029 0.000 0.901 31 Q HN 0.345 nan 8.270 nan 0.000 0.429 32 R N -1.027 119.438 120.500 -0.059 0.000 2.092 32 R HA -0.076 4.263 4.340 -0.001 0.000 0.231 32 R C 1.982 178.254 176.300 -0.047 0.000 1.119 32 R CA 1.220 57.291 56.100 -0.047 0.000 0.970 32 R CB -0.129 30.139 30.300 -0.053 0.000 0.864 32 R HN 0.209 nan 8.270 nan 0.000 0.440 33 V N 0.850 120.723 119.914 -0.069 0.000 2.287 33 V HA -0.293 3.826 4.120 -0.001 0.000 0.248 33 V C 2.504 178.583 176.094 -0.024 0.000 1.053 33 V CA 2.298 64.570 62.300 -0.047 0.000 1.027 33 V CB -0.594 31.213 31.823 -0.027 0.000 0.646 33 V HN 0.402 nan 8.190 nan 0.000 0.447 34 R N -0.167 120.322 120.500 -0.017 0.000 2.073 34 R HA -0.146 4.193 4.340 -0.001 0.000 0.229 34 R C 2.079 178.381 176.300 0.004 0.000 1.120 34 R CA 1.776 57.875 56.100 -0.002 0.000 0.967 34 R CB -0.322 29.984 30.300 0.009 0.000 0.862 34 R HN 0.498 nan 8.270 nan 0.000 0.436 35 D N 0.499 120.900 120.400 0.002 0.000 2.123 35 D HA -0.165 4.474 4.640 -0.001 0.000 0.196 35 D C 1.603 177.907 176.300 0.008 0.000 0.992 35 D CA 1.459 55.465 54.000 0.008 0.000 0.833 35 D CB -0.059 40.745 40.800 0.007 0.000 0.954 35 D HN 0.444 nan 8.370 nan 0.000 0.455 36 E N -0.587 119.614 120.200 0.002 0.000 2.170 36 E HA 0.070 4.419 4.350 -0.001 0.000 0.191 36 E C 1.872 178.476 176.600 0.006 0.000 0.981 36 E CA 0.401 56.804 56.400 0.006 0.000 0.830 36 E CB 0.366 30.069 29.700 0.005 0.000 0.775 36 E HN 0.257 nan 8.360 nan 0.000 0.470 37 L N -1.349 119.872 121.223 -0.002 0.000 2.717 37 L HA 0.322 4.661 4.340 -0.001 0.000 0.239 37 L C 1.143 178.009 176.870 -0.007 0.000 1.086 37 L CA 0.165 54.999 54.840 -0.009 0.000 0.897 37 L CB 0.605 42.643 42.059 -0.034 0.000 1.214 37 L HN 0.195 nan 8.230 nan 0.000 0.508 38 G N 1.003 109.803 108.800 0.000 0.000 2.481 38 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.230 38 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.230 38 G C -0.153 174.750 174.900 0.006 0.000 1.210 38 G CA 0.108 45.215 45.100 0.011 0.000 0.936 38 G HN 0.093 nan 8.290 nan 0.000 0.583 39 D N -0.159 120.254 120.400 0.021 0.000 2.269 39 D HA 0.201 4.840 4.640 -0.001 0.000 0.208 39 D C 1.035 177.335 176.300 -0.001 0.000 0.963 39 D CA 1.582 55.602 54.000 0.034 0.000 0.864 39 D CB 0.262 41.107 40.800 0.075 0.000 0.936 39 D HN 0.463 nan 8.370 nan 0.000 0.505 40 V N 0.051 119.926 119.914 -0.066 0.000 2.482 40 V HA 0.732 4.851 4.120 -0.001 0.000 0.295 40 V C 0.387 176.344 176.094 -0.229 0.000 1.026 40 V CA -0.733 61.471 62.300 -0.159 0.000 0.856 40 V CB 1.855 33.521 31.823 -0.261 0.000 1.001 40 V HN 0.096 nan 8.190 nan 0.000 0.424 41 G N 2.388 111.101 108.800 -0.145 0.000 2.684 41 G HA2 0.817 4.777 3.960 -0.001 0.000 0.290 41 G HA3 0.817 4.777 3.960 -0.001 0.000 0.290 41 G C -0.759 174.090 174.900 -0.085 0.000 1.425 41 G CA -0.071 44.957 45.100 -0.120 0.000 0.822 41 G HN 0.781 nan 8.290 nan 0.000 0.482 42 T N -1.946 112.566 114.554 -0.070 0.000 2.916 42 T HA 0.843 5.192 4.350 -0.001 0.000 0.292 42 T C -0.706 173.974 174.700 -0.033 0.000 1.055 42 T CA -0.787 61.253 62.100 -0.100 0.000 1.009 42 T CB 1.829 70.625 68.868 -0.120 0.000 1.118 42 T HN 1.391 nan 8.240 nan 0.000 0.497 43 F N -0.862 118.952 119.950 -0.226 0.000 2.650 43 F HA 0.847 5.373 4.527 -0.001 0.000 0.320 43 F C -0.867 174.865 175.800 -0.113 0.000 1.091 43 F CA -1.433 56.372 58.000 -0.325 0.000 0.962 43 F CB 1.844 40.481 39.000 -0.604 0.000 1.363 43 F HN 0.678 nan 8.300 nan 0.000 0.482 44 Q N 1.570 121.563 119.800 0.322 0.000 2.333 44 Q HA 0.572 4.912 4.340 -0.001 0.000 0.265 44 Q C -2.003 174.057 176.000 0.100 0.000 0.989 44 Q CA -0.528 55.340 55.803 0.110 0.000 0.842 44 Q CB 1.699 30.524 28.738 0.145 0.000 1.262 44 Q HN 0.751 nan 8.270 nan 0.000 0.451 45 L N 4.269 125.427 121.223 -0.108 0.000 2.313 45 L HA 0.695 5.034 4.340 -0.001 0.000 0.273 45 L C 0.445 177.278 176.870 -0.061 0.000 1.028 45 L CA 0.874 55.636 54.840 -0.130 0.000 0.871 45 L CB -0.162 41.628 42.059 -0.448 0.000 1.242 45 L HN 0.921 nan 8.230 nan 0.000 0.434 46 A N 3.937 126.784 122.820 0.045 0.000 5.308 46 A HA -0.286 4.034 4.320 -0.001 0.000 0.321 46 A C 1.461 179.083 177.584 0.063 0.000 1.849 46 A CA 1.334 53.424 52.037 0.087 0.000 0.713 46 A CB -1.797 17.177 19.000 -0.044 0.000 1.360 46 A HN 1.016 nan 8.150 nan 0.000 0.384 47 G N -0.647 108.181 108.800 0.046 0.000 3.026 47 G HA2 0.361 4.321 3.960 -0.001 0.000 0.208 47 G HA3 0.361 4.321 3.960 -0.001 0.000 0.208 47 G C 0.371 175.271 174.900 -0.001 0.000 1.169 47 G CA 1.111 46.231 45.100 0.034 0.000 0.788 47 G HN 0.584 nan 8.290 nan 0.000 0.533 48 K N 0.636 121.012 120.400 -0.041 0.000 2.292 48 K HA 0.310 4.629 4.320 -0.001 0.000 0.257 48 K C -0.575 175.926 176.600 -0.165 0.000 0.940 48 K CA -0.618 55.614 56.287 -0.092 0.000 0.811 48 K CB 2.259 34.691 32.500 -0.113 0.000 1.120 48 K HN 0.251 nan 8.250 nan 0.000 0.428 49 Q N 1.759 121.468 119.800 -0.151 0.000 2.288 49 Q HA 0.286 4.625 4.340 -0.001 0.000 0.254 49 Q C -0.933 174.864 176.000 -0.337 0.000 0.932 49 Q CA -0.467 55.210 55.803 -0.211 0.000 0.902 49 Q CB 0.996 29.663 28.738 -0.118 0.000 1.203 49 Q HN 0.275 nan 8.270 nan 0.000 0.415 50 V N 4.811 124.372 119.914 -0.588 0.000 2.384 50 V HA 0.263 4.382 4.120 -0.001 0.000 0.287 50 V C -0.470 175.312 176.094 -0.521 0.000 1.020 50 V CA -0.791 61.090 62.300 -0.698 0.000 0.850 50 V CB 1.709 32.732 31.823 -1.333 0.000 0.987 50 V HN 0.620 nan 8.190 nan 0.000 0.436 51 V N 6.533 126.281 119.914 -0.276 0.000 2.339 51 V HA 0.273 4.392 4.120 -0.001 0.000 0.261 51 V C -0.077 175.945 176.094 -0.121 0.000 1.058 51 V CA -0.306 61.897 62.300 -0.161 0.000 0.897 51 V CB 1.067 32.846 31.823 -0.072 0.000 1.052 51 V HN 0.643 nan 8.190 nan 0.000 0.480 52 L N 7.451 128.616 121.223 -0.097 0.000 2.260 52 L HA 0.506 4.845 4.340 -0.001 0.000 0.289 52 L C -0.343 176.502 176.870 -0.042 0.000 1.057 52 L CA 0.391 55.213 54.840 -0.030 0.000 0.811 52 L CB 0.670 42.791 42.059 0.104 0.000 1.184 52 L HN 0.465 nan 8.230 nan 0.000 0.429 53 L N 5.009 126.189 121.223 -0.071 0.000 2.325 53 L HA 0.743 5.082 4.340 -0.001 0.000 0.279 53 L C 0.064 176.908 176.870 -0.045 0.000 1.054 53 L CA -0.401 54.413 54.840 -0.044 0.000 0.804 53 L CB 1.622 43.671 42.059 -0.015 0.000 1.200 53 L HN 0.826 nan 8.230 nan 0.000 0.436 54 S N 0.603 116.312 115.700 0.015 0.000 2.570 54 S HA 0.913 5.382 4.470 -0.001 0.000 0.270 54 S C -0.406 174.249 174.600 0.093 0.000 1.149 54 S CA -0.245 57.983 58.200 0.048 0.000 0.837 54 S CB 1.938 65.160 63.200 0.038 0.000 1.124 54 S HN 1.297 nan 8.310 nan 0.000 0.465 55 G N 1.015 109.892 108.800 0.129 0.000 2.730 55 G HA2 0.042 4.002 3.960 -0.001 0.000 0.686 55 G HA3 0.042 4.002 3.960 -0.001 0.000 0.686 55 G C 0.608 175.630 174.900 0.205 0.000 1.343 55 G CA 0.378 45.569 45.100 0.152 0.000 0.826 55 G HN 2.105 nan 8.290 nan 0.000 0.582 56 S N -0.366 115.468 115.700 0.224 0.000 2.368 56 S HA -0.224 4.245 4.470 -0.001 0.000 0.225 56 S C 1.843 176.575 174.600 0.220 0.000 1.030 56 S CA 2.323 60.701 58.200 0.296 0.000 0.999 56 S CB -0.445 62.935 63.200 0.301 0.000 0.844 56 S HN 1.543 nan 8.310 nan 0.000 0.459 57 H N 2.116 121.240 119.070 0.090 0.000 2.293 57 H HA 0.170 4.725 4.556 -0.001 0.000 0.300 57 H C 2.254 177.601 175.328 0.031 0.000 1.082 57 H CA 1.904 57.971 56.048 0.031 0.000 1.308 57 H CB -0.807 28.975 29.762 0.033 0.000 1.375 57 H HN 0.482 nan 8.280 nan 0.000 0.495 58 A N 0.295 123.190 122.820 0.125 0.000 1.930 58 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 58 A C 2.191 179.841 177.584 0.110 0.000 1.175 58 A CA 1.511 53.600 52.037 0.087 0.000 0.627 58 A CB -0.370 18.702 19.000 0.120 0.000 0.815 58 A HN 0.519 nan 8.150 nan 0.000 0.443 59 N N -0.064 118.715 118.700 0.132 0.000 2.166 59 N HA -0.158 4.581 4.740 -0.001 0.000 0.186 59 N C 1.674 177.285 175.510 0.169 0.000 1.019 59 N CA 1.461 54.646 53.050 0.225 0.000 0.856 59 N CB -0.380 38.375 38.487 0.447 0.000 0.993 59 N HN 0.761 nan 8.380 nan 0.000 0.426 60 E N -0.259 119.825 120.200 -0.193 0.000 2.085 60 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 60 E C 1.787 178.095 176.600 -0.487 0.000 0.994 60 E CA 0.825 56.697 56.400 -0.880 0.000 0.801 60 E CB -0.199 28.780 29.700 -1.201 0.000 0.743 60 E HN 0.326 nan 8.360 nan 0.000 0.453 61 F N 0.653 120.368 119.950 -0.392 0.000 2.095 61 F HA -0.226 4.300 4.527 -0.001 0.000 0.298 61 F C 1.940 177.597 175.800 -0.239 0.000 1.104 61 F CA 1.796 59.613 58.000 -0.305 0.000 1.232 61 F CB -0.751 38.088 39.000 -0.269 0.000 0.987 61 F HN 0.125 nan 8.300 nan 0.000 0.475 62 F N -0.015 119.606 119.950 -0.549 0.000 2.095 62 F HA -0.228 4.298 4.527 -0.001 0.000 0.298 62 F C 1.842 177.271 175.800 -0.618 0.000 1.104 62 F CA 1.977 59.552 58.000 -0.708 0.000 1.232 62 F CB -0.741 37.886 39.000 -0.622 0.000 0.987 62 F HN -0.017 nan 8.300 nan 0.000 0.475 63 F N 0.109 120.052 119.950 -0.012 0.000 2.615 63 F HA 0.126 4.652 4.527 -0.001 0.000 0.297 63 F C 2.173 177.946 175.800 -0.046 0.000 1.124 63 F CA 0.710 58.756 58.000 0.077 0.000 1.451 63 F CB -0.476 38.767 39.000 0.406 0.000 1.103 63 F HN -0.165 nan 8.300 nan 0.000 0.569 64 R N 0.055 120.503 120.500 -0.087 0.000 2.297 64 R HA 0.296 4.635 4.340 -0.001 0.000 0.197 64 R C 0.709 176.888 176.300 -0.201 0.000 0.943 64 R CA 0.206 56.246 56.100 -0.100 0.000 1.038 64 R CB -0.079 30.120 30.300 -0.168 0.000 0.957 64 R HN 0.068 nan 8.270 nan 0.000 0.484 65 A N 1.342 123.925 122.820 -0.394 0.000 2.454 65 A HA 0.443 4.763 4.320 -0.001 0.000 0.260 65 A C 0.563 178.002 177.584 -0.242 0.000 1.106 65 A CA -0.084 51.689 52.037 -0.440 0.000 0.780 65 A CB 0.439 18.961 19.000 -0.797 0.000 1.044 65 A HN 0.284 nan 8.150 nan 0.000 0.498 66 G N 0.572 109.280 108.800 -0.153 0.000 2.580 66 G HA2 0.349 4.309 3.960 -0.001 0.000 0.278 66 G HA3 0.349 4.309 3.960 -0.001 0.000 0.278 66 G C 0.225 175.102 174.900 -0.037 0.000 1.212 66 G CA -0.262 44.790 45.100 -0.079 0.000 0.939 66 G HN 0.648 nan 8.290 nan 0.000 0.513 67 D N -0.414 120.003 120.400 0.028 0.000 2.309 67 D HA -0.042 4.597 4.640 -0.001 0.000 0.212 67 D C 2.299 178.617 176.300 0.029 0.000 0.968 67 D CA 1.294 55.327 54.000 0.053 0.000 0.882 67 D CB -0.233 40.620 40.800 0.089 0.000 0.918 67 D HN 0.626 nan 8.370 nan 0.000 0.503 68 D N 0.540 120.956 120.400 0.026 0.000 2.219 68 D HA -0.139 4.501 4.640 -0.001 0.000 0.205 68 D C 1.620 177.973 176.300 0.089 0.000 0.970 68 D CA 1.048 55.076 54.000 0.048 0.000 0.851 68 D CB -0.039 40.788 40.800 0.044 0.000 0.943 68 D HN 0.087 nan 8.370 nan 0.000 0.488 69 D N -1.048 119.392 120.400 0.067 0.000 2.414 69 D HA 0.211 4.850 4.640 -0.001 0.000 0.237 69 D C 0.537 176.854 176.300 0.027 0.000 0.975 69 D CA 0.211 54.305 54.000 0.157 0.000 0.917 69 D CB 0.491 41.262 40.800 -0.048 0.000 1.061 69 D HN 0.335 nan 8.370 nan 0.000 0.480 70 L N 1.701 122.824 121.223 -0.166 0.000 2.342 70 L HA 0.304 4.643 4.340 -0.001 0.000 0.276 70 L C -0.638 176.153 176.870 -0.132 0.000 0.997 70 L CA -0.742 53.976 54.840 -0.204 0.000 0.838 70 L CB 2.191 43.967 42.059 -0.471 0.000 1.224 70 L HN -0.183 nan 8.230 nan 0.000 0.416 71 D N 2.770 123.136 120.400 -0.057 0.000 2.317 71 D HA 0.067 4.706 4.640 -0.001 0.000 0.234 71 D C 0.549 176.831 176.300 -0.031 0.000 1.112 71 D CA 0.010 53.998 54.000 -0.019 0.000 0.840 71 D CB 1.813 42.622 40.800 0.015 0.000 1.078 71 D HN 0.568 nan 8.370 nan 0.000 0.486 72 Q N 3.429 123.195 119.800 -0.055 0.000 2.049 72 Q HA -0.127 4.213 4.340 -0.001 0.000 0.198 72 Q C 1.604 177.677 176.000 0.122 0.000 0.971 72 Q CA 1.219 57.006 55.803 -0.027 0.000 0.833 72 Q CB 0.095 28.682 28.738 -0.252 0.000 0.896 72 Q HN 0.586 nan 8.270 nan 0.000 0.434 73 A N 2.193 125.057 122.820 0.074 0.000 1.908 73 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 73 A C 1.897 179.528 177.584 0.078 0.000 1.181 73 A CA 1.900 53.991 52.037 0.089 0.000 0.627 73 A CB -0.568 18.462 19.000 0.050 0.000 0.818 73 A HN 0.540 nan 8.150 nan 0.000 0.445 74 K N -0.295 120.130 120.400 0.041 0.000 2.555 74 K HA 0.257 4.576 4.320 -0.001 0.000 0.193 74 K C 1.370 177.956 176.600 -0.023 0.000 1.032 74 K CA 0.865 57.158 56.287 0.010 0.000 1.004 74 K CB -0.259 32.249 32.500 0.012 0.000 0.804 74 K HN 0.302 nan 8.250 nan 0.000 0.496 75 A N 0.566 123.365 122.820 -0.035 0.000 2.251 75 A HA 0.083 4.402 4.320 -0.001 0.000 0.209 75 A C 0.071 177.349 177.584 -0.510 0.000 1.187 75 A CA 0.016 51.934 52.037 -0.198 0.000 0.823 75 A CB -0.209 18.648 19.000 -0.239 0.000 0.846 75 A HN 0.377 nan 8.150 nan 0.000 0.486 76 Y N -0.463 119.673 120.300 -0.273 0.000 2.578 76 Y HA 0.231 4.780 4.550 -0.001 0.000 0.317 76 Y C -1.499 173.937 175.900 -0.773 0.000 0.940 76 Y CA -1.705 55.947 58.100 -0.747 0.000 1.174 76 Y CB 0.629 38.752 38.460 -0.561 0.000 1.198 76 Y HN 0.246 nan 8.280 nan 0.000 0.597 77 P HA -0.199 nan 4.420 nan 0.000 0.222 77 P C 1.263 178.374 177.300 -0.315 0.000 1.147 77 P CA 1.266 64.209 63.100 -0.262 0.000 0.790 77 P CB -0.222 31.410 31.700 -0.114 0.000 0.780 78 F N -2.372 117.418 119.950 -0.266 0.000 2.641 78 F HA 0.099 4.625 4.527 -0.001 0.000 0.298 78 F C 1.755 177.312 175.800 -0.404 0.000 1.146 78 F CA 0.365 58.138 58.000 -0.378 0.000 1.464 78 F CB -1.386 37.354 39.000 -0.434 0.000 1.101 78 F HN -0.271 nan 8.300 nan 0.000 0.585 79 M N 0.437 119.684 119.600 -0.588 0.000 2.595 79 M HA 0.004 4.483 4.480 -0.001 0.000 0.248 79 M C 1.669 177.578 176.300 -0.651 0.000 1.119 79 M CA 0.644 55.513 55.300 -0.718 0.000 1.079 79 M CB -1.440 30.599 32.600 -0.935 0.000 1.472 79 M HN 0.184 nan 8.290 nan 0.000 0.501 80 T N 1.899 116.234 114.554 -0.366 0.000 2.746 80 T HA -0.058 4.291 4.350 -0.001 0.000 0.267 80 T C -0.752 173.856 174.700 -0.154 0.000 1.039 80 T CA 1.349 63.340 62.100 -0.183 0.000 1.142 80 T CB -1.196 67.633 68.868 -0.065 0.000 0.866 80 T HN 0.274 nan 8.240 nan 0.000 0.444 81 P HA 0.142 nan 4.420 nan 0.000 0.226 81 P C 1.290 178.482 177.300 -0.181 0.000 1.153 81 P CA 0.725 63.730 63.100 -0.158 0.000 0.777 81 P CB -0.155 31.364 31.700 -0.301 0.000 0.794 82 I N -1.783 118.602 120.570 -0.308 0.000 2.296 82 I HA -0.134 4.036 4.170 -0.001 0.000 0.242 82 I C 2.151 178.192 176.117 -0.127 0.000 1.087 82 I CA 1.109 62.225 61.300 -0.306 0.000 1.393 82 I CB -0.552 37.123 38.000 -0.543 0.000 1.093 82 I HN -0.210 nan 8.210 nan 0.000 0.421 83 F N 1.380 121.233 119.950 -0.160 0.000 2.206 83 F HA 0.194 4.720 4.527 -0.001 0.000 0.298 83 F C 1.630 177.390 175.800 -0.067 0.000 1.090 83 F CA 0.656 58.592 58.000 -0.105 0.000 1.323 83 F CB -1.459 37.472 39.000 -0.115 0.000 1.028 83 F HN 0.193 nan 8.300 nan 0.000 0.492 102 N N 1.572 120.244 118.700 -0.047 0.000 2.111 102 N HA -0.106 4.633 4.740 -0.001 0.000 0.197 102 N C 2.813 178.311 175.510 -0.021 0.000 1.011 102 N CA 4.146 57.177 53.050 -0.031 0.000 0.880 102 N CB -1.194 37.281 38.487 -0.021 0.000 1.031 102 N HN 1.754 nan 8.380 nan 0.000 0.444 103 A N 0.259 123.067 122.820 -0.020 0.000 1.909 103 A HA 0.080 4.399 4.320 -0.001 0.000 0.221 103 A C 2.777 180.371 177.584 0.017 0.000 1.223 103 A CA 3.193 55.227 52.037 -0.006 0.000 0.658 103 A CB -1.222 17.771 19.000 -0.010 0.000 0.831 103 A HN 1.522 nan 8.150 nan 0.000 0.462 104 A N -1.397 121.430 122.820 0.012 0.000 2.119 104 A HA 0.304 4.623 4.320 -0.001 0.000 0.216 104 A C 1.785 179.465 177.584 0.160 0.000 1.152 104 A CA 0.995 53.094 52.037 0.103 0.000 0.708 104 A CB -0.350 18.630 19.000 -0.034 0.000 0.805 104 A HN 0.474 nan 8.150 nan 0.000 0.460 105 L N -0.454 120.789 121.223 0.034 0.000 2.628 105 L HA 0.141 4.481 4.340 -0.001 0.000 0.229 105 L C 0.649 177.561 176.870 0.070 0.000 1.137 105 L CA -0.348 54.522 54.840 0.051 0.000 0.909 105 L CB -0.120 41.926 42.059 -0.022 0.000 1.137 105 L HN 0.232 nan 8.230 nan 0.000 0.470 106 R N 0.197 120.728 120.500 0.052 0.000 2.623 106 R HA 0.033 4.373 4.340 -0.001 0.000 0.271 106 R C 1.452 177.769 176.300 0.028 0.000 1.043 106 R CA 0.440 56.555 56.100 0.026 0.000 1.083 106 R CB 0.706 31.009 30.300 0.006 0.000 0.974 106 R HN 0.134 nan 8.270 nan 0.000 0.436 107 G N 2.415 111.223 108.800 0.014 0.000 2.442 107 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.219 107 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.219 107 G C 1.101 175.993 174.900 -0.014 0.000 1.141 107 G CA 0.930 46.033 45.100 0.006 0.000 0.763 107 G HN 0.845 nan 8.290 nan 0.000 0.554 108 E N -0.268 119.918 120.200 -0.024 0.000 2.338 108 E HA -0.115 4.234 4.350 -0.001 0.000 0.197 108 E C 1.858 178.414 176.600 -0.073 0.000 1.007 108 E CA 0.743 57.120 56.400 -0.039 0.000 0.849 108 E CB -0.136 29.544 29.700 -0.032 0.000 0.774 108 E HN 0.366 nan 8.360 nan 0.000 0.506 109 Q N -0.347 119.392 119.800 -0.101 0.000 2.408 109 Q HA 0.141 4.480 4.340 -0.001 0.000 0.205 109 Q C 1.935 177.722 176.000 -0.354 0.000 0.919 109 Q CA 0.234 55.883 55.803 -0.257 0.000 0.932 109 Q CB 0.249 28.820 28.738 -0.279 0.000 1.058 109 Q HN 0.407 nan 8.270 nan 0.000 0.517 110 M N 0.402 119.941 119.600 -0.103 0.000 2.175 110 M HA -0.134 4.345 4.480 -0.001 0.000 0.264 110 M C 2.038 178.334 176.300 -0.007 0.000 1.063 110 M CA 1.283 56.596 55.300 0.022 0.000 1.119 110 M CB -0.677 31.959 32.600 0.060 0.000 1.377 110 M HN 0.113 nan 8.290 nan 0.000 0.415 111 K N 0.244 120.618 120.400 -0.042 0.000 2.026 111 K HA -0.131 4.188 4.320 -0.001 0.000 0.208 111 K C 2.010 178.601 176.600 -0.014 0.000 1.048 111 K CA 1.726 58.002 56.287 -0.018 0.000 0.929 111 K CB -0.358 32.133 32.500 -0.016 0.000 0.713 111 K HN 0.355 nan 8.250 nan 0.000 0.439 112 G N 0.318 109.075 108.800 -0.072 0.000 2.418 112 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 112 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 112 G C 1.160 176.080 174.900 0.033 0.000 1.158 112 G CA 0.843 45.911 45.100 -0.053 0.000 0.771 112 G HN 0.348 nan 8.290 nan 0.000 0.545 113 H N 0.993 120.103 119.070 0.066 0.000 2.353 113 H HA 0.023 4.578 4.556 -0.001 0.000 0.300 113 H C 2.901 178.246 175.328 0.029 0.000 1.090 113 H CA 1.076 57.179 56.048 0.093 0.000 1.327 113 H CB -0.766 29.120 29.762 0.207 0.000 1.383 113 H HN 0.378 nan 8.280 nan 0.000 0.508 114 A N 1.092 123.986 122.820 0.122 0.000 1.902 114 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 114 A C 2.704 180.325 177.584 0.062 0.000 1.181 114 A CA 1.980 54.049 52.037 0.055 0.000 0.623 114 A CB -0.897 18.131 19.000 0.045 0.000 0.818 114 A HN 0.448 nan 8.150 nan 0.000 0.443 115 A N -1.149 121.711 122.820 0.066 0.000 1.933 115 A HA -0.064 4.255 4.320 -0.001 0.000 0.218 115 A C 2.293 179.906 177.584 0.048 0.000 1.175 115 A CA 2.237 54.307 52.037 0.054 0.000 0.628 115 A CB -1.238 17.789 19.000 0.046 0.000 0.814 115 A HN 0.430 nan 8.150 nan 0.000 0.444 116 T N 0.439 115.036 114.554 0.071 0.000 2.684 116 T HA -0.120 4.229 4.350 -0.001 0.000 0.267 116 T C 1.780 176.504 174.700 0.041 0.000 1.036 116 T CA 1.647 63.787 62.100 0.066 0.000 1.148 116 T CB -0.420 68.522 68.868 0.122 0.000 0.863 116 T HN 0.442 nan 8.240 nan 0.000 0.436 117 I N 0.815 121.410 120.570 0.041 0.000 2.252 117 I HA -0.142 4.027 4.170 -0.001 0.000 0.245 117 I C 2.734 178.848 176.117 -0.005 0.000 1.102 117 I CA 1.274 62.579 61.300 0.009 0.000 1.385 117 I CB -0.380 37.605 38.000 -0.025 0.000 1.064 117 I HN 0.347 nan 8.210 nan 0.000 0.414 118 E N 1.243 121.446 120.200 0.005 0.000 2.058 118 E HA -0.336 4.013 4.350 -0.001 0.000 0.194 118 E C 1.765 178.351 176.600 -0.024 0.000 0.997 118 E CA 2.070 58.467 56.400 -0.005 0.000 0.801 118 E CB -0.065 29.644 29.700 0.015 0.000 0.746 118 E HN 0.394 nan 8.360 nan 0.000 0.450 119 D N -0.391 119.999 120.400 -0.017 0.000 2.149 119 D HA -0.188 4.451 4.640 -0.001 0.000 0.198 119 D C 2.026 178.291 176.300 -0.058 0.000 0.990 119 D CA 1.196 55.175 54.000 -0.035 0.000 0.839 119 D CB 0.062 40.847 40.800 -0.026 0.000 0.948 119 D HN 0.169 nan 8.370 nan 0.000 0.460 120 Q N -0.200 119.572 119.800 -0.047 0.000 2.123 120 Q HA -0.037 4.302 4.340 -0.001 0.000 0.199 120 Q C 2.502 178.455 176.000 -0.078 0.000 0.966 120 Q CA 0.520 56.287 55.803 -0.060 0.000 0.845 120 Q CB -0.414 28.317 28.738 -0.010 0.000 0.907 120 Q HN 0.302 nan 8.270 nan 0.000 0.439 121 V N 1.337 121.208 119.914 -0.073 0.000 2.307 121 V HA -0.237 3.882 4.120 -0.001 0.000 0.245 121 V C 2.396 178.407 176.094 -0.137 0.000 1.045 121 V CA 1.709 63.950 62.300 -0.098 0.000 1.024 121 V CB -0.504 31.274 31.823 -0.076 0.000 0.651 121 V HN 0.310 nan 8.190 nan 0.000 0.449 122 R N -0.148 120.283 120.500 -0.115 0.000 2.096 122 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 122 R C 2.528 178.743 176.300 -0.141 0.000 1.127 122 R CA 1.389 57.414 56.100 -0.125 0.000 0.968 122 R CB -0.381 29.868 30.300 -0.085 0.000 0.861 122 R HN 0.497 nan 8.270 nan 0.000 0.440 123 R N -0.051 120.373 120.500 -0.128 0.000 2.081 123 R HA -0.036 4.303 4.340 -0.001 0.000 0.235 123 R C 2.258 178.472 176.300 -0.145 0.000 1.131 123 R CA 1.212 57.230 56.100 -0.135 0.000 0.960 123 R CB -0.130 30.076 30.300 -0.157 0.000 0.856 123 R HN 0.141 nan 8.270 nan 0.000 0.436 124 M N 0.517 120.025 119.600 -0.154 0.000 2.319 124 M HA -0.050 4.430 4.480 -0.001 0.000 0.265 124 M C 2.073 178.235 176.300 -0.230 0.000 1.068 124 M CA 1.321 56.546 55.300 -0.124 0.000 1.118 124 M CB -0.204 32.292 32.600 -0.173 0.000 1.395 124 M HN 0.237 nan 8.290 nan 0.000 0.435 125 I N -3.796 116.486 120.570 -0.481 0.000 4.018 125 I HA 0.282 4.451 4.170 -0.001 0.000 0.337 125 I C 1.888 177.711 176.117 -0.490 0.000 1.327 125 I CA 0.083 60.734 61.300 -1.082 0.000 1.100 125 I CB -0.474 36.682 38.000 -1.406 0.000 1.025 125 I HN -0.056 nan 8.210 nan 0.000 0.396 126 A N 2.539 125.224 122.820 -0.226 0.000 1.978 126 A HA -0.237 4.082 4.320 -0.001 0.000 0.220 126 A C 1.734 179.322 177.584 0.007 0.000 1.170 126 A CA 2.141 54.129 52.037 -0.082 0.000 0.636 126 A CB -0.625 18.336 19.000 -0.064 0.000 0.810 126 A HN 0.728 nan 8.150 nan 0.000 0.448 127 D N -2.974 117.457 120.400 0.052 0.000 2.368 127 D HA -0.012 4.627 4.640 -0.001 0.000 0.218 127 D C 0.958 177.426 176.300 0.281 0.000 1.112 127 D CA -0.359 53.728 54.000 0.145 0.000 0.834 127 D CB -0.512 40.364 40.800 0.126 0.000 0.953 127 D HN 0.470 nan 8.370 nan 0.000 0.505 128 W N 2.155 123.429 121.300 -0.042 0.000 2.402 128 W HA 0.262 4.921 4.660 -0.002 0.000 0.286 128 W C 1.831 178.442 176.519 0.154 0.000 1.221 128 W CA 1.253 58.543 57.345 -0.092 0.000 1.257 128 W CB -0.752 28.297 29.460 -0.685 0.000 1.120 128 W HN 0.290 nan 8.180 nan 0.000 0.551 129 G N 0.260 109.290 108.800 0.383 0.000 2.601 129 G HA2 -0.449 3.510 3.960 -0.001 0.000 0.261 129 G HA3 -0.449 3.510 3.960 -0.001 0.000 0.261 129 G C 0.908 176.051 174.900 0.405 0.000 1.289 129 G CA 0.575 45.861 45.100 0.311 0.000 0.920 129 G HN 0.301 nan 8.290 nan 0.000 0.571 130 E N -0.038 120.315 120.200 0.255 0.000 2.106 130 E HA 0.302 4.651 4.350 -0.001 0.000 0.192 130 E C 1.144 177.905 176.600 0.267 0.000 0.984 130 E CA 1.806 58.334 56.400 0.213 0.000 0.806 130 E CB -0.143 29.613 29.700 0.092 0.000 0.750 130 E HN 1.699 nan 8.360 nan 0.000 0.458 131 A N -1.158 121.766 122.820 0.173 0.000 2.608 131 A HA 0.676 4.995 4.320 -0.001 0.000 0.292 131 A C -0.268 176.977 177.584 -0.565 0.000 1.066 131 A CA -0.330 51.617 52.037 -0.150 0.000 0.676 131 A CB 1.465 20.375 19.000 -0.150 0.000 1.277 131 A HN 0.321 nan 8.150 nan 0.000 0.413 132 G N -0.612 107.375 108.800 -1.355 0.000 2.325 132 G HA2 0.524 4.483 3.960 -0.001 0.000 0.295 132 G HA3 0.524 4.483 3.960 -0.001 0.000 0.295 132 G C -1.728 172.454 174.900 -1.196 0.000 1.274 132 G CA 0.088 44.499 45.100 -1.149 0.000 0.857 132 G HN 0.913 nan 8.290 nan 0.000 0.499 133 E N -0.869 118.940 120.200 -0.652 0.000 2.292 133 E HA 0.662 5.012 4.350 -0.001 0.000 0.272 133 E C -1.397 175.060 176.600 -0.238 0.000 0.881 133 E CA -0.663 55.511 56.400 -0.376 0.000 0.754 133 E CB 2.197 31.753 29.700 -0.240 0.000 1.201 133 E HN 0.396 nan 8.360 nan 0.000 0.425 134 I N 1.838 122.296 120.570 -0.186 0.000 3.002 134 I HA 0.254 4.423 4.170 -0.001 0.000 0.310 134 I C -0.628 175.448 176.117 -0.068 0.000 1.087 134 I CA -0.654 60.557 61.300 -0.148 0.000 1.017 134 I CB 1.933 39.763 38.000 -0.284 0.000 1.226 134 I HN 0.410 nan 8.210 nan 0.000 0.443 135 D N 3.754 124.144 120.400 -0.017 0.000 2.233 135 D HA 0.283 4.922 4.640 -0.001 0.000 0.240 135 D C 0.766 177.092 176.300 0.043 0.000 1.074 135 D CA -0.293 53.713 54.000 0.010 0.000 0.838 135 D CB 1.495 42.299 40.800 0.007 0.000 1.124 135 D HN 0.453 nan 8.370 nan 0.000 0.475 136 L N 3.440 124.697 121.223 0.057 0.000 2.083 136 L HA -0.183 4.156 4.340 -0.001 0.000 0.209 136 L C 2.374 179.347 176.870 0.173 0.000 1.083 136 L CA 0.679 55.594 54.840 0.125 0.000 0.752 136 L CB -0.329 41.808 42.059 0.130 0.000 0.899 136 L HN 0.468 nan 8.230 nan 0.000 0.433 137 L N -0.025 121.249 121.223 0.085 0.000 2.017 137 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 137 L C 2.097 178.985 176.870 0.031 0.000 1.073 137 L CA 1.896 56.771 54.840 0.060 0.000 0.745 137 L CB -0.654 41.408 42.059 0.005 0.000 0.894 137 L HN 0.167 nan 8.230 nan 0.000 0.432 138 D N -0.925 119.484 120.400 0.015 0.000 2.123 138 D HA -0.244 4.396 4.640 -0.001 0.000 0.196 138 D C 2.005 178.321 176.300 0.027 0.000 0.992 138 D CA 1.642 55.642 54.000 -0.001 0.000 0.833 138 D CB -0.301 40.512 40.800 0.022 0.000 0.954 138 D HN 0.406 nan 8.370 nan 0.000 0.455 139 F N 0.344 120.238 119.950 -0.094 0.000 2.060 139 F HA -0.154 4.372 4.527 -0.001 0.000 0.295 139 F C 2.072 177.739 175.800 -0.221 0.000 1.120 139 F CA 1.254 59.144 58.000 -0.183 0.000 1.205 139 F CB -0.356 38.459 39.000 -0.309 0.000 0.986 139 F HN -0.182 nan 8.300 nan 0.000 0.470 140 F N 0.415 120.378 119.950 0.021 0.000 2.259 140 F HA 0.060 4.586 4.527 -0.001 0.000 0.298 140 F C 2.504 178.216 175.800 -0.147 0.000 1.088 140 F CA 0.876 58.807 58.000 -0.114 0.000 1.358 140 F CB -1.445 37.559 39.000 0.007 0.000 1.040 140 F HN 0.073 nan 8.300 nan 0.000 0.505 141 A N -0.285 122.575 122.820 0.066 0.000 1.902 141 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 141 A C 2.228 179.841 177.584 0.049 0.000 1.181 141 A CA 1.916 53.998 52.037 0.076 0.000 0.623 141 A CB -0.808 18.232 19.000 0.066 0.000 0.818 141 A HN 0.426 nan 8.150 nan 0.000 0.443 142 E N -0.613 119.508 120.200 -0.132 0.000 2.072 142 E HA -0.169 4.180 4.350 -0.001 0.000 0.190 142 E C 1.940 178.242 176.600 -0.497 0.000 0.982 142 E CA 1.179 57.388 56.400 -0.319 0.000 0.803 142 E CB -0.200 29.346 29.700 -0.256 0.000 0.755 142 E HN 0.422 nan 8.360 nan 0.000 0.453 143 L N 1.255 122.241 121.223 -0.395 0.000 2.012 143 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 143 L C 2.469 179.258 176.870 -0.135 0.000 1.073 143 L CA 2.771 57.434 54.840 -0.295 0.000 0.748 143 L CB -1.081 40.695 42.059 -0.473 0.000 0.891 143 L HN 0.324 nan 8.230 nan 0.000 0.431 144 T N -3.358 111.163 114.554 -0.055 0.000 3.035 144 T HA -0.039 4.310 4.350 -0.001 0.000 0.268 144 T C 1.987 176.736 174.700 0.081 0.000 1.109 144 T CA 0.748 62.879 62.100 0.052 0.000 1.119 144 T CB -0.514 68.381 68.868 0.044 0.000 0.900 144 T HN 0.237 nan 8.240 nan 0.000 0.503 145 I N 0.619 121.131 120.570 -0.097 0.000 2.252 145 I HA -0.064 4.105 4.170 -0.001 0.000 0.245 145 I C 2.191 178.169 176.117 -0.231 0.000 1.102 145 I CA 1.265 62.378 61.300 -0.312 0.000 1.385 145 I CB -1.039 36.682 38.000 -0.465 0.000 1.064 145 I HN 0.217 nan 8.210 nan 0.000 0.414 146 Y N 1.393 121.628 120.300 -0.108 0.000 2.220 146 Y HA -0.172 4.377 4.550 -0.001 0.000 0.291 146 Y C 2.956 178.803 175.900 -0.089 0.000 1.129 146 Y CA 1.477 59.500 58.100 -0.129 0.000 1.161 146 Y CB -1.659 36.721 38.460 -0.132 0.000 0.997 146 Y HN 0.305 nan 8.280 nan 0.000 0.522 147 T N -3.279 111.330 114.554 0.092 0.000 2.737 147 T HA -0.146 4.204 4.350 -0.001 0.000 0.265 147 T C 2.153 176.897 174.700 0.074 0.000 1.038 147 T CA 1.540 63.686 62.100 0.077 0.000 1.144 147 T CB -0.850 68.061 68.868 0.070 0.000 0.866 147 T HN 0.183 nan 8.240 nan 0.000 0.434 148 S N 2.275 118.005 115.700 0.049 0.000 2.353 148 S HA -0.137 4.332 4.470 -0.001 0.000 0.222 148 S C 2.614 177.169 174.600 -0.076 0.000 1.035 148 S CA 1.700 59.894 58.200 -0.009 0.000 1.025 148 S CB -0.685 62.500 63.200 -0.025 0.000 0.902 148 S HN 0.872 nan 8.310 nan 0.000 0.440 149 S N 2.315 117.967 115.700 -0.081 0.000 2.383 149 S HA 0.041 4.510 4.470 -0.001 0.000 0.227 149 S C 2.044 176.619 174.600 -0.042 0.000 1.026 149 S CA 0.873 59.025 58.200 -0.080 0.000 0.981 149 S CB -0.616 62.520 63.200 -0.107 0.000 0.818 149 S HN 0.514 nan 8.310 nan 0.000 0.472 150 A N 0.787 123.597 122.820 -0.018 0.000 1.898 150 A HA 0.001 4.320 4.320 -0.001 0.000 0.216 150 A C 2.464 180.052 177.584 0.006 0.000 1.181 150 A CA 1.351 53.389 52.037 0.001 0.000 0.620 150 A CB -1.369 17.638 19.000 0.012 0.000 0.819 150 A HN 0.682 nan 8.150 nan 0.000 0.442 151 C N -1.267 118.019 119.300 -0.023 0.000 2.466 151 C HA 0.062 4.521 4.460 -0.001 0.000 0.278 151 C C 2.463 177.352 174.990 -0.169 0.000 1.288 151 C CA 0.836 59.788 59.018 -0.110 0.000 1.722 151 C CB -1.117 26.473 27.740 -0.250 0.000 2.017 151 C HN 0.527 nan 8.230 nan 0.000 0.488 152 L N -0.263 120.840 121.223 -0.199 0.000 2.249 152 L HA 0.202 4.541 4.340 -0.001 0.000 0.207 152 L C 1.976 178.731 176.870 -0.191 0.000 1.090 152 L CA 1.619 56.334 54.840 -0.209 0.000 0.802 152 L CB -0.560 41.355 42.059 -0.241 0.000 0.947 152 L HN 0.283 nan 8.230 nan 0.000 0.453 153 I N -1.950 118.482 120.570 -0.230 0.000 2.947 153 I HA 0.409 4.578 4.170 -0.001 0.000 0.263 153 I C 0.725 176.738 176.117 -0.174 0.000 1.130 153 I CA 0.503 61.592 61.300 -0.351 0.000 1.448 153 I CB 0.372 37.908 38.000 -0.772 0.000 1.222 153 I HN 0.234 nan 8.210 nan 0.000 0.453 154 G N 0.515 109.277 108.800 -0.063 0.000 2.312 154 G HA2 0.001 3.960 3.960 -0.001 0.000 0.347 154 G HA3 0.001 3.960 3.960 -0.001 0.000 0.347 154 G C -0.268 174.652 174.900 0.034 0.000 1.564 154 G CA -0.697 44.404 45.100 0.003 0.000 0.981 154 G HN -0.070 nan 8.290 nan 0.000 0.678 155 K N 0.010 120.423 120.400 0.022 0.000 2.097 155 K HA -0.075 4.244 4.320 -0.001 0.000 0.206 155 K C 2.473 179.068 176.600 -0.009 0.000 1.049 155 K CA 1.459 57.746 56.287 0.000 0.000 0.933 155 K CB 0.028 32.528 32.500 -0.001 0.000 0.717 155 K HN 0.438 nan 8.250 nan 0.000 0.442 156 K N 0.539 120.951 120.400 0.021 0.000 2.026 156 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 156 K C 2.064 178.685 176.600 0.034 0.000 1.048 156 K CA 1.388 57.690 56.287 0.025 0.000 0.929 156 K CB -0.189 32.341 32.500 0.050 0.000 0.713 156 K HN 0.024 nan 8.250 nan 0.000 0.439 157 F N 2.390 122.290 119.950 -0.083 0.000 2.075 157 F HA -0.208 4.318 4.527 -0.001 0.000 0.297 157 F C 2.544 178.258 175.800 -0.143 0.000 1.113 157 F CA 1.596 59.529 58.000 -0.112 0.000 1.218 157 F CB -0.390 38.498 39.000 -0.185 0.000 0.984 157 F HN -0.017 nan 8.300 nan 0.000 0.472 158 R N 0.809 121.202 120.500 -0.179 0.000 2.117 158 R HA -0.197 4.142 4.340 -0.001 0.000 0.243 158 R C 1.448 177.570 176.300 -0.298 0.000 1.143 158 R CA 2.131 58.066 56.100 -0.276 0.000 0.968 158 R CB -1.150 29.076 30.300 -0.124 0.000 0.863 158 R HN 0.305 nan 8.270 nan 0.000 0.444 159 D N 0.457 120.728 120.400 -0.216 0.000 2.348 159 D HA -0.081 4.559 4.640 -0.001 0.000 0.216 159 D C 1.296 177.478 176.300 -0.197 0.000 0.970 159 D CA 0.747 54.630 54.000 -0.194 0.000 0.889 159 D CB 0.083 40.809 40.800 -0.125 0.000 0.912 159 D HN 0.449 nan 8.370 nan 0.000 0.524 160 Q N -0.367 119.282 119.800 -0.252 0.000 2.319 160 Q HA 0.185 4.524 4.340 -0.001 0.000 0.202 160 Q C 0.352 176.197 176.000 -0.257 0.000 0.896 160 Q CA 0.024 55.696 55.803 -0.218 0.000 0.942 160 Q CB 1.077 29.700 28.738 -0.192 0.000 1.083 160 Q HN 0.247 nan 8.270 nan 0.000 0.510 161 L N 1.699 122.718 121.223 -0.341 0.000 2.379 161 L HA 0.280 4.620 4.340 -0.001 0.000 0.269 161 L C -0.117 176.723 176.870 -0.050 0.000 1.084 161 L CA -0.547 54.152 54.840 -0.236 0.000 0.802 161 L CB 0.749 42.577 42.059 -0.385 0.000 1.175 161 L HN 0.104 nan 8.230 nan 0.000 0.448 162 D N 0.154 120.609 120.400 0.091 0.000 2.904 162 D HA 0.247 4.886 4.640 -0.001 0.000 0.290 162 D C 0.928 177.379 176.300 0.251 0.000 1.180 162 D CA -0.190 53.903 54.000 0.156 0.000 1.065 162 D CB 0.502 41.343 40.800 0.068 0.000 1.386 162 D HN 0.406 nan 8.370 nan 0.000 0.599 163 G N -0.785 108.134 108.800 0.199 0.000 2.448 163 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.219 163 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.219 163 G C 1.334 176.307 174.900 0.123 0.000 1.127 163 G CA 0.661 45.849 45.100 0.148 0.000 0.766 163 G HN 0.365 nan 8.290 nan 0.000 0.552 164 R N -0.859 119.719 120.500 0.130 0.000 2.091 164 R HA -0.072 4.267 4.340 -0.001 0.000 0.238 164 R C 2.236 178.620 176.300 0.140 0.000 1.136 164 R CA 1.345 57.513 56.100 0.114 0.000 0.959 164 R CB -0.557 29.806 30.300 0.105 0.000 0.856 164 R HN 0.407 nan 8.270 nan 0.000 0.437 165 F N 1.335 121.315 119.950 0.049 0.000 2.126 165 F HA -0.196 4.330 4.527 -0.001 0.000 0.299 165 F C 2.326 178.158 175.800 0.054 0.000 1.096 165 F CA 1.483 59.520 58.000 0.061 0.000 1.255 165 F CB -0.326 38.695 39.000 0.035 0.000 0.997 165 F HN 0.009 nan 8.300 nan 0.000 0.479 166 A N 0.164 123.118 122.820 0.223 0.000 1.902 166 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 166 A C 2.262 179.906 177.584 0.101 0.000 1.181 166 A CA 1.748 53.840 52.037 0.090 0.000 0.623 166 A CB -0.620 18.345 19.000 -0.058 0.000 0.818 166 A HN 0.422 nan 8.150 nan 0.000 0.443 167 K N -0.410 120.037 120.400 0.079 0.000 2.057 167 K HA -0.040 4.280 4.320 -0.001 0.000 0.207 167 K C 1.883 178.540 176.600 0.094 0.000 1.049 167 K CA 1.347 57.685 56.287 0.085 0.000 0.931 167 K CB -0.400 32.136 32.500 0.060 0.000 0.714 167 K HN 0.472 nan 8.250 nan 0.000 0.440 168 L N -0.425 120.816 121.223 0.029 0.000 2.056 168 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 168 L C 2.447 179.296 176.870 -0.036 0.000 1.078 168 L CA 1.169 55.992 54.840 -0.028 0.000 0.749 168 L CB -0.492 41.502 42.059 -0.108 0.000 0.901 168 L HN 0.128 nan 8.230 nan 0.000 0.433 169 Y N -0.120 120.080 120.300 -0.168 0.000 2.207 169 Y HA -0.347 4.203 4.550 -0.001 0.000 0.287 169 Y C 2.852 178.764 175.900 0.019 0.000 1.156 169 Y CA 2.022 60.048 58.100 -0.123 0.000 1.182 169 Y CB -0.140 38.210 38.460 -0.185 0.000 0.979 169 Y HN 0.205 nan 8.280 nan 0.000 0.521 170 H N 0.033 119.188 119.070 0.141 0.000 2.353 170 H HA -0.131 4.425 4.556 -0.001 0.000 0.300 170 H C 2.018 177.380 175.328 0.056 0.000 1.090 170 H CA 2.097 58.222 56.048 0.128 0.000 1.327 170 H CB 0.036 29.868 29.762 0.116 0.000 1.383 170 H HN 0.248 nan 8.280 nan 0.000 0.508 171 E N 0.014 120.240 120.200 0.043 0.000 2.153 171 E HA -0.137 4.212 4.350 -0.001 0.000 0.194 171 E C 2.327 178.886 176.600 -0.068 0.000 0.988 171 E CA 0.613 56.998 56.400 -0.026 0.000 0.811 171 E CB -0.360 29.350 29.700 0.016 0.000 0.746 171 E HN 0.388 nan 8.360 nan 0.000 0.466 172 L N 1.689 122.855 121.223 -0.095 0.000 1.994 172 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 172 L C 2.011 178.853 176.870 -0.046 0.000 1.071 172 L CA 1.826 56.596 54.840 -0.115 0.000 0.745 172 L CB -0.367 41.536 42.059 -0.260 0.000 0.892 172 L HN 0.035 nan 8.230 nan 0.000 0.431 173 E N -0.915 119.259 120.200 -0.044 0.000 2.160 173 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 173 E C 2.037 178.596 176.600 -0.069 0.000 0.991 173 E CA 0.894 57.300 56.400 0.011 0.000 0.810 173 E CB -0.125 29.531 29.700 -0.074 0.000 0.742 173 E HN 0.447 nan 8.360 nan 0.000 0.466 174 R N 0.117 120.523 120.500 -0.158 0.000 2.339 174 R HA -0.001 4.339 4.340 -0.001 0.000 0.199 174 R C 1.577 177.868 176.300 -0.015 0.000 1.018 174 R CA 0.583 56.610 56.100 -0.122 0.000 1.036 174 R CB 0.075 30.278 30.300 -0.161 0.000 0.899 174 R HN 0.049 nan 8.270 nan 0.000 0.473 175 G N 1.146 109.955 108.800 0.014 0.000 3.379 175 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.253 175 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.253 175 G C 0.587 175.544 174.900 0.096 0.000 1.262 175 G CA 0.008 45.163 45.100 0.092 0.000 0.959 175 G HN 0.246 nan 8.290 nan 0.000 0.524 176 T N -2.851 111.750 114.554 0.079 0.000 3.331 176 T HA 0.192 4.541 4.350 -0.001 0.000 0.282 176 T C -0.019 174.688 174.700 0.013 0.000 1.010 176 T CA -0.650 61.464 62.100 0.024 0.000 0.928 176 T CB 0.584 69.475 68.868 0.038 0.000 1.154 176 T HN 0.085 nan 8.240 nan 0.000 0.516 177 D N 2.607 123.078 120.400 0.119 0.000 2.488 177 D HA 0.061 4.700 4.640 -0.001 0.000 0.238 177 D C -1.480 174.843 176.300 0.039 0.000 1.138 177 D CA -1.485 52.540 54.000 0.041 0.000 0.873 177 D CB 1.671 42.432 40.800 -0.065 0.000 1.183 177 D HN 0.049 nan 8.370 nan 0.000 0.458 178 P HA -0.053 nan 4.420 nan 0.000 0.226 178 P C 1.506 178.909 177.300 0.171 0.000 1.146 178 P CA 0.569 63.776 63.100 0.178 0.000 0.773 178 P CB 0.126 32.045 31.700 0.364 0.000 0.772 179 L N -1.172 120.108 121.223 0.096 0.000 2.349 179 L HA -0.178 4.161 4.340 -0.001 0.000 0.220 179 L C 2.284 179.233 176.870 0.131 0.000 1.130 179 L CA 0.936 55.817 54.840 0.068 0.000 0.791 179 L CB -0.901 41.142 42.059 -0.028 0.000 0.918 179 L HN 0.009 nan 8.230 nan 0.000 0.444 180 A N -0.650 122.246 122.820 0.127 0.000 2.024 180 A HA -0.246 4.074 4.320 -0.001 0.000 0.220 180 A C 1.903 179.361 177.584 -0.209 0.000 1.164 180 A CA 1.374 53.341 52.037 -0.115 0.000 0.643 180 A CB -0.740 18.013 19.000 -0.412 0.000 0.806 180 A HN 0.453 nan 8.150 nan 0.000 0.451 181 Y N -0.826 119.424 120.300 -0.084 0.000 2.421 181 Y HA -0.109 4.441 4.550 -0.001 0.000 0.292 181 Y C 2.353 178.219 175.900 -0.056 0.000 1.136 181 Y CA 1.100 59.169 58.100 -0.052 0.000 1.255 181 Y CB -0.050 38.369 38.460 -0.070 0.000 0.991 181 Y HN 0.158 nan 8.280 nan 0.000 0.552 182 V N -1.008 118.926 119.914 0.034 0.000 2.300 182 V HA -0.096 4.024 4.120 -0.001 0.000 0.241 182 V C 0.187 176.294 176.094 0.023 0.000 1.034 182 V CA 1.474 63.752 62.300 -0.038 0.000 1.021 182 V CB -0.026 31.695 31.823 -0.169 0.000 0.662 182 V HN 0.234 nan 8.190 nan 0.000 0.458 183 D N -1.884 118.541 120.400 0.042 0.000 2.726 183 D HA 0.191 4.830 4.640 -0.001 0.000 0.203 183 D C -2.667 173.626 176.300 -0.011 0.000 1.297 183 D CA -1.045 52.989 54.000 0.056 0.000 0.863 183 D CB 2.104 42.974 40.800 0.117 0.000 1.669 183 D HN -0.037 nan 8.370 nan 0.000 0.561 184 P HA 0.033 nan 4.420 nan 0.000 0.234 184 P C 0.204 176.885 177.300 -1.032 0.000 1.167 184 P CA 0.843 63.475 63.100 -0.781 0.000 0.763 184 P CB -0.103 31.074 31.700 -0.872 0.000 0.835 185 Y N -1.635 118.593 120.300 -0.120 0.000 2.636 185 Y HA 0.253 4.802 4.550 -0.001 0.000 0.260 185 Y C 0.997 176.983 175.900 0.143 0.000 1.177 185 Y CA -0.745 57.341 58.100 -0.025 0.000 1.209 185 Y CB -0.457 37.984 38.460 -0.032 0.000 1.166 185 Y HN -0.188 nan 8.280 nan 0.000 0.531 186 L N 3.888 125.336 121.223 0.376 0.000 2.506 186 L HA 0.045 4.384 4.340 -0.001 0.000 0.281 186 L C -1.585 175.443 176.870 0.264 0.000 1.228 186 L CA -1.420 53.596 54.840 0.294 0.000 0.850 186 L CB 0.420 42.613 42.059 0.224 0.000 1.110 186 L HN 0.013 nan 8.230 nan 0.000 0.496 187 P HA 0.108 nan 4.420 nan 0.000 0.231 187 P C -0.607 176.704 177.300 0.019 0.000 1.756 187 P CA 0.210 63.363 63.100 0.088 0.000 0.990 187 P CB -0.648 31.090 31.700 0.063 0.000 1.973 188 I N -2.942 117.604 120.570 -0.040 0.000 2.750 188 I HA 0.469 4.638 4.170 -0.001 0.000 0.308 188 I C 1.408 177.455 176.117 -0.115 0.000 1.016 188 I CA -1.162 60.045 61.300 -0.155 0.000 1.098 188 I CB 2.052 39.830 38.000 -0.370 0.000 1.279 188 I HN -0.255 nan 8.210 nan 0.000 0.454 189 E N 2.416 122.557 120.200 -0.098 0.000 2.110 189 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 189 E C 1.884 178.465 176.600 -0.031 0.000 0.988 189 E CA 2.319 58.693 56.400 -0.044 0.000 0.804 189 E CB -0.051 29.627 29.700 -0.037 0.000 0.745 189 E HN 0.835 nan 8.360 nan 0.000 0.458 190 S N -0.738 114.905 115.700 -0.095 0.000 2.428 190 S HA -0.079 4.390 4.470 -0.001 0.000 0.230 190 S C 1.762 176.447 174.600 0.141 0.000 1.014 190 S CA 0.646 58.830 58.200 -0.027 0.000 0.957 190 S CB -0.468 62.680 63.200 -0.085 0.000 0.784 190 S HN 0.190 nan 8.310 nan 0.000 0.499 191 F N 2.212 122.138 119.950 -0.040 0.000 2.234 191 F HA 0.322 4.848 4.527 -0.001 0.000 0.296 191 F C 2.654 178.439 175.800 -0.025 0.000 1.089 191 F CA 0.002 57.973 58.000 -0.049 0.000 1.343 191 F CB -1.053 37.916 39.000 -0.053 0.000 1.040 191 F HN 0.233 nan 8.300 nan 0.000 0.498 192 R N 0.736 121.345 120.500 0.180 0.000 2.083 192 R HA -0.166 4.173 4.340 -0.001 0.000 0.237 192 R C 2.331 178.674 176.300 0.072 0.000 1.137 192 R CA 1.655 57.816 56.100 0.102 0.000 0.951 192 R CB -0.145 30.194 30.300 0.066 0.000 0.851 192 R HN 0.172 nan 8.270 nan 0.000 0.434 193 R N -0.242 120.295 120.500 0.062 0.000 2.115 193 R HA -0.101 4.238 4.340 -0.001 0.000 0.230 193 R C 2.510 178.829 176.300 0.032 0.000 1.111 193 R CA 1.303 57.427 56.100 0.040 0.000 0.976 193 R CB -0.350 29.969 30.300 0.031 0.000 0.870 193 R HN 0.251 nan 8.270 nan 0.000 0.445 194 R N 1.085 121.614 120.500 0.047 0.000 2.083 194 R HA -0.172 4.167 4.340 -0.001 0.000 0.237 194 R C 1.044 177.338 176.300 -0.009 0.000 1.137 194 R CA 2.122 58.228 56.100 0.009 0.000 0.951 194 R CB -0.121 30.186 30.300 0.012 0.000 0.851 194 R HN 0.135 nan 8.270 nan 0.000 0.434 195 D N 0.252 120.661 120.400 0.014 0.000 2.149 195 D HA -0.118 4.521 4.640 -0.001 0.000 0.201 195 D C 1.932 178.239 176.300 0.012 0.000 0.972 195 D CA 0.873 54.880 54.000 0.012 0.000 0.835 195 D CB -0.147 40.676 40.800 0.039 0.000 0.966 195 D HN 0.241 nan 8.370 nan 0.000 0.476 196 E N 0.886 121.097 120.200 0.019 0.000 2.077 196 E HA -0.099 4.251 4.350 -0.001 0.000 0.193 196 E C 2.112 178.714 176.600 0.004 0.000 0.989 196 E CA 0.841 57.251 56.400 0.016 0.000 0.800 196 E CB -0.350 29.363 29.700 0.021 0.000 0.746 196 E HN 0.202 nan 8.360 nan 0.000 0.452 197 A N 1.471 124.287 122.820 -0.006 0.000 1.908 197 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 197 A C 2.248 179.805 177.584 -0.045 0.000 1.181 197 A CA 1.864 53.884 52.037 -0.027 0.000 0.627 197 A CB -0.541 18.436 19.000 -0.039 0.000 0.818 197 A HN 0.151 nan 8.150 nan 0.000 0.445 198 R N -0.361 120.114 120.500 -0.042 0.000 2.073 198 R HA -0.172 4.167 4.340 -0.001 0.000 0.234 198 R C 1.869 178.163 176.300 -0.010 0.000 1.134 198 R CA 1.718 57.796 56.100 -0.037 0.000 0.952 198 R CB -0.334 29.948 30.300 -0.030 0.000 0.850 198 R HN 0.537 nan 8.270 nan 0.000 0.433 199 N N -0.073 118.627 118.700 0.001 0.000 2.094 199 N HA -0.144 4.595 4.740 -0.001 0.000 0.191 199 N C 1.683 177.203 175.510 0.017 0.000 1.023 199 N CA 1.631 54.689 53.050 0.013 0.000 0.857 199 N CB -0.742 37.755 38.487 0.017 0.000 1.013 199 N HN 0.427 nan 8.380 nan 0.000 0.426 200 G N 0.975 109.779 108.800 0.007 0.000 2.422 200 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.218 200 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.218 200 G C 1.715 176.623 174.900 0.014 0.000 1.146 200 G CA 0.348 45.455 45.100 0.011 0.000 0.769 200 G HN 0.240 nan 8.290 nan 0.000 0.547 201 L N 0.246 121.457 121.223 -0.019 0.000 2.056 201 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 201 L C 2.993 179.919 176.870 0.093 0.000 1.078 201 L CA 0.378 55.211 54.840 -0.011 0.000 0.749 201 L CB -0.438 41.570 42.059 -0.086 0.000 0.901 201 L HN 0.079 nan 8.230 nan 0.000 0.433 202 V N 0.141 120.096 119.914 0.069 0.000 2.332 202 V HA -0.323 3.796 4.120 -0.001 0.000 0.248 202 V C 2.764 178.913 176.094 0.092 0.000 1.055 202 V CA 1.858 64.206 62.300 0.080 0.000 1.038 202 V CB -0.998 30.855 31.823 0.049 0.000 0.651 202 V HN 0.494 nan 8.190 nan 0.000 0.450 203 A N -0.183 122.683 122.820 0.076 0.000 1.877 203 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 203 A C 2.231 179.878 177.584 0.106 0.000 1.186 203 A CA 1.798 53.882 52.037 0.078 0.000 0.620 203 A CB -0.553 18.483 19.000 0.059 0.000 0.822 203 A HN 0.491 nan 8.150 nan 0.000 0.443 204 L N -0.512 120.789 121.223 0.130 0.000 2.012 204 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 204 L C 2.564 179.564 176.870 0.218 0.000 1.073 204 L CA 1.384 56.329 54.840 0.175 0.000 0.748 204 L CB -0.703 41.500 42.059 0.240 0.000 0.891 204 L HN 0.265 nan 8.230 nan 0.000 0.431 205 V N 0.049 120.124 119.914 0.267 0.000 2.343 205 V HA -0.285 3.835 4.120 -0.001 0.000 0.247 205 V C 2.766 178.979 176.094 0.198 0.000 1.051 205 V CA 1.765 64.247 62.300 0.304 0.000 1.036 205 V CB -0.844 31.161 31.823 0.302 0.000 0.654 205 V HN 0.489 nan 8.190 nan 0.000 0.451 206 A N -0.056 122.848 122.820 0.139 0.000 1.908 206 A HA -0.268 4.051 4.320 -0.001 0.000 0.218 206 A C 1.983 179.627 177.584 0.100 0.000 1.181 206 A CA 2.114 54.212 52.037 0.102 0.000 0.627 206 A CB -0.606 18.440 19.000 0.077 0.000 0.818 206 A HN 0.558 nan 8.150 nan 0.000 0.445 207 D N -0.028 120.434 120.400 0.103 0.000 2.144 207 D HA -0.088 4.551 4.640 -0.001 0.000 0.200 207 D C 1.880 178.236 176.300 0.094 0.000 0.978 207 D CA 1.065 55.117 54.000 0.086 0.000 0.833 207 D CB -0.335 40.512 40.800 0.079 0.000 0.961 207 D HN 0.547 nan 8.370 nan 0.000 0.470 208 I N 0.470 121.117 120.570 0.128 0.000 2.179 208 I HA -0.258 3.911 4.170 -0.001 0.000 0.242 208 I C 2.465 178.663 176.117 0.135 0.000 1.088 208 I CA 0.860 62.242 61.300 0.137 0.000 1.357 208 I CB -0.221 37.904 38.000 0.208 0.000 1.051 208 I HN -0.058 nan 8.210 nan 0.000 0.409 209 M N 0.339 120.025 119.600 0.143 0.000 2.108 209 M HA -0.222 4.258 4.480 -0.001 0.000 0.261 209 M C 2.035 178.386 176.300 0.084 0.000 1.066 209 M CA 1.804 57.173 55.300 0.114 0.000 1.107 209 M CB -0.600 32.061 32.600 0.101 0.000 1.356 209 M HN 0.239 nan 8.290 nan 0.000 0.406 210 N N 0.480 119.226 118.700 0.076 0.000 2.120 210 N HA -0.092 4.647 4.740 -0.001 0.000 0.188 210 N C 1.823 177.364 175.510 0.053 0.000 1.024 210 N CA 1.704 54.789 53.050 0.058 0.000 0.852 210 N CB -0.893 37.625 38.487 0.053 0.000 1.003 210 N HN 0.456 nan 8.380 nan 0.000 0.424 211 G N 1.059 109.893 108.800 0.056 0.000 2.442 211 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.219 211 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.219 211 G C 1.660 176.588 174.900 0.047 0.000 1.141 211 G CA 0.437 45.565 45.100 0.047 0.000 0.763 211 G HN 0.310 nan 8.290 nan 0.000 0.554 212 R N -0.299 120.237 120.500 0.060 0.000 2.148 212 R HA 0.131 4.470 4.340 -0.001 0.000 0.223 212 R C 2.492 178.821 176.300 0.048 0.000 1.088 212 R CA 0.545 56.679 56.100 0.058 0.000 0.985 212 R CB -0.267 30.079 30.300 0.077 0.000 0.880 212 R HN 0.412 nan 8.270 nan 0.000 0.451 213 I N 0.456 121.053 120.570 0.046 0.000 2.179 213 I HA -0.239 3.930 4.170 -0.001 0.000 0.242 213 I C 2.476 178.612 176.117 0.031 0.000 1.088 213 I CA 1.434 62.756 61.300 0.038 0.000 1.357 213 I CB -0.338 37.684 38.000 0.036 0.000 1.051 213 I HN 0.138 nan 8.210 nan 0.000 0.409 214 A N -0.283 122.555 122.820 0.030 0.000 2.067 214 A HA -0.061 4.259 4.320 -0.001 0.000 0.217 214 A C 1.280 178.877 177.584 0.023 0.000 1.156 214 A CA 1.151 53.203 52.037 0.025 0.000 0.683 214 A CB -0.215 18.799 19.000 0.024 0.000 0.808 214 A HN 0.432 nan 8.150 nan 0.000 0.455 215 N N 0.250 118.965 118.700 0.025 0.000 2.687 215 N HA 0.307 5.046 4.740 -0.001 0.000 0.275 215 N C -2.957 172.567 175.510 0.024 0.000 1.789 215 N CA -1.300 51.763 53.050 0.022 0.000 0.806 215 N CB 0.267 38.766 38.487 0.019 0.000 1.256 215 N HN 0.078 nan 8.380 nan 0.000 0.500 224 D N 0.384 120.805 120.400 0.035 0.000 2.801 224 D HA 0.210 4.849 4.640 -0.001 0.000 0.277 224 D C 0.711 177.023 176.300 0.020 0.000 1.125 224 D CA -0.910 53.103 54.000 0.022 0.000 1.102 224 D CB 0.409 41.222 40.800 0.022 0.000 1.400 224 D HN 0.498 nan 8.370 nan 0.000 0.601 225 M N -0.462 119.131 119.600 -0.011 0.000 2.159 225 M HA -0.079 4.400 4.480 -0.001 0.000 0.263 225 M C 1.566 177.915 176.300 0.081 0.000 1.063 225 M CA 1.307 56.615 55.300 0.014 0.000 1.110 225 M CB -0.205 32.374 32.600 -0.035 0.000 1.374 225 M HN 0.388 nan 8.290 nan 0.000 0.411 226 L N 1.106 122.388 121.223 0.099 0.000 2.046 226 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 226 L C 1.732 178.666 176.870 0.106 0.000 1.077 226 L CA 2.038 56.980 54.840 0.170 0.000 0.747 226 L CB -1.004 41.170 42.059 0.192 0.000 0.896 226 L HN 0.354 nan 8.230 nan 0.000 0.432 227 D N -0.783 119.669 120.400 0.087 0.000 2.097 227 D HA -0.172 4.467 4.640 -0.001 0.000 0.195 227 D C 2.318 178.658 176.300 0.067 0.000 0.989 227 D CA 1.712 55.755 54.000 0.072 0.000 0.827 227 D CB -0.325 40.511 40.800 0.060 0.000 0.966 227 D HN 0.301 nan 8.370 nan 0.000 0.456 228 V N 1.573 121.524 119.914 0.062 0.000 2.282 228 V HA -0.250 3.869 4.120 -0.001 0.000 0.249 228 V C 2.731 178.881 176.094 0.093 0.000 1.057 228 V CA 1.345 63.683 62.300 0.064 0.000 1.032 228 V CB -0.560 31.295 31.823 0.053 0.000 0.645 228 V HN 0.187 nan 8.190 nan 0.000 0.447 229 L N -0.879 120.398 121.223 0.090 0.000 2.046 229 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 229 L C 2.369 179.359 176.870 0.201 0.000 1.077 229 L CA 1.619 56.540 54.840 0.135 0.000 0.747 229 L CB -0.495 41.541 42.059 -0.037 0.000 0.896 229 L HN 0.268 nan 8.230 nan 0.000 0.432 230 I N 0.046 120.688 120.570 0.120 0.000 2.264 230 I HA -0.293 3.876 4.170 -0.001 0.000 0.248 230 I C 2.677 178.845 176.117 0.085 0.000 1.111 230 I CA 1.210 62.572 61.300 0.104 0.000 1.382 230 I CB -0.395 37.654 38.000 0.081 0.000 1.060 230 I HN 0.211 nan 8.210 nan 0.000 0.418 231 A N 0.331 123.197 122.820 0.077 0.000 2.066 231 A HA 0.025 4.344 4.320 -0.001 0.000 0.218 231 A C 1.233 178.838 177.584 0.035 0.000 1.157 231 A CA 0.338 52.405 52.037 0.050 0.000 0.670 231 A CB -0.604 18.424 19.000 0.045 0.000 0.804 231 A HN 0.161 nan 8.150 nan 0.000 0.453 232 V N 1.464 121.412 119.914 0.056 0.000 2.673 232 V HA 0.112 4.231 4.120 -0.001 0.000 0.303 232 V C 0.380 176.419 176.094 -0.092 0.000 1.046 232 V CA 0.354 62.649 62.300 -0.008 0.000 1.126 232 V CB 0.516 32.349 31.823 0.017 0.000 0.934 232 V HN 0.457 nan 8.190 nan 0.000 0.487 233 K N 2.560 122.894 120.400 -0.109 0.000 2.378 233 K HA 0.954 5.273 4.320 -0.001 0.000 0.244 233 K C -0.487 176.026 176.600 -0.145 0.000 1.039 233 K CA -0.696 55.523 56.287 -0.114 0.000 0.863 233 K CB 2.582 35.044 32.500 -0.063 0.000 1.326 233 K HN 0.770 nan 8.250 nan 0.000 0.460 239 P HA 0.191 nan 4.420 nan 0.000 0.262 239 P C 0.729 177.962 177.300 -0.112 0.000 1.182 239 P CA -0.255 62.815 63.100 -0.052 0.000 0.761 239 P CB 0.753 32.448 31.700 -0.008 0.000 0.795 240 R N 3.791 124.156 120.500 -0.226 0.000 2.092 240 R HA 0.024 4.363 4.340 -0.001 0.000 0.231 240 R C 0.044 176.065 176.300 -0.465 0.000 1.119 240 R CA 1.461 57.294 56.100 -0.445 0.000 0.970 240 R CB -0.521 29.322 30.300 -0.762 0.000 0.864 240 R HN 0.313 nan 8.270 nan 0.000 0.440 241 F N 1.080 121.013 119.950 -0.029 0.000 2.427 241 F HA 0.388 4.914 4.527 -0.001 0.000 0.346 241 F C 0.485 176.261 175.800 -0.040 0.000 1.120 241 F CA -1.113 56.861 58.000 -0.043 0.000 1.033 241 F CB 1.498 40.459 39.000 -0.065 0.000 1.126 241 F HN 0.021 nan 8.300 nan 0.000 0.462 242 S N 1.556 117.356 115.700 0.167 0.000 2.624 242 S HA 0.563 5.032 4.470 -0.001 0.000 0.263 242 S C 1.190 175.818 174.600 0.047 0.000 1.287 242 S CA -0.273 57.976 58.200 0.082 0.000 0.990 242 S CB 1.365 64.599 63.200 0.057 0.000 0.950 242 S HN 0.782 nan 8.310 nan 0.000 0.561 243 A N 0.725 123.564 122.820 0.032 0.000 1.908 243 A HA -0.137 4.182 4.320 -0.001 0.000 0.218 243 A C 1.791 179.371 177.584 -0.007 0.000 1.181 243 A CA 2.155 54.200 52.037 0.015 0.000 0.627 243 A CB -1.531 17.495 19.000 0.044 0.000 0.818 243 A HN 1.026 nan 8.150 nan 0.000 0.445 244 D N -0.592 119.814 120.400 0.010 0.000 2.104 244 D HA -0.183 4.456 4.640 -0.001 0.000 0.194 244 D C 1.883 178.167 176.300 -0.027 0.000 0.994 244 D CA 1.813 55.815 54.000 0.004 0.000 0.830 244 D CB -0.160 40.651 40.800 0.017 0.000 0.959 244 D HN 0.639 nan 8.370 nan 0.000 0.452 245 E N -0.328 119.857 120.200 -0.025 0.000 2.077 245 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 245 E C 2.375 178.839 176.600 -0.225 0.000 0.989 245 E CA 0.779 57.138 56.400 -0.068 0.000 0.800 245 E CB -0.052 29.673 29.700 0.041 0.000 0.746 245 E HN 0.448 nan 8.360 nan 0.000 0.452 246 I N 0.945 121.347 120.570 -0.280 0.000 2.252 246 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 246 I C 2.366 178.114 176.117 -0.616 0.000 1.102 246 I CA 1.123 62.090 61.300 -0.556 0.000 1.385 246 I CB -0.361 37.327 38.000 -0.520 0.000 1.064 246 I HN 0.101 nan 8.210 nan 0.000 0.414 247 T N 0.494 114.881 114.554 -0.278 0.000 2.720 247 T HA -0.146 4.203 4.350 -0.001 0.000 0.268 247 T C 1.939 176.633 174.700 -0.010 0.000 1.037 247 T CA 1.534 63.594 62.100 -0.066 0.000 1.144 247 T CB -0.786 68.115 68.868 0.055 0.000 0.864 247 T HN 0.591 nan 8.240 nan 0.000 0.444 248 G N 1.247 110.017 108.800 -0.050 0.000 2.440 248 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.218 248 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.218 248 G C 1.572 176.445 174.900 -0.046 0.000 1.154 248 G CA 0.835 45.933 45.100 -0.003 0.000 0.767 248 G HN 0.412 nan 8.290 nan 0.000 0.552 249 M N -0.284 119.218 119.600 -0.164 0.000 2.080 249 M HA 0.010 4.490 4.480 -0.001 0.000 0.260 249 M C 2.366 178.698 176.300 0.054 0.000 1.068 249 M CA 1.256 56.462 55.300 -0.158 0.000 1.109 249 M CB -0.417 31.996 32.600 -0.311 0.000 1.342 249 M HN 0.155 nan 8.290 nan 0.000 0.405 250 F N 0.522 120.441 119.950 -0.052 0.000 2.186 250 F HA -0.093 4.434 4.527 -0.001 0.000 0.299 250 F C 2.245 178.142 175.800 0.161 0.000 1.090 250 F CA 0.817 58.821 58.000 0.006 0.000 1.307 250 F CB -1.199 37.809 39.000 0.012 0.000 1.019 250 F HN 0.083 nan 8.300 nan 0.000 0.489 251 I N 0.055 120.879 120.570 0.422 0.000 2.163 251 I HA -0.351 3.818 4.170 -0.001 0.000 0.243 251 I C 2.653 179.012 176.117 0.402 0.000 1.085 251 I CA 1.817 63.419 61.300 0.504 0.000 1.347 251 I CB -0.629 37.589 38.000 0.363 0.000 1.044 251 I HN 0.158 nan 8.210 nan 0.000 0.408 252 S N 0.797 116.524 115.700 0.045 0.000 2.382 252 S HA -0.212 4.257 4.470 -0.001 0.000 0.228 252 S C 2.050 176.581 174.600 -0.115 0.000 1.027 252 S CA 1.141 59.093 58.200 -0.414 0.000 0.991 252 S CB -0.566 62.144 63.200 -0.817 0.000 0.823 252 S HN 0.355 nan 8.310 nan 0.000 0.469 253 M N 0.481 120.082 119.600 0.002 0.000 2.159 253 M HA 0.055 4.534 4.480 -0.001 0.000 0.263 253 M C 2.316 178.648 176.300 0.054 0.000 1.063 253 M CA 1.640 56.944 55.300 0.006 0.000 1.110 253 M CB -0.463 32.140 32.600 0.005 0.000 1.374 253 M HN 0.362 nan 8.290 nan 0.000 0.411 254 M N -1.842 117.854 119.600 0.161 0.000 2.541 254 M HA 0.002 4.481 4.480 -0.001 0.000 0.252 254 M C 1.690 178.152 176.300 0.270 0.000 1.125 254 M CA 0.549 55.926 55.300 0.128 0.000 1.091 254 M CB -0.024 32.587 32.600 0.018 0.000 1.420 254 M HN 0.146 nan 8.290 nan 0.000 0.486 255 F N 1.353 121.493 119.950 0.317 0.000 2.084 255 F HA -0.113 4.413 4.527 -0.001 0.000 0.296 255 F C 2.441 178.461 175.800 0.367 0.000 1.111 255 F CA 1.743 60.027 58.000 0.474 0.000 1.224 255 F CB -0.206 39.120 39.000 0.542 0.000 0.991 255 F HN 0.082 nan 8.300 nan 0.000 0.471 256 A N -0.157 122.930 122.820 0.446 0.000 1.908 256 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 256 A C 2.331 179.983 177.584 0.114 0.000 1.181 256 A CA 1.823 54.036 52.037 0.293 0.000 0.627 256 A CB -1.705 17.413 19.000 0.198 0.000 0.818 256 A HN 0.482 nan 8.150 nan 0.000 0.445 257 G N -2.731 106.125 108.800 0.093 0.000 2.880 257 G HA2 0.006 3.966 3.960 -0.001 0.000 0.209 257 G HA3 0.006 3.966 3.960 -0.001 0.000 0.209 257 G C 1.333 176.255 174.900 0.037 0.000 1.157 257 G CA 0.778 45.911 45.100 0.055 0.000 0.779 257 G HN 0.729 nan 8.290 nan 0.000 0.539 258 H N 1.212 120.250 119.070 -0.053 0.000 2.276 258 H HA -0.110 4.445 4.556 -0.001 0.000 0.307 258 H C 2.469 177.779 175.328 -0.031 0.000 1.061 258 H CA 1.714 57.724 56.048 -0.062 0.000 1.336 258 H CB -0.076 29.615 29.762 -0.117 0.000 1.396 258 H HN 0.587 nan 8.280 nan 0.000 0.503 259 H N -0.191 118.727 119.070 -0.253 0.000 2.457 259 H HA -0.044 4.511 4.556 -0.001 0.000 0.294 259 H C 2.196 177.453 175.328 -0.119 0.000 1.064 259 H CA 1.776 57.679 56.048 -0.242 0.000 1.330 259 H CB -0.549 29.165 29.762 -0.080 0.000 1.395 259 H HN 0.340 nan 8.280 nan 0.000 0.541 260 T N -1.727 112.437 114.554 -0.651 0.000 2.701 260 T HA -0.155 4.195 4.350 -0.001 0.000 0.263 260 T C 2.212 176.819 174.700 -0.155 0.000 1.040 260 T CA 1.335 63.207 62.100 -0.380 0.000 1.147 260 T CB -0.800 67.876 68.868 -0.319 0.000 0.865 260 T HN 0.371 nan 8.240 nan 0.000 0.426 261 S N 1.427 117.055 115.700 -0.120 0.000 2.382 261 S HA -0.086 4.383 4.470 -0.001 0.000 0.228 261 S C 2.403 176.938 174.600 -0.109 0.000 1.027 261 S CA 1.178 59.343 58.200 -0.060 0.000 0.991 261 S CB -0.708 62.495 63.200 0.005 0.000 0.823 261 S HN 0.664 nan 8.310 nan 0.000 0.469 262 S N 1.386 116.985 115.700 -0.168 0.000 2.353 262 S HA -0.109 4.360 4.470 -0.001 0.000 0.222 262 S C 2.117 176.663 174.600 -0.089 0.000 1.035 262 S CA 1.735 59.855 58.200 -0.133 0.000 1.025 262 S CB -0.954 62.101 63.200 -0.242 0.000 0.902 262 S HN 0.582 nan 8.310 nan 0.000 0.440 263 G N -0.067 108.715 108.800 -0.028 0.000 2.422 263 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.218 263 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.218 263 G C 1.523 176.487 174.900 0.106 0.000 1.146 263 G CA 1.440 46.587 45.100 0.079 0.000 0.769 263 G HN 0.574 nan 8.290 nan 0.000 0.547 264 T N 1.531 116.100 114.554 0.024 0.000 2.821 264 T HA 0.057 4.406 4.350 -0.001 0.000 0.267 264 T C 2.812 177.477 174.700 -0.059 0.000 1.046 264 T CA 1.374 63.487 62.100 0.022 0.000 1.139 264 T CB -0.291 68.567 68.868 -0.016 0.000 0.871 264 T HN 0.367 nan 8.240 nan 0.000 0.454 265 A N 1.306 123.996 122.820 -0.216 0.000 1.877 265 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 265 A C 2.625 179.822 177.584 -0.645 0.000 1.186 265 A CA 1.924 53.682 52.037 -0.464 0.000 0.620 265 A CB -0.934 17.477 19.000 -0.982 0.000 0.822 265 A HN 0.425 nan 8.150 nan 0.000 0.443 266 S N -1.406 113.932 115.700 -0.604 0.000 2.359 266 S HA -0.220 4.249 4.470 -0.001 0.000 0.224 266 S C 1.594 175.982 174.600 -0.353 0.000 1.035 266 S CA 1.560 59.553 58.200 -0.345 0.000 1.018 266 S CB -0.502 62.545 63.200 -0.254 0.000 0.876 266 S HN 0.776 nan 8.310 nan 0.000 0.448 267 W N 1.587 122.760 121.300 -0.212 0.000 2.467 267 W HA -0.039 4.620 4.660 -0.001 0.000 0.275 267 W C 2.649 179.036 176.519 -0.220 0.000 1.239 267 W CA 0.910 58.100 57.345 -0.259 0.000 1.266 267 W CB -0.742 28.538 29.460 -0.299 0.000 1.112 267 W HN 0.210 nan 8.180 nan 0.000 0.576 268 T N 0.822 115.358 114.554 -0.031 0.000 2.746 268 T HA -0.213 4.136 4.350 -0.001 0.000 0.267 268 T C 1.725 176.233 174.700 -0.320 0.000 1.039 268 T CA 1.310 63.287 62.100 -0.206 0.000 1.142 268 T CB -0.602 67.998 68.868 -0.447 0.000 0.866 268 T HN -0.049 nan 8.240 nan 0.000 0.444 269 L N 0.894 121.969 121.223 -0.247 0.000 2.056 269 L HA 0.096 4.435 4.340 -0.001 0.000 0.207 269 L C 2.112 178.828 176.870 -0.256 0.000 1.078 269 L CA 1.409 56.133 54.840 -0.194 0.000 0.749 269 L CB -0.635 41.438 42.059 0.023 0.000 0.901 269 L HN 0.270 nan 8.230 nan 0.000 0.433 270 I N -0.674 119.712 120.570 -0.306 0.000 2.179 270 I HA -0.243 3.926 4.170 -0.001 0.000 0.242 270 I C 2.330 178.308 176.117 -0.233 0.000 1.088 270 I CA 1.063 62.119 61.300 -0.406 0.000 1.357 270 I CB -0.406 37.231 38.000 -0.605 0.000 1.051 270 I HN 0.261 nan 8.210 nan 0.000 0.409 271 E N 0.635 120.751 120.200 -0.139 0.000 2.150 271 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 271 E C 2.350 178.798 176.600 -0.254 0.000 0.985 271 E CA 1.011 57.279 56.400 -0.220 0.000 0.814 271 E CB -0.215 29.292 29.700 -0.322 0.000 0.752 271 E HN 0.513 nan 8.360 nan 0.000 0.466 272 L N 0.019 121.110 121.223 -0.220 0.000 2.083 272 L HA -0.124 4.215 4.340 -0.001 0.000 0.209 272 L C 2.592 179.458 176.870 -0.008 0.000 1.083 272 L CA 0.992 55.725 54.840 -0.178 0.000 0.752 272 L CB -0.333 41.441 42.059 -0.475 0.000 0.899 272 L HN 0.130 nan 8.230 nan 0.000 0.433 273 M N -1.100 118.473 119.600 -0.046 0.000 2.254 273 M HA -0.138 4.341 4.480 -0.001 0.000 0.265 273 M C 2.236 178.531 176.300 -0.008 0.000 1.066 273 M CA 1.449 56.800 55.300 0.086 0.000 1.123 273 M CB -0.264 32.340 32.600 0.006 0.000 1.388 273 M HN 0.129 nan 8.290 nan 0.000 0.425 274 R N -0.665 119.749 120.500 -0.144 0.000 2.236 274 R HA -0.004 4.335 4.340 -0.001 0.000 0.208 274 R C 0.115 176.067 176.300 -0.579 0.000 1.036 274 R CA 0.680 56.581 56.100 -0.332 0.000 1.001 274 R CB 0.095 30.144 30.300 -0.419 0.000 0.896 274 R HN 0.415 nan 8.270 nan 0.000 0.464 275 H N -0.012 119.026 119.070 -0.053 0.000 2.448 275 H HA 0.251 4.806 4.556 -0.001 0.000 0.237 275 H C 0.331 175.726 175.328 0.112 0.000 1.391 275 H CA -0.454 55.604 56.048 0.016 0.000 1.477 275 H CB 0.880 30.615 29.762 -0.044 0.000 1.520 275 H HN -0.089 nan 8.280 nan 0.000 0.502 276 R N 0.964 121.562 120.500 0.163 0.000 2.152 276 R HA -0.101 4.239 4.340 -0.001 0.000 0.232 276 R C 1.370 177.772 176.300 0.169 0.000 1.117 276 R CA 0.868 57.069 56.100 0.169 0.000 0.981 276 R CB -0.143 30.200 30.300 0.072 0.000 0.870 276 R HN 0.652 nan 8.270 nan 0.000 0.451 277 D N 0.352 120.854 120.400 0.171 0.000 2.117 277 D HA -0.111 4.528 4.640 -0.001 0.000 0.198 277 D C 1.623 178.037 176.300 0.190 0.000 0.982 277 D CA 1.363 55.456 54.000 0.155 0.000 0.828 277 D CB -0.458 40.427 40.800 0.141 0.000 0.967 277 D HN 0.110 nan 8.370 nan 0.000 0.464 278 A N 0.125 123.095 122.820 0.250 0.000 1.902 278 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 278 A C 2.277 180.025 177.584 0.274 0.000 1.181 278 A CA 1.285 53.477 52.037 0.259 0.000 0.623 278 A CB -1.251 17.966 19.000 0.362 0.000 0.818 278 A HN 0.285 nan 8.150 nan 0.000 0.443 279 Y N 0.837 121.214 120.300 0.128 0.000 2.128 279 Y HA -0.187 4.362 4.550 -0.001 0.000 0.284 279 Y C 2.743 178.704 175.900 0.102 0.000 1.154 279 Y CA 0.982 59.147 58.100 0.108 0.000 1.149 279 Y CB -1.032 37.489 38.460 0.101 0.000 0.976 279 Y HN 0.322 nan 8.280 nan 0.000 0.505 280 A N 0.095 123.059 122.820 0.239 0.000 1.902 280 A HA -0.055 4.264 4.320 -0.001 0.000 0.217 280 A C 2.520 180.186 177.584 0.137 0.000 1.181 280 A CA 2.015 54.121 52.037 0.115 0.000 0.623 280 A CB -1.363 17.670 19.000 0.056 0.000 0.818 280 A HN 0.522 nan 8.150 nan 0.000 0.443 281 A N -0.621 122.287 122.820 0.147 0.000 1.933 281 A HA 0.013 4.332 4.320 -0.001 0.000 0.218 281 A C 2.222 179.884 177.584 0.131 0.000 1.175 281 A CA 1.753 53.862 52.037 0.120 0.000 0.628 281 A CB -0.846 18.221 19.000 0.111 0.000 0.814 281 A HN 0.369 nan 8.150 nan 0.000 0.444 282 V N 0.568 120.584 119.914 0.170 0.000 2.358 282 V HA -0.220 3.899 4.120 -0.001 0.000 0.246 282 V C 2.435 178.639 176.094 0.182 0.000 1.047 282 V CA 1.631 64.028 62.300 0.161 0.000 1.035 282 V CB -0.602 31.311 31.823 0.150 0.000 0.658 282 V HN 0.506 nan 8.190 nan 0.000 0.452 283 I N 0.255 120.962 120.570 0.230 0.000 2.179 283 I HA -0.208 3.962 4.170 -0.001 0.000 0.242 283 I C 2.308 178.507 176.117 0.135 0.000 1.088 283 I CA 1.703 63.124 61.300 0.202 0.000 1.357 283 I CB -1.312 36.803 38.000 0.193 0.000 1.051 283 I HN 0.337 nan 8.210 nan 0.000 0.409 284 D N 0.493 120.959 120.400 0.111 0.000 2.117 284 D HA -0.221 4.418 4.640 -0.001 0.000 0.197 284 D C 2.140 178.487 176.300 0.079 0.000 0.987 284 D CA 1.265 55.313 54.000 0.081 0.000 0.829 284 D CB -0.129 40.711 40.800 0.067 0.000 0.961 284 D HN 0.478 nan 8.370 nan 0.000 0.460 285 E N 0.316 120.568 120.200 0.086 0.000 2.047 285 E HA -0.139 4.210 4.350 -0.001 0.000 0.191 285 E C 2.295 178.944 176.600 0.081 0.000 0.987 285 E CA 0.551 56.993 56.400 0.071 0.000 0.799 285 E CB -0.136 29.606 29.700 0.070 0.000 0.752 285 E HN 0.210 nan 8.360 nan 0.000 0.449 286 L N 1.059 122.361 121.223 0.131 0.000 2.046 286 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 286 L C 2.276 179.276 176.870 0.216 0.000 1.077 286 L CA 1.370 56.338 54.840 0.213 0.000 0.747 286 L CB -0.427 41.767 42.059 0.226 0.000 0.896 286 L HN 0.170 nan 8.230 nan 0.000 0.432 287 D N -0.100 120.384 120.400 0.140 0.000 2.117 287 D HA -0.175 4.465 4.640 -0.001 0.000 0.197 287 D C 2.144 178.498 176.300 0.089 0.000 0.987 287 D CA 1.134 55.201 54.000 0.111 0.000 0.829 287 D CB -0.062 40.784 40.800 0.077 0.000 0.961 287 D HN 0.395 nan 8.370 nan 0.000 0.460 288 E N 0.016 120.253 120.200 0.061 0.000 2.047 288 E HA -0.143 4.207 4.350 -0.001 0.000 0.191 288 E C 2.154 178.752 176.600 -0.003 0.000 0.987 288 E CA 0.325 56.745 56.400 0.032 0.000 0.799 288 E CB -0.092 29.624 29.700 0.026 0.000 0.752 288 E HN 0.118 nan 8.360 nan 0.000 0.449 289 L N 0.052 121.239 121.223 -0.060 0.000 2.017 289 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 289 L C 1.898 178.521 176.870 -0.412 0.000 1.073 289 L CA 1.669 56.355 54.840 -0.257 0.000 0.745 289 L CB -0.364 41.441 42.059 -0.423 0.000 0.894 289 L HN 0.101 nan 8.230 nan 0.000 0.432 290 Y N -0.429 119.739 120.300 -0.221 0.000 2.616 290 Y HA 0.043 4.592 4.550 -0.002 0.000 0.296 290 Y C 2.288 178.186 175.900 -0.003 0.000 1.154 290 Y CA 0.715 58.743 58.100 -0.120 0.000 1.325 290 Y CB -0.589 37.837 38.460 -0.058 0.000 1.007 290 Y HN 0.276 nan 8.280 nan 0.000 0.542 291 G N 0.018 108.872 108.800 0.090 0.000 2.625 291 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.214 291 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.214 291 G C 1.064 175.999 174.900 0.058 0.000 1.132 291 G CA 0.940 46.083 45.100 0.071 0.000 0.782 291 G HN 0.496 nan 8.290 nan 0.000 0.538 292 D N -0.641 119.799 120.400 0.066 0.000 2.363 292 D HA 0.155 4.794 4.640 -0.001 0.000 0.226 292 D C 1.801 178.116 176.300 0.026 0.000 1.020 292 D CA 0.638 54.665 54.000 0.045 0.000 0.892 292 D CB -0.585 40.243 40.800 0.047 0.000 0.900 292 D HN 0.388 nan 8.370 nan 0.000 0.531 293 G N -0.004 108.843 108.800 0.078 0.000 2.162 293 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.260 293 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.260 293 G C 0.269 175.196 174.900 0.045 0.000 0.976 293 G CA -0.021 45.115 45.100 0.061 0.000 0.655 293 G HN 0.340 nan 8.290 nan 0.000 0.533 294 R N 0.873 121.397 120.500 0.040 0.000 2.528 294 R HA 0.615 4.954 4.340 -0.001 0.000 0.271 294 R C 1.122 177.546 176.300 0.206 0.000 1.056 294 R CA 0.228 56.275 56.100 -0.088 0.000 1.117 294 R CB 0.842 30.758 30.300 -0.640 0.000 1.085 294 R HN 0.609 nan 8.270 nan 0.000 0.530 295 S N -0.717 115.085 115.700 0.169 0.000 2.624 295 S HA 0.077 4.546 4.470 -0.001 0.000 0.263 295 S C 1.548 176.431 174.600 0.472 0.000 1.287 295 S CA -0.836 57.533 58.200 0.282 0.000 0.990 295 S CB 0.636 63.934 63.200 0.163 0.000 0.950 295 S HN 0.262 nan 8.310 nan 0.000 0.561 296 V N 1.748 121.930 119.914 0.446 0.000 2.380 296 V HA -0.208 3.911 4.120 -0.001 0.000 0.251 296 V C 2.981 179.239 176.094 0.272 0.000 1.063 296 V CA 2.370 64.929 62.300 0.432 0.000 1.055 296 V CB -1.685 30.273 31.823 0.225 0.000 0.657 296 V HN 1.077 nan 8.190 nan 0.000 0.455 297 S N -0.425 115.389 115.700 0.191 0.000 2.442 297 S HA -0.217 4.253 4.470 -0.001 0.000 0.236 297 S C 1.847 176.519 174.600 0.120 0.000 1.007 297 S CA 1.664 59.939 58.200 0.125 0.000 0.965 297 S CB -0.651 62.605 63.200 0.094 0.000 0.773 297 S HN 0.597 nan 8.310 nan 0.000 0.504 298 F N 2.306 122.240 119.950 -0.025 0.000 2.147 298 F HA 0.109 4.636 4.527 -0.001 0.000 0.291 298 F C 2.673 178.365 175.800 -0.181 0.000 1.093 298 F CA 1.444 59.354 58.000 -0.150 0.000 1.263 298 F CB -0.301 38.534 39.000 -0.275 0.000 1.036 298 F HN 0.172 nan 8.300 nan 0.000 0.481 299 H N -0.177 118.965 119.070 0.120 0.000 2.462 299 H HA 0.148 4.703 4.556 -0.002 0.000 0.292 299 H C 2.171 177.458 175.328 -0.068 0.000 1.049 299 H CA 1.025 57.027 56.048 -0.076 0.000 1.334 299 H CB -0.495 29.114 29.762 -0.255 0.000 1.404 299 H HN 0.380 nan 8.280 nan 0.000 0.544 300 A N 0.588 123.484 122.820 0.126 0.000 2.209 300 A HA -0.008 4.311 4.320 -0.001 0.000 0.212 300 A C 1.705 179.278 177.584 -0.018 0.000 1.158 300 A CA 0.529 52.612 52.037 0.077 0.000 0.742 300 A CB -0.116 18.939 19.000 0.092 0.000 0.790 300 A HN 0.146 nan 8.150 nan 0.000 0.472 301 L N -0.975 120.192 121.223 -0.094 0.000 2.769 301 L HA 0.361 4.700 4.340 -0.001 0.000 0.240 301 L C 0.662 177.421 176.870 -0.186 0.000 1.163 301 L CA 0.672 55.433 54.840 -0.132 0.000 0.962 301 L CB -0.830 41.141 42.059 -0.146 0.000 1.258 301 L HN 0.351 nan 8.230 nan 0.000 0.513 302 R N -1.160 119.229 120.500 -0.185 0.000 2.869 302 R HA 0.401 4.740 4.340 -0.001 0.000 0.263 302 R C -0.255 175.997 176.300 -0.080 0.000 1.066 302 R CA -0.896 55.091 56.100 -0.188 0.000 0.960 302 R CB 1.358 31.449 30.300 -0.347 0.000 1.221 302 R HN -0.030 nan 8.270 nan 0.000 0.474 303 Q N 1.315 121.080 119.800 -0.058 0.000 2.300 303 Q HA 0.139 4.478 4.340 -0.001 0.000 0.280 303 Q C -0.350 175.650 176.000 -0.000 0.000 1.033 303 Q CA 0.886 56.674 55.803 -0.025 0.000 0.903 303 Q CB 0.590 29.316 28.738 -0.021 0.000 1.195 303 Q HN 0.434 nan 8.270 nan 0.000 0.386 304 I N 5.102 125.677 120.570 0.007 0.000 2.782 304 I HA 0.136 4.305 4.170 -0.001 0.000 0.279 304 I C -1.874 174.255 176.117 0.021 0.000 1.247 304 I CA -1.801 59.512 61.300 0.022 0.000 1.062 304 I CB 1.450 39.480 38.000 0.050 0.000 1.421 304 I HN 0.280 nan 8.210 nan 0.000 0.558 305 P HA -0.170 nan 4.420 nan 0.000 0.215 305 P C 1.484 178.796 177.300 0.020 0.000 1.157 305 P CA 1.338 64.444 63.100 0.011 0.000 0.868 305 P CB 0.229 31.935 31.700 0.009 0.000 0.788 306 Q N -0.913 118.907 119.800 0.033 0.000 2.084 306 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 306 Q C 2.165 178.190 176.000 0.043 0.000 0.978 306 Q CA 1.109 56.939 55.803 0.045 0.000 0.844 306 Q CB -1.339 27.436 28.738 0.063 0.000 0.898 306 Q HN 0.226 nan 8.270 nan 0.000 0.426 307 L N 1.478 122.725 121.223 0.039 0.000 2.093 307 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 307 L C 1.893 178.762 176.870 -0.002 0.000 1.085 307 L CA 1.757 56.606 54.840 0.016 0.000 0.755 307 L CB -0.412 41.668 42.059 0.036 0.000 0.904 307 L HN 0.150 nan 8.230 nan 0.000 0.435 308 E N -0.620 119.582 120.200 0.003 0.000 2.110 308 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 308 E C 1.753 178.327 176.600 -0.044 0.000 0.988 308 E CA 1.159 57.550 56.400 -0.016 0.000 0.804 308 E CB -0.164 29.524 29.700 -0.020 0.000 0.745 308 E HN 0.549 nan 8.360 nan 0.000 0.458 309 N N 0.399 119.088 118.700 -0.018 0.000 2.216 309 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 309 N C 1.912 177.421 175.510 -0.002 0.000 1.017 309 N CA 0.599 53.651 53.050 0.002 0.000 0.861 309 N CB -0.224 38.304 38.487 0.068 0.000 0.986 309 N HN -0.003 nan 8.380 nan 0.000 0.428 310 V N 1.498 121.424 119.914 0.020 0.000 2.343 310 V HA -0.182 3.937 4.120 -0.001 0.000 0.247 310 V C 2.333 178.469 176.094 0.070 0.000 1.051 310 V CA 1.092 63.447 62.300 0.091 0.000 1.036 310 V CB -0.481 31.424 31.823 0.137 0.000 0.654 310 V HN 0.200 nan 8.190 nan 0.000 0.451 311 L N 0.119 121.339 121.223 -0.005 0.000 2.056 311 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 311 L C 2.355 179.219 176.870 -0.011 0.000 1.078 311 L CA 1.949 56.783 54.840 -0.010 0.000 0.749 311 L CB -0.763 41.290 42.059 -0.011 0.000 0.901 311 L HN 0.204 nan 8.230 nan 0.000 0.433 312 K N -0.604 119.736 120.400 -0.100 0.000 2.063 312 K HA -0.237 4.082 4.320 -0.001 0.000 0.208 312 K C 2.094 178.640 176.600 -0.091 0.000 1.048 312 K CA 1.662 57.831 56.287 -0.197 0.000 0.928 312 K CB -0.142 31.787 32.500 -0.953 0.000 0.713 312 K HN 0.278 nan 8.250 nan 0.000 0.442 313 E N 0.384 120.572 120.200 -0.021 0.000 2.106 313 E HA -0.105 4.244 4.350 -0.001 0.000 0.192 313 E C 1.694 178.360 176.600 0.110 0.000 0.984 313 E CA 1.553 58.023 56.400 0.117 0.000 0.806 313 E CB -0.116 29.444 29.700 -0.234 0.000 0.750 313 E HN 0.143 nan 8.360 nan 0.000 0.458 314 T N 0.829 115.497 114.554 0.191 0.000 2.684 314 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 314 T C 1.804 176.536 174.700 0.053 0.000 1.036 314 T CA 1.420 63.666 62.100 0.243 0.000 1.148 314 T CB -0.288 68.716 68.868 0.227 0.000 0.863 314 T HN 0.134 nan 8.240 nan 0.000 0.436 315 L N 0.335 121.519 121.223 -0.066 0.000 2.083 315 L HA -0.049 4.290 4.340 -0.001 0.000 0.209 315 L C 2.864 179.514 176.870 -0.367 0.000 1.083 315 L CA 1.222 55.908 54.840 -0.257 0.000 0.752 315 L CB -0.433 41.388 42.059 -0.397 0.000 0.899 315 L HN 0.156 nan 8.230 nan 0.000 0.433 316 R N 0.459 120.790 120.500 -0.282 0.000 2.075 316 R HA -0.147 4.192 4.340 -0.001 0.000 0.232 316 R C 2.250 178.334 176.300 -0.361 0.000 1.126 316 R CA 1.396 57.274 56.100 -0.371 0.000 0.963 316 R CB -0.126 30.125 30.300 -0.081 0.000 0.858 316 R HN 0.310 nan 8.270 nan 0.000 0.435 317 L N -0.679 120.337 121.223 -0.345 0.000 2.179 317 L HA -0.049 4.290 4.340 -0.001 0.000 0.208 317 L C 0.745 177.124 176.870 -0.818 0.000 1.096 317 L CA 0.679 55.176 54.840 -0.571 0.000 0.779 317 L CB 0.015 41.672 42.059 -0.670 0.000 0.922 317 L HN 0.266 nan 8.230 nan 0.000 0.443 318 H N -0.548 118.321 119.070 -0.334 0.000 2.471 318 H HA 0.280 4.835 4.556 -0.001 0.000 0.234 318 H C -2.337 172.795 175.328 -0.326 0.000 1.388 318 H CA -2.005 53.758 56.048 -0.474 0.000 1.198 318 H CB -0.205 29.025 29.762 -0.886 0.000 1.714 318 H HN 0.062 nan 8.280 nan 0.000 0.536 319 P HA 0.053 nan 4.420 nan 0.000 0.267 319 P C -1.912 175.330 177.300 -0.095 0.000 1.209 319 P CA -1.020 61.949 63.100 -0.218 0.000 0.763 319 P CB 1.720 33.271 31.700 -0.248 0.000 0.816 320 P HA -0.013 nan 4.420 nan 0.000 0.219 320 P C 0.422 177.795 177.300 0.122 0.000 1.150 320 P CA 1.168 64.292 63.100 0.040 0.000 0.814 320 P CB 0.377 32.071 31.700 -0.009 0.000 0.787 321 L N 1.480 122.749 121.223 0.076 0.000 2.259 321 L HA 0.324 4.663 4.340 -0.001 0.000 0.288 321 L C 1.829 178.757 176.870 0.098 0.000 1.051 321 L CA -0.524 54.405 54.840 0.149 0.000 0.824 321 L CB 0.906 43.065 42.059 0.168 0.000 1.206 321 L HN -0.113 nan 8.230 nan 0.000 0.429 322 I N 0.924 121.565 120.570 0.118 0.000 3.427 322 I HA 0.282 4.452 4.170 -0.001 0.000 0.288 322 I C 0.605 176.772 176.117 0.084 0.000 1.249 322 I CA 0.682 62.017 61.300 0.058 0.000 1.421 322 I CB 0.610 38.619 38.000 0.016 0.000 1.086 322 I HN 0.462 nan 8.210 nan 0.000 0.448 323 I N 1.407 122.074 120.570 0.162 0.000 2.802 323 I HA 0.462 4.631 4.170 -0.001 0.000 0.298 323 I C -1.777 174.490 176.117 0.249 0.000 1.176 323 I CA -0.906 60.507 61.300 0.188 0.000 1.025 323 I CB 2.546 40.717 38.000 0.285 0.000 1.243 323 I HN -0.022 nan 8.210 nan 0.000 0.424 324 L N 7.113 128.458 121.223 0.203 0.000 2.381 324 L HA 0.565 4.904 4.340 -0.001 0.000 0.274 324 L C -0.825 176.238 176.870 0.322 0.000 0.988 324 L CA -0.729 54.304 54.840 0.322 0.000 0.824 324 L CB 1.855 44.116 42.059 0.335 0.000 1.263 324 L HN 0.471 nan 8.230 nan 0.000 0.410 325 M N 3.281 123.110 119.600 0.381 0.000 2.578 325 M HA 0.653 5.133 4.480 -0.001 0.000 0.321 325 M C -0.456 175.951 176.300 0.179 0.000 1.182 325 M CA -0.570 54.841 55.300 0.187 0.000 0.965 325 M CB 1.931 34.463 32.600 -0.114 0.000 1.694 325 M HN 0.500 nan 8.290 nan 0.000 0.461 326 R N 0.554 121.114 120.500 0.099 0.000 2.739 326 R HA 0.735 5.074 4.340 -0.001 0.000 0.271 326 R C -1.558 174.740 176.300 -0.004 0.000 1.010 326 R CA -0.852 55.246 56.100 -0.002 0.000 0.897 326 R CB 2.009 32.232 30.300 -0.128 0.000 1.236 326 R HN 0.520 nan 8.270 nan 0.000 0.466 327 V N 1.460 121.368 119.914 -0.010 0.000 2.370 327 V HA 0.428 4.547 4.120 -0.001 0.000 0.283 327 V C 0.424 176.543 176.094 0.042 0.000 1.023 327 V CA -0.992 61.318 62.300 0.017 0.000 0.857 327 V CB 1.408 33.242 31.823 0.019 0.000 0.985 327 V HN 0.885 nan 8.190 nan 0.000 0.443 328 A N 5.175 128.048 122.820 0.088 0.000 2.520 328 A HA 0.317 4.637 4.320 -0.001 0.000 0.245 328 A C 1.033 178.723 177.584 0.177 0.000 1.072 328 A CA -0.025 52.126 52.037 0.189 0.000 0.761 328 A CB 0.132 19.291 19.000 0.264 0.000 1.004 328 A HN 0.782 nan 8.150 nan 0.000 0.499 329 K N 1.739 122.276 120.400 0.227 0.000 2.358 329 K HA 0.221 4.540 4.320 -0.001 0.000 0.197 329 K C 0.704 177.369 176.600 0.108 0.000 1.025 329 K CA 0.874 57.249 56.287 0.147 0.000 1.104 329 K CB 0.633 33.210 32.500 0.129 0.000 0.855 329 K HN 0.868 nan 8.250 nan 0.000 0.531 330 G N 0.401 109.259 108.800 0.096 0.000 2.606 330 G HA2 0.339 4.298 3.960 -0.001 0.000 0.300 330 G HA3 0.339 4.298 3.960 -0.001 0.000 0.300 330 G C -1.705 172.874 174.900 -0.536 0.000 1.360 330 G CA -0.556 44.392 45.100 -0.252 0.000 0.783 330 G HN -0.116 nan 8.290 nan 0.000 0.484 331 E N -0.402 119.392 120.200 -0.677 0.000 2.174 331 E HA 0.684 5.033 4.350 -0.001 0.000 0.282 331 E C -1.147 174.931 176.600 -0.870 0.000 0.992 331 E CA -0.079 56.004 56.400 -0.527 0.000 0.803 331 E CB 1.178 30.741 29.700 -0.228 0.000 1.090 331 E HN 0.278 nan 8.360 nan 0.000 0.396 332 F N 0.441 120.359 119.950 -0.053 0.000 2.603 332 F HA 0.442 4.969 4.527 -0.001 0.000 0.317 332 F C 0.215 175.898 175.800 -0.195 0.000 1.066 332 F CA -1.018 56.926 58.000 -0.095 0.000 0.941 332 F CB 1.743 40.715 39.000 -0.047 0.000 1.291 332 F HN 0.218 nan 8.300 nan 0.000 0.472 333 E N 1.100 121.277 120.200 -0.039 0.000 2.222 333 E HA 0.698 5.047 4.350 -0.001 0.000 0.267 333 E C -1.973 174.500 176.600 -0.212 0.000 0.884 333 E CA -0.668 55.666 56.400 -0.110 0.000 0.764 333 E CB 2.249 31.905 29.700 -0.073 0.000 1.169 333 E HN 0.476 nan 8.360 nan 0.000 0.413 334 V N 5.019 124.827 119.914 -0.175 0.000 2.462 334 V HA 0.153 4.273 4.120 -0.001 0.000 0.288 334 V C -0.385 175.730 176.094 0.035 0.000 1.020 334 V CA -0.573 61.629 62.300 -0.164 0.000 0.857 334 V CB 1.202 32.831 31.823 -0.322 0.000 1.013 334 V HN 0.945 nan 8.190 nan 0.000 0.431 335 Q N 3.309 123.153 119.800 0.072 0.000 2.468 335 Q HA -0.270 4.070 4.340 -0.001 0.000 0.289 335 Q C 1.311 177.260 176.000 -0.084 0.000 1.299 335 Q CA 1.136 56.963 55.803 0.040 0.000 0.838 335 Q CB -1.309 27.495 28.738 0.110 0.000 1.195 335 Q HN 1.641 nan 8.270 nan 0.000 0.456 336 G N -1.370 107.355 108.800 -0.126 0.000 2.241 336 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.244 336 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.244 336 G C -0.102 174.613 174.900 -0.309 0.000 0.998 336 G CA 0.228 45.186 45.100 -0.237 0.000 0.621 336 G HN 0.544 nan 8.290 nan 0.000 0.519 337 H N 0.424 119.459 119.070 -0.058 0.000 2.527 337 H HA 0.574 5.129 4.556 -0.001 0.000 0.321 337 H C 0.477 175.738 175.328 -0.112 0.000 1.087 337 H CA -0.202 55.804 56.048 -0.070 0.000 1.337 337 H CB 1.462 31.188 29.762 -0.060 0.000 1.440 337 H HN 0.234 nan 8.280 nan 0.000 0.490 338 R N 2.761 123.243 120.500 -0.030 0.000 2.265 338 R HA 0.321 4.660 4.340 -0.001 0.000 0.319 338 R C -0.549 175.563 176.300 -0.313 0.000 1.006 338 R CA -0.395 55.591 56.100 -0.190 0.000 0.880 338 R CB 0.091 30.239 30.300 -0.253 0.000 1.077 338 R HN 0.532 nan 8.270 nan 0.000 0.454 339 I N 4.597 125.026 120.570 -0.234 0.000 2.353 339 I HA 0.244 4.413 4.170 -0.001 0.000 0.293 339 I C -0.028 175.941 176.117 -0.248 0.000 0.992 339 I CA -0.583 60.629 61.300 -0.147 0.000 1.268 339 I CB 1.161 39.228 38.000 0.112 0.000 1.387 339 I HN 0.665 nan 8.210 nan 0.000 0.478 340 H N 3.607 122.713 119.070 0.060 0.000 2.567 340 H HA 0.233 4.788 4.556 -0.001 0.000 0.345 340 H C -0.092 175.259 175.328 0.039 0.000 1.169 340 H CA -0.842 55.219 56.048 0.021 0.000 1.227 340 H CB 1.032 30.796 29.762 0.002 0.000 1.607 340 H HN 0.435 nan 8.280 nan 0.000 0.534 341 E N 1.338 121.625 120.200 0.145 0.000 2.608 341 E HA -0.073 4.276 4.350 -0.001 0.000 0.259 341 E C 0.901 177.555 176.600 0.091 0.000 0.951 341 E CA 1.303 57.758 56.400 0.092 0.000 0.945 341 E CB 0.235 29.961 29.700 0.043 0.000 0.916 341 E HN 0.985 nan 8.360 nan 0.000 0.477 342 G N 4.464 113.313 108.800 0.082 0.000 2.199 342 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.254 342 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.254 342 G C 0.027 174.959 174.900 0.053 0.000 0.982 342 G CA 0.273 45.407 45.100 0.058 0.000 0.632 342 G HN 0.611 nan 8.290 nan 0.000 0.529 343 D N 0.544 120.989 120.400 0.074 0.000 2.414 343 D HA 0.397 5.036 4.640 -0.001 0.000 0.242 343 D C 1.128 177.440 176.300 0.019 0.000 1.129 343 D CA -0.035 53.992 54.000 0.045 0.000 0.885 343 D CB 0.730 41.570 40.800 0.067 0.000 1.198 343 D HN 0.287 nan 8.370 nan 0.000 0.437 344 L N 2.059 123.260 121.223 -0.036 0.000 2.367 344 L HA 0.236 4.575 4.340 -0.001 0.000 0.275 344 L C -0.241 176.594 176.870 -0.058 0.000 1.129 344 L CA -0.383 54.420 54.840 -0.061 0.000 0.839 344 L CB 0.866 42.838 42.059 -0.145 0.000 1.133 344 L HN 0.008 nan 8.230 nan 0.000 0.453 345 V N 2.792 122.714 119.914 0.013 0.000 2.656 345 V HA 0.801 4.920 4.120 -0.001 0.000 0.307 345 V C -0.119 176.066 176.094 0.153 0.000 1.051 345 V CA -0.581 61.767 62.300 0.079 0.000 0.893 345 V CB 1.708 33.632 31.823 0.168 0.000 0.999 345 V HN 0.873 nan 8.190 nan 0.000 0.426 346 A N 3.054 125.889 122.820 0.024 0.000 2.454 346 A HA 1.041 5.360 4.320 -0.001 0.000 0.302 346 A C -0.499 176.792 177.584 -0.488 0.000 1.079 346 A CA -0.246 51.725 52.037 -0.111 0.000 0.731 346 A CB 2.002 20.974 19.000 -0.047 0.000 1.299 346 A HN 1.509 nan 8.150 nan 0.000 0.413 347 A N 0.014 122.333 122.820 -0.835 0.000 2.423 347 A HA 0.863 5.182 4.320 -0.001 0.000 0.304 347 A C -0.288 177.136 177.584 -0.268 0.000 1.104 347 A CA -0.217 51.364 52.037 -0.759 0.000 0.757 347 A CB 1.552 19.688 19.000 -1.440 0.000 1.313 347 A HN 1.754 nan 8.150 nan 0.000 0.423 348 S N 1.167 116.803 115.700 -0.107 0.000 2.774 348 S HA 0.557 5.027 4.470 -0.001 0.000 0.297 348 S C -2.286 172.321 174.600 0.011 0.000 1.143 348 S CA -1.342 56.851 58.200 -0.013 0.000 1.090 348 S CB 1.183 64.381 63.200 -0.002 0.000 1.019 348 S HN 0.334 nan 8.310 nan 0.000 0.482 349 P HA -0.008 nan 4.420 nan 0.000 0.218 349 P C 1.454 178.697 177.300 -0.095 0.000 1.149 349 P CA 1.144 64.216 63.100 -0.047 0.000 0.817 349 P CB 0.124 31.772 31.700 -0.087 0.000 0.785 350 A N -0.301 122.475 122.820 -0.075 0.000 1.883 350 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 350 A C 2.044 179.583 177.584 -0.075 0.000 1.186 350 A CA 1.748 53.727 52.037 -0.096 0.000 0.624 350 A CB -1.447 17.497 19.000 -0.093 0.000 0.822 350 A HN 0.042 nan 8.150 nan 0.000 0.444 351 I N -0.463 120.084 120.570 -0.037 0.000 2.339 351 I HA -0.070 4.099 4.170 -0.001 0.000 0.245 351 I C 2.565 178.699 176.117 0.028 0.000 1.096 351 I CA 1.443 62.739 61.300 -0.006 0.000 1.408 351 I CB -1.632 36.369 38.000 0.001 0.000 1.092 351 I HN 0.195 nan 8.210 nan 0.000 0.423 352 S N 1.566 117.293 115.700 0.045 0.000 2.382 352 S HA -0.150 4.319 4.470 -0.001 0.000 0.228 352 S C 1.611 176.307 174.600 0.158 0.000 1.027 352 S CA 1.183 59.456 58.200 0.122 0.000 0.991 352 S CB -0.343 62.950 63.200 0.154 0.000 0.823 352 S HN 0.434 nan 8.310 nan 0.000 0.469 353 N N 0.980 119.662 118.700 -0.030 0.000 2.573 353 N HA 0.022 4.762 4.740 -0.001 0.000 0.187 353 N C 0.967 176.290 175.510 -0.312 0.000 1.107 353 N CA 0.570 53.452 53.050 -0.280 0.000 0.918 353 N CB 0.003 38.248 38.487 -0.402 0.000 0.966 353 N HN 0.387 nan 8.380 nan 0.000 0.448 354 R N -0.335 120.143 120.500 -0.037 0.000 2.565 354 R HA 0.308 4.647 4.340 -0.001 0.000 0.347 354 R C -0.193 176.173 176.300 0.109 0.000 1.010 354 R CA -0.310 55.779 56.100 -0.019 0.000 1.126 354 R CB 0.711 30.967 30.300 -0.073 0.000 1.331 354 R HN 0.116 nan 8.270 nan 0.000 0.552 355 I N 4.392 125.116 120.570 0.256 0.000 2.742 355 I HA -0.042 4.127 4.170 -0.001 0.000 0.287 355 I C -1.128 175.069 176.117 0.134 0.000 1.186 355 I CA -1.027 60.377 61.300 0.173 0.000 1.417 355 I CB 0.822 38.922 38.000 0.166 0.000 1.377 355 I HN -0.129 nan 8.210 nan 0.000 0.556 356 P HA -0.131 nan 4.420 nan 0.000 0.225 356 P C 1.155 178.448 177.300 -0.011 0.000 1.156 356 P CA 0.890 63.999 63.100 0.015 0.000 0.787 356 P CB 0.303 32.003 31.700 0.001 0.000 0.802 357 E N 0.330 120.517 120.200 -0.023 0.000 2.204 357 E HA -0.140 4.209 4.350 -0.001 0.000 0.194 357 E C 1.239 177.759 176.600 -0.133 0.000 0.989 357 E CA 1.229 57.596 56.400 -0.055 0.000 0.824 357 E CB -0.407 29.272 29.700 -0.035 0.000 0.756 357 E HN 0.085 nan 8.360 nan 0.000 0.477 358 D N -1.294 118.970 120.400 -0.227 0.000 2.262 358 D HA 0.031 4.670 4.640 -0.001 0.000 0.212 358 D C -0.410 175.406 176.300 -0.807 0.000 0.964 358 D CA 0.569 54.233 54.000 -0.560 0.000 0.875 358 D CB 0.243 40.572 40.800 -0.786 0.000 0.996 358 D HN 0.099 nan 8.370 nan 0.000 0.497 359 F N 1.013 120.951 119.950 -0.020 0.000 2.443 359 F HA 0.369 4.896 4.527 -0.001 0.000 0.369 359 F C -2.324 173.430 175.800 -0.077 0.000 1.090 359 F CA -2.759 55.212 58.000 -0.049 0.000 1.129 359 F CB 1.448 40.433 39.000 -0.025 0.000 1.367 359 F HN -0.362 nan 8.300 nan 0.000 0.465 360 P HA 0.008 nan 4.420 nan 0.000 0.264 360 P C -0.304 176.996 177.300 -0.001 0.000 1.183 360 P CA 0.479 63.575 63.100 -0.006 0.000 0.763 360 P CB 0.402 32.084 31.700 -0.030 0.000 0.807 361 D N 2.656 123.050 120.400 -0.011 0.000 2.812 361 D HA -0.136 4.503 4.640 -0.001 0.000 0.237 361 D C -1.376 174.893 176.300 -0.052 0.000 1.162 361 D CA 0.225 54.216 54.000 -0.014 0.000 0.740 361 D CB -0.882 39.922 40.800 0.007 0.000 1.000 361 D HN 0.377 nan 8.370 nan 0.000 0.416 362 P HA -0.149 nan 4.420 nan 0.000 0.226 362 P C 0.994 178.112 177.300 -0.304 0.000 1.153 362 P CA 1.079 64.050 63.100 -0.215 0.000 0.777 362 P CB 0.197 31.728 31.700 -0.281 0.000 0.794 363 H N -1.016 118.067 119.070 0.022 0.000 2.539 363 H HA 0.187 4.742 4.556 -0.001 0.000 0.269 363 H C 0.104 175.460 175.328 0.045 0.000 0.980 363 H CA 0.087 56.144 56.048 0.014 0.000 1.152 363 H CB -0.065 29.712 29.762 0.024 0.000 1.407 363 H HN 0.201 nan 8.280 nan 0.000 0.564 364 D N 0.455 120.919 120.400 0.106 0.000 2.175 364 D HA 0.055 4.694 4.640 -0.001 0.000 0.248 364 D C -0.360 175.998 176.300 0.096 0.000 1.047 364 D CA -0.554 53.522 54.000 0.126 0.000 0.883 364 D CB 1.275 42.127 40.800 0.087 0.000 1.180 364 D HN 0.007 nan 8.370 nan 0.000 0.438 365 F N 2.359 122.283 119.950 -0.043 0.000 2.434 365 F HA 0.260 4.786 4.527 -0.001 0.000 0.358 365 F C -0.425 175.269 175.800 -0.177 0.000 1.136 365 F CA -0.252 57.647 58.000 -0.169 0.000 1.157 365 F CB 0.263 38.992 39.000 -0.452 0.000 1.167 365 F HN -0.036 nan 8.300 nan 0.000 0.539 366 V N 9.410 129.034 119.914 -0.482 0.000 2.465 366 V HA 0.186 4.305 4.120 -0.001 0.000 0.263 366 V C -1.800 174.033 176.094 -0.435 0.000 0.981 366 V CA -1.030 61.055 62.300 -0.358 0.000 0.838 366 V CB 0.935 32.638 31.823 -0.201 0.000 1.068 366 V HN 0.556 nan 8.190 nan 0.000 0.458 367 P HA -0.148 nan 4.420 nan 0.000 0.219 367 P C 1.665 178.883 177.300 -0.136 0.000 1.146 367 P CA 1.537 64.485 63.100 -0.253 0.000 0.808 367 P CB 0.343 31.918 31.700 -0.210 0.000 0.779 368 A N 0.088 122.812 122.820 -0.160 0.000 2.084 368 A HA -0.233 4.087 4.320 -0.001 0.000 0.221 368 A C 2.326 179.776 177.584 -0.223 0.000 1.161 368 A CA 1.272 53.227 52.037 -0.137 0.000 0.653 368 A CB -1.277 17.663 19.000 -0.100 0.000 0.802 368 A HN 0.067 nan 8.150 nan 0.000 0.457 369 R N -2.025 118.235 120.500 -0.400 0.000 2.170 369 R HA -0.190 4.149 4.340 -0.001 0.000 0.242 369 R C 0.720 176.603 176.300 -0.696 0.000 1.145 369 R CA 1.733 57.465 56.100 -0.614 0.000 0.984 369 R CB -0.228 29.458 30.300 -1.023 0.000 0.869 369 R HN 0.735 nan 8.270 nan 0.000 0.455 370 Y N -0.509 119.701 120.300 -0.150 0.000 2.467 370 Y HA 0.238 4.787 4.550 -0.001 0.000 0.250 370 Y C 0.291 176.109 175.900 -0.137 0.000 1.155 370 Y CA -0.490 57.502 58.100 -0.181 0.000 1.249 370 Y CB 0.246 38.580 38.460 -0.210 0.000 1.146 370 Y HN -0.060 nan 8.280 nan 0.000 0.524 371 E N 0.905 121.087 120.200 -0.031 0.000 2.409 371 E HA -0.085 4.264 4.350 -0.001 0.000 0.257 371 E C 1.161 177.737 176.600 -0.041 0.000 1.150 371 E CA -0.180 56.204 56.400 -0.027 0.000 0.942 371 E CB 0.479 30.157 29.700 -0.037 0.000 0.979 371 E HN 0.123 nan 8.360 nan 0.000 0.447 372 Q N 1.313 121.093 119.800 -0.033 0.000 2.181 372 Q HA -0.126 4.213 4.340 -0.001 0.000 0.205 372 Q C -0.890 175.084 176.000 -0.044 0.000 0.980 372 Q CA 1.737 57.518 55.803 -0.037 0.000 0.862 372 Q CB -0.921 27.799 28.738 -0.029 0.000 0.905 372 Q HN 0.374 nan 8.270 nan 0.000 0.429 373 P HA -0.015 nan 4.420 nan 0.000 0.225 373 P C 0.800 178.064 177.300 -0.061 0.000 1.156 373 P CA 1.058 64.130 63.100 -0.047 0.000 0.787 373 P CB -0.026 31.649 31.700 -0.042 0.000 0.802 374 R N -1.105 119.349 120.500 -0.078 0.000 2.119 374 R HA 0.188 4.527 4.340 -0.001 0.000 0.202 374 R C 0.464 176.696 176.300 -0.113 0.000 1.114 374 R CA 0.009 56.047 56.100 -0.103 0.000 1.089 374 R CB -0.335 29.883 30.300 -0.136 0.000 1.000 374 R HN 0.014 nan 8.270 nan 0.000 0.487 375 Q N 0.916 120.649 119.800 -0.112 0.000 2.423 375 Q HA -0.230 4.109 4.340 -0.001 0.000 0.332 375 Q C 0.040 175.971 176.000 -0.115 0.000 1.355 375 Q CA 0.493 56.239 55.803 -0.095 0.000 0.947 375 Q CB -0.951 27.738 28.738 -0.081 0.000 1.189 375 Q HN 0.466 nan 8.270 nan 0.000 0.418 376 E N 0.421 120.523 120.200 -0.163 0.000 2.268 376 E HA -0.196 4.153 4.350 -0.001 0.000 0.195 376 E C 1.479 178.064 176.600 -0.026 0.000 0.995 376 E CA 1.129 57.469 56.400 -0.100 0.000 0.836 376 E CB 0.085 29.735 29.700 -0.085 0.000 0.763 376 E HN 0.616 nan 8.360 nan 0.000 0.491 377 D N 1.118 121.392 120.400 -0.210 0.000 2.097 377 D HA -0.193 4.446 4.640 -0.001 0.000 0.197 377 D C 1.993 178.148 176.300 -0.241 0.000 0.984 377 D CA 0.997 54.599 54.000 -0.663 0.000 0.826 377 D CB -0.592 39.290 40.800 -1.530 0.000 0.973 377 D HN 0.244 nan 8.370 nan 0.000 0.460 378 L N -0.545 120.561 121.223 -0.195 0.000 2.131 378 L HA 0.011 4.350 4.340 -0.001 0.000 0.206 378 L C 2.567 179.377 176.870 -0.100 0.000 1.087 378 L CA 0.289 55.049 54.840 -0.134 0.000 0.767 378 L CB -0.336 41.651 42.059 -0.121 0.000 0.917 378 L HN 0.042 nan 8.230 nan 0.000 0.441 379 L N -0.121 121.050 121.223 -0.086 0.000 2.141 379 L HA -0.034 4.305 4.340 -0.001 0.000 0.209 379 L C 1.065 177.896 176.870 -0.065 0.000 1.094 379 L CA 1.614 56.408 54.840 -0.076 0.000 0.763 379 L CB -0.374 41.634 42.059 -0.084 0.000 0.908 379 L HN 0.226 nan 8.230 nan 0.000 0.437 380 N N 0.837 119.521 118.700 -0.026 0.000 3.301 380 N HA 0.088 4.827 4.740 -0.001 0.000 0.289 380 N C 0.804 176.349 175.510 0.059 0.000 1.343 380 N CA -0.054 53.009 53.050 0.022 0.000 1.136 380 N CB 0.400 38.892 38.487 0.009 0.000 1.402 380 N HN 0.500 nan 8.380 nan 0.000 0.516 381 R N -0.482 119.933 120.500 -0.142 0.000 2.127 381 R HA -0.099 4.241 4.340 -0.001 0.000 0.238 381 R C 0.560 176.579 176.300 -0.468 0.000 1.134 381 R CA 1.111 56.964 56.100 -0.411 0.000 0.975 381 R CB -0.253 29.573 30.300 -0.790 0.000 0.865 381 R HN 0.383 nan 8.270 nan 0.000 0.447 382 W N 1.240 122.628 121.300 0.147 0.000 3.220 382 W HA 0.153 4.812 4.660 -0.001 0.000 0.328 382 W C 1.280 177.927 176.519 0.212 0.000 1.205 382 W CA 0.454 57.902 57.345 0.173 0.000 1.773 382 W CB 0.647 30.228 29.460 0.202 0.000 1.086 382 W HN 0.195 nan 8.180 nan 0.000 0.622 383 T N -5.647 109.137 114.554 0.383 0.000 2.958 383 T HA 0.031 4.380 4.350 -0.001 0.000 0.256 383 T C -0.016 174.973 174.700 0.482 0.000 0.983 383 T CA -0.340 62.002 62.100 0.404 0.000 0.924 383 T CB -0.372 68.723 68.868 0.379 0.000 1.136 383 T HN 0.015 nan 8.240 nan 0.000 0.506 384 W N 4.036 125.538 121.300 0.337 0.000 2.365 384 W HA 0.553 5.212 4.660 -0.001 0.000 0.371 384 W C 0.073 176.614 176.519 0.036 0.000 1.006 384 W CA -1.718 55.751 57.345 0.207 0.000 1.528 384 W CB 0.154 29.771 29.460 0.262 0.000 1.497 384 W HN 0.378 nan 8.180 nan 0.000 0.367 385 I N 4.972 125.362 120.570 -0.300 0.000 3.326 385 I HA 0.338 4.508 4.170 -0.001 0.000 0.336 385 I C -1.564 174.319 176.117 -0.391 0.000 1.543 385 I CA -1.549 59.590 61.300 -0.269 0.000 1.013 385 I CB 0.696 38.634 38.000 -0.104 0.000 1.468 385 I HN 0.008 nan 8.210 nan 0.000 0.515 386 P HA -0.072 nan 4.420 nan 0.000 0.220 386 P C 0.750 177.710 177.300 -0.567 0.000 1.148 386 P CA 1.331 64.005 63.100 -0.710 0.000 0.803 386 P CB -0.002 31.058 31.700 -1.067 0.000 0.782 387 F N -0.248 119.551 119.950 -0.252 0.000 2.647 387 F HA 0.435 4.961 4.527 -0.001 0.000 0.300 387 F C 1.759 177.519 175.800 -0.067 0.000 1.106 387 F CA 0.253 58.192 58.000 -0.102 0.000 1.313 387 F CB -0.307 38.662 39.000 -0.051 0.000 1.007 387 F HN 0.028 nan 8.300 nan 0.000 0.536 388 G N 1.153 109.965 108.800 0.020 0.000 2.645 388 G HA2 0.178 4.138 3.960 -0.001 0.000 0.246 388 G HA3 0.178 4.138 3.960 -0.001 0.000 0.246 388 G C -0.442 174.249 174.900 -0.348 0.000 1.322 388 G CA -0.303 44.722 45.100 -0.125 0.000 0.898 388 G HN 1.028 nan 8.290 nan 0.000 0.573 389 A N -2.553 119.976 122.820 -0.484 0.000 2.566 389 A HA 1.052 5.371 4.320 -0.001 0.000 0.290 389 A C 1.348 179.000 177.584 0.113 0.000 1.071 389 A CA 1.228 53.083 52.037 -0.304 0.000 0.658 389 A CB 0.587 19.291 19.000 -0.493 0.000 1.285 389 A HN 3.103 nan 8.150 nan 0.000 0.427 390 G N 0.824 109.766 108.800 0.238 0.000 2.634 390 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.309 390 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.309 390 G C 0.950 175.966 174.900 0.192 0.000 1.265 390 G CA 0.903 46.209 45.100 0.343 0.000 0.998 390 G HN 1.110 nan 8.290 nan 0.000 0.551 391 R N 0.172 120.765 120.500 0.156 0.000 2.096 391 R HA -0.044 4.295 4.340 -0.001 0.000 0.235 391 R C 1.831 178.048 176.300 -0.138 0.000 1.127 391 R CA 1.912 57.987 56.100 -0.041 0.000 0.968 391 R CB -0.634 29.576 30.300 -0.150 0.000 0.861 391 R HN 0.748 nan 8.270 nan 0.000 0.440 392 H N -0.112 119.045 119.070 0.144 0.000 2.487 392 H HA 0.179 4.734 4.556 -0.001 0.000 0.290 392 H C 0.225 175.643 175.328 0.150 0.000 1.081 392 H CA -0.390 55.739 56.048 0.135 0.000 1.116 392 H CB 0.314 30.168 29.762 0.153 0.000 1.560 392 H HN 0.026 nan 8.280 nan 0.000 0.548 393 R N 0.893 121.507 120.500 0.191 0.000 2.638 393 R HA -0.053 4.286 4.340 -0.001 0.000 0.268 393 R C -0.021 176.345 176.300 0.111 0.000 1.006 393 R CA 0.018 56.196 56.100 0.130 0.000 1.088 393 R CB 0.306 30.640 30.300 0.057 0.000 0.950 393 R HN 0.257 nan 8.270 nan 0.000 0.419 394 C N 6.038 125.412 119.300 0.124 0.000 2.519 394 C HA 0.009 4.468 4.460 -0.001 0.000 0.402 394 C C 2.102 177.092 174.990 0.000 0.000 1.475 394 C CA -0.142 58.937 59.018 0.101 0.000 1.504 394 C CB -1.087 26.767 27.740 0.190 0.000 2.454 394 C HN 0.739 nan 8.230 nan 0.000 0.615 395 V N 4.519 124.446 119.914 0.021 0.000 3.129 395 V HA 0.204 4.323 4.120 -0.001 0.000 0.259 395 V C 1.897 177.979 176.094 -0.021 0.000 1.116 395 V CA 1.789 64.084 62.300 -0.009 0.000 1.127 395 V CB -0.983 30.842 31.823 0.003 0.000 0.742 395 V HN 0.952 nan 8.190 nan 0.000 0.474 396 G N -0.454 108.345 108.800 -0.003 0.000 2.985 396 G HA2 0.250 4.210 3.960 -0.001 0.000 0.209 396 G HA3 0.250 4.210 3.960 -0.001 0.000 0.209 396 G C 1.482 176.385 174.900 0.005 0.000 1.165 396 G CA 0.639 45.757 45.100 0.029 0.000 0.776 396 G HN 0.718 nan 8.290 nan 0.000 0.541 397 A N 1.360 124.052 122.820 -0.213 0.000 1.877 397 A HA 0.203 4.522 4.320 -0.001 0.000 0.216 397 A C 2.786 180.176 177.584 -0.324 0.000 1.186 397 A CA 2.151 53.814 52.037 -0.624 0.000 0.620 397 A CB -0.723 17.589 19.000 -1.148 0.000 0.822 397 A HN 0.660 nan 8.150 nan 0.000 0.443 398 A N -1.235 121.485 122.820 -0.167 0.000 1.902 398 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 398 A C 2.079 179.671 177.584 0.013 0.000 1.181 398 A CA 1.641 53.636 52.037 -0.071 0.000 0.623 398 A CB -0.754 18.225 19.000 -0.034 0.000 0.818 398 A HN 0.702 nan 8.150 nan 0.000 0.443 399 F N 0.986 120.904 119.950 -0.055 0.000 2.102 399 F HA -0.094 4.432 4.527 -0.001 0.000 0.298 399 F C 2.512 178.310 175.800 -0.002 0.000 1.105 399 F CA 1.402 59.394 58.000 -0.013 0.000 1.239 399 F CB -0.380 38.609 39.000 -0.018 0.000 0.991 399 F HN 0.245 nan 8.300 nan 0.000 0.474 400 A N 0.495 123.398 122.820 0.138 0.000 1.933 400 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 400 A C 2.266 179.861 177.584 0.019 0.000 1.175 400 A CA 1.930 54.026 52.037 0.098 0.000 0.628 400 A CB -1.158 17.992 19.000 0.249 0.000 0.814 400 A HN 0.518 nan 8.150 nan 0.000 0.444 401 I N -0.870 119.707 120.570 0.013 0.000 2.286 401 I HA -0.225 3.944 4.170 -0.001 0.000 0.245 401 I C 2.702 178.802 176.117 -0.029 0.000 1.104 401 I CA 1.344 62.659 61.300 0.024 0.000 1.397 401 I CB -0.263 37.742 38.000 0.009 0.000 1.072 401 I HN 0.389 nan 8.210 nan 0.000 0.417 402 M N 0.775 120.320 119.600 -0.091 0.000 2.108 402 M HA -0.284 4.195 4.480 -0.001 0.000 0.261 402 M C 2.296 178.509 176.300 -0.145 0.000 1.066 402 M CA 1.984 57.217 55.300 -0.112 0.000 1.107 402 M CB -0.701 31.810 32.600 -0.149 0.000 1.356 402 M HN 0.325 nan 8.290 nan 0.000 0.406 403 Q N -0.017 119.618 119.800 -0.275 0.000 2.079 403 Q HA -0.162 4.177 4.340 -0.001 0.000 0.200 403 Q C 1.955 177.920 176.000 -0.058 0.000 0.974 403 Q CA 1.609 57.257 55.803 -0.258 0.000 0.840 403 Q CB -0.072 28.428 28.738 -0.397 0.000 0.898 403 Q HN 0.502 nan 8.270 nan 0.000 0.430 404 I N 1.192 121.771 120.570 0.016 0.000 2.208 404 I HA -0.279 3.891 4.170 -0.001 0.000 0.245 404 I C 2.114 178.372 176.117 0.236 0.000 1.097 404 I CA 1.615 63.014 61.300 0.167 0.000 1.363 404 I CB -0.859 37.226 38.000 0.141 0.000 1.051 404 I HN 0.288 nan 8.210 nan 0.000 0.413 405 K N 0.787 121.265 120.400 0.129 0.000 2.057 405 K HA -0.126 4.193 4.320 -0.001 0.000 0.207 405 K C 2.232 178.931 176.600 0.166 0.000 1.049 405 K CA 1.589 57.967 56.287 0.151 0.000 0.931 405 K CB -0.212 32.348 32.500 0.099 0.000 0.714 405 K HN 0.302 nan 8.250 nan 0.000 0.440 406 A N 1.402 124.280 122.820 0.097 0.000 1.873 406 A HA -0.122 4.197 4.320 -0.001 0.000 0.215 406 A C 2.141 179.755 177.584 0.050 0.000 1.186 406 A CA 1.188 53.272 52.037 0.078 0.000 0.616 406 A CB -0.562 18.452 19.000 0.023 0.000 0.823 406 A HN 0.155 nan 8.150 nan 0.000 0.442 407 I N -1.778 118.802 120.570 0.015 0.000 2.127 407 I HA -0.268 3.902 4.170 -0.001 0.000 0.241 407 I C 2.216 178.240 176.117 -0.154 0.000 1.075 407 I CA 1.621 62.864 61.300 -0.095 0.000 1.334 407 I CB -0.401 37.486 38.000 -0.188 0.000 1.040 407 I HN 0.316 nan 8.210 nan 0.000 0.405 408 F N 0.279 120.272 119.950 0.072 0.000 2.456 408 F HA -0.085 4.441 4.527 -0.001 0.000 0.298 408 F C 2.692 178.543 175.800 0.084 0.000 1.104 408 F CA 0.736 58.783 58.000 0.078 0.000 1.435 408 F CB -0.462 38.562 39.000 0.040 0.000 1.078 408 F HN -0.081 nan 8.300 nan 0.000 0.546 409 S N -0.130 115.693 115.700 0.206 0.000 2.400 409 S HA -0.142 4.327 4.470 -0.001 0.000 0.232 409 S C 2.199 176.772 174.600 -0.044 0.000 1.025 409 S CA 1.258 59.515 58.200 0.095 0.000 0.993 409 S CB -0.353 62.934 63.200 0.144 0.000 0.808 409 S HN 0.138 nan 8.310 nan 0.000 0.478 410 V N 1.650 121.555 119.914 -0.015 0.000 2.300 410 V HA -0.028 4.092 4.120 -0.001 0.000 0.241 410 V C 2.160 178.278 176.094 0.040 0.000 1.034 410 V CA 1.215 63.493 62.300 -0.037 0.000 1.021 410 V CB -0.705 31.089 31.823 -0.048 0.000 0.662 410 V HN 0.388 nan 8.190 nan 0.000 0.458 411 L N -0.283 120.982 121.223 0.069 0.000 2.012 411 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 411 L C 2.334 179.459 176.870 0.424 0.000 1.073 411 L CA 1.632 56.611 54.840 0.232 0.000 0.748 411 L CB -0.542 41.595 42.059 0.129 0.000 0.891 411 L HN 0.309 nan 8.230 nan 0.000 0.431 412 L N -1.009 120.438 121.223 0.373 0.000 2.478 412 L HA -0.057 4.282 4.340 -0.001 0.000 0.223 412 L C 2.523 179.557 176.870 0.274 0.000 1.140 412 L CA 0.513 55.611 54.840 0.431 0.000 0.842 412 L CB -0.337 41.968 42.059 0.408 0.000 0.953 412 L HN 0.215 nan 8.230 nan 0.000 0.452 413 R N -0.477 120.113 120.500 0.149 0.000 2.173 413 R HA -0.008 4.331 4.340 -0.001 0.000 0.208 413 R C 1.793 178.091 176.300 -0.003 0.000 1.035 413 R CA 0.420 56.549 56.100 0.048 0.000 1.004 413 R CB 0.260 30.530 30.300 -0.050 0.000 0.917 413 R HN 0.298 nan 8.270 nan 0.000 0.462 414 E N -0.486 119.719 120.200 0.008 0.000 2.166 414 E HA 0.038 4.387 4.350 -0.001 0.000 0.192 414 E C -0.086 176.279 176.600 -0.391 0.000 0.967 414 E CA 0.914 57.215 56.400 -0.165 0.000 0.840 414 E CB 0.308 29.954 29.700 -0.090 0.000 0.795 414 E HN 0.167 nan 8.360 nan 0.000 0.470 415 Y N 0.272 120.586 120.300 0.023 0.000 2.545 415 Y HA 0.316 4.866 4.550 -0.001 0.000 0.348 415 Y C 0.170 175.962 175.900 -0.179 0.000 1.002 415 Y CA -0.901 57.125 58.100 -0.123 0.000 1.039 415 Y CB 1.767 40.067 38.460 -0.267 0.000 1.271 415 Y HN -0.269 nan 8.280 nan 0.000 0.467 416 E N 1.850 122.001 120.200 -0.082 0.000 2.191 416 E HA 0.471 4.821 4.350 -0.001 0.000 0.274 416 E C -1.688 174.789 176.600 -0.205 0.000 0.948 416 E CA -0.666 55.726 56.400 -0.013 0.000 0.802 416 E CB 1.743 31.439 29.700 -0.006 0.000 1.137 416 E HN 0.352 nan 8.360 nan 0.000 0.397 417 F N 1.096 121.249 119.950 0.339 0.000 2.520 417 F HA 0.374 4.901 4.527 -0.001 0.000 0.322 417 F C 0.280 176.201 175.800 0.201 0.000 1.103 417 F CA -0.665 57.488 58.000 0.254 0.000 0.926 417 F CB 1.917 41.069 39.000 0.253 0.000 1.154 417 F HN 0.272 nan 8.300 nan 0.000 0.453 418 E N 2.464 122.821 120.200 0.262 0.000 2.340 418 E HA 0.445 4.794 4.350 -0.001 0.000 0.273 418 E C -1.111 175.564 176.600 0.125 0.000 0.891 418 E CA -1.090 55.405 56.400 0.158 0.000 0.757 418 E CB 2.761 32.508 29.700 0.077 0.000 1.231 418 E HN 0.515 nan 8.360 nan 0.000 0.439 419 M N 1.409 121.073 119.600 0.107 0.000 2.228 419 M HA 0.146 4.625 4.480 -0.001 0.000 0.351 419 M C 0.601 176.976 176.300 0.126 0.000 1.233 419 M CA 0.352 55.745 55.300 0.155 0.000 1.129 419 M CB 0.723 33.443 32.600 0.201 0.000 1.604 419 M HN 0.717 nan 8.290 nan 0.000 0.457 420 A N 3.140 126.038 122.820 0.130 0.000 2.348 420 A HA 0.129 4.448 4.320 -0.001 0.000 0.224 420 A C 0.337 177.924 177.584 0.005 0.000 1.227 420 A CA 0.033 52.092 52.037 0.037 0.000 0.885 420 A CB 0.111 19.109 19.000 -0.003 0.000 0.933 420 A HN 0.851 nan 8.150 nan 0.000 0.506 421 Q N -1.031 118.779 119.800 0.016 0.000 2.668 421 Q HA 0.604 4.943 4.340 -0.001 0.000 0.298 421 Q C -3.127 172.848 176.000 -0.041 0.000 1.071 421 Q CA -2.519 53.228 55.803 -0.094 0.000 0.789 421 Q CB 0.541 29.117 28.738 -0.270 0.000 1.497 421 Q HN -0.066 nan 8.270 nan 0.000 0.460 422 P HA 0.118 nan 4.420 nan 0.000 0.268 422 P C -2.141 175.195 177.300 0.060 0.000 1.205 422 P CA -0.953 62.143 63.100 -0.005 0.000 0.771 422 P CB 0.273 31.958 31.700 -0.025 0.000 0.858 423 P HA -0.177 nan 4.420 nan 0.000 0.218 423 P C 0.673 178.124 177.300 0.251 0.000 1.148 423 P CA 1.503 64.743 63.100 0.234 0.000 0.822 423 P CB 0.006 31.767 31.700 0.101 0.000 0.784 424 E N -0.896 119.387 120.200 0.138 0.000 2.482 424 E HA -0.049 4.301 4.350 -0.001 0.000 0.196 424 E C 1.709 178.372 176.600 0.106 0.000 1.047 424 E CA 0.778 57.257 56.400 0.133 0.000 0.869 424 E CB -0.698 29.052 29.700 0.084 0.000 0.836 424 E HN 0.321 nan 8.360 nan 0.000 0.520 425 S N -0.653 115.055 115.700 0.015 0.000 2.558 425 S HA 0.007 4.476 4.470 -0.001 0.000 0.217 425 S C 0.192 174.686 174.600 -0.176 0.000 0.975 425 S CA -0.392 57.744 58.200 -0.105 0.000 0.912 425 S CB -0.298 62.779 63.200 -0.205 0.000 0.776 425 S HN 0.116 nan 8.310 nan 0.000 0.526 426 Y N 3.688 123.991 120.300 0.006 0.000 2.359 426 Y HA 0.518 5.067 4.550 -0.001 0.000 0.334 426 Y C 0.881 176.858 175.900 0.127 0.000 1.058 426 Y CA -0.529 57.532 58.100 -0.065 0.000 1.244 426 Y CB 0.620 38.934 38.460 -0.243 0.000 1.187 426 Y HN 0.356 nan 8.280 nan 0.000 0.510 427 R N 1.109 121.763 120.500 0.256 0.000 2.716 427 R HA 0.491 4.830 4.340 -0.001 0.000 0.271 427 R C -1.664 174.844 176.300 0.347 0.000 1.028 427 R CA -1.103 55.238 56.100 0.402 0.000 0.883 427 R CB 1.033 31.467 30.300 0.224 0.000 1.250 427 R HN 0.390 nan 8.270 nan 0.000 0.465 428 N N 0.674 119.576 118.700 0.337 0.000 2.515 428 N HA 0.113 4.852 4.740 -0.001 0.000 0.279 428 N C -1.270 174.176 175.510 -0.106 0.000 1.164 428 N CA -0.148 52.947 53.050 0.076 0.000 0.982 428 N CB 1.032 39.420 38.487 -0.166 0.000 1.170 428 N HN 0.547 nan 8.380 nan 0.000 0.474 429 D N 0.065 120.378 120.400 -0.145 0.000 2.317 429 D HA 0.129 4.768 4.640 -0.001 0.000 0.234 429 D C -0.354 175.800 176.300 -0.244 0.000 1.112 429 D CA -0.065 53.864 54.000 -0.117 0.000 0.840 429 D CB 0.237 41.019 40.800 -0.030 0.000 1.078 429 D HN 0.463 nan 8.370 nan 0.000 0.486 430 H N 0.912 119.981 119.070 -0.001 0.000 2.487 430 H HA 0.105 4.661 4.556 -0.001 0.000 0.290 430 H C 1.669 176.940 175.328 -0.094 0.000 1.081 430 H CA 0.122 56.137 56.048 -0.055 0.000 1.116 430 H CB 0.657 30.368 29.762 -0.085 0.000 1.560 430 H HN 0.325 nan 8.280 nan 0.000 0.548 431 S N -0.238 115.470 115.700 0.013 0.000 2.481 431 S HA 0.001 4.470 4.470 -0.001 0.000 0.231 431 S C 0.842 175.421 174.600 -0.035 0.000 0.996 431 S CA 0.333 58.523 58.200 -0.017 0.000 0.942 431 S CB 0.267 63.459 63.200 -0.014 0.000 0.768 431 S HN 0.055 nan 8.310 nan 0.000 0.520 432 K N 0.352 120.733 120.400 -0.032 0.000 2.340 432 K HA 0.482 4.802 4.320 -0.001 0.000 0.244 432 K C 0.798 177.382 176.600 -0.027 0.000 0.973 432 K CA -0.764 55.505 56.287 -0.031 0.000 0.828 432 K CB 0.951 33.434 32.500 -0.029 0.000 1.226 432 K HN 0.097 nan 8.250 nan 0.000 0.437 433 M N 0.173 119.767 119.600 -0.011 0.000 2.374 433 M HA -0.023 4.456 4.480 -0.001 0.000 0.264 433 M C 0.578 176.925 176.300 0.078 0.000 1.067 433 M CA 0.897 56.223 55.300 0.043 0.000 1.103 433 M CB 0.020 32.667 32.600 0.078 0.000 1.402 433 M HN 0.079 nan 8.290 nan 0.000 0.444 434 V N 2.458 122.379 119.914 0.011 0.000 2.389 434 V HA 0.100 4.219 4.120 -0.001 0.000 0.264 434 V C 0.278 176.321 176.094 -0.085 0.000 1.049 434 V CA -0.489 61.727 62.300 -0.140 0.000 0.932 434 V CB 0.773 32.431 31.823 -0.275 0.000 1.011 434 V HN -0.035 nan 8.190 nan 0.000 0.475 435 V N 6.442 126.367 119.914 0.017 0.000 2.637 435 V HA 0.259 4.378 4.120 -0.001 0.000 0.296 435 V C 0.218 176.354 176.094 0.070 0.000 1.046 435 V CA -0.215 62.112 62.300 0.044 0.000 1.066 435 V CB 1.009 32.901 31.823 0.115 0.000 0.968 435 V HN 0.844 nan 8.190 nan 0.000 0.483 436 Q N 2.463 122.282 119.800 0.032 0.000 2.423 436 Q HA 0.476 4.815 4.340 -0.001 0.000 0.278 436 Q C -0.899 175.152 176.000 0.084 0.000 1.097 436 Q CA -1.213 54.650 55.803 0.100 0.000 0.809 436 Q CB 2.935 31.758 28.738 0.142 0.000 1.391 436 Q HN 0.597 nan 8.270 nan 0.000 0.428 437 L N 1.608 122.900 121.223 0.114 0.000 2.525 437 L HA 0.200 4.539 4.340 -0.001 0.000 0.278 437 L C -0.297 176.602 176.870 0.049 0.000 1.218 437 L CA 0.540 55.424 54.840 0.074 0.000 0.878 437 L CB 0.421 42.463 42.059 -0.029 0.000 1.127 437 L HN 0.779 nan 8.230 nan 0.000 0.492 438 A N 5.255 128.098 122.820 0.038 0.000 2.351 438 A HA 0.468 4.787 4.320 -0.001 0.000 0.257 438 A C -0.243 177.341 177.584 -0.001 0.000 1.087 438 A CA -0.362 51.688 52.037 0.022 0.000 0.798 438 A CB 0.270 19.282 19.000 0.020 0.000 1.033 438 A HN 0.803 nan 8.150 nan 0.000 0.488 439 Q N 1.019 120.817 119.800 -0.003 0.000 2.266 439 Q HA 0.503 4.842 4.340 -0.001 0.000 0.261 439 Q C -2.173 173.803 176.000 -0.040 0.000 0.985 439 Q CA -1.719 54.071 55.803 -0.022 0.000 0.873 439 Q CB 1.234 29.965 28.738 -0.012 0.000 1.306 439 Q HN 0.705 nan 8.270 nan 0.000 0.447 440 P HA 0.319 nan 4.420 nan 0.000 0.276 440 P C -1.511 175.725 177.300 -0.107 0.000 1.244 440 P CA -0.507 62.549 63.100 -0.074 0.000 0.801 440 P CB 0.990 32.638 31.700 -0.087 0.000 1.006 441 A N 0.827 123.619 122.820 -0.046 0.000 3.317 441 A HA 0.585 4.904 4.320 -0.001 0.000 0.307 441 A C 0.184 177.847 177.584 0.132 0.000 1.003 441 A CA -0.520 51.547 52.037 0.050 0.000 0.882 441 A CB -0.262 18.795 19.000 0.096 0.000 1.136 441 A HN 0.683 nan 8.150 nan 0.000 0.488 442 A N 0.561 123.411 122.820 0.051 0.000 2.409 442 A HA 0.638 4.957 4.320 -0.001 0.000 0.262 442 A C -0.188 177.467 177.584 0.119 0.000 1.113 442 A CA 0.008 52.070 52.037 0.042 0.000 0.790 442 A CB 0.374 19.358 19.000 -0.027 0.000 1.046 442 A HN 0.962 nan 8.150 nan 0.000 0.496 443 V N 3.705 123.651 119.914 0.054 0.000 2.760 443 V HA 0.434 4.553 4.120 -0.001 0.000 0.309 443 V C -0.024 176.068 176.094 -0.004 0.000 1.077 443 V CA -0.712 61.630 62.300 0.069 0.000 0.910 443 V CB 2.030 33.899 31.823 0.077 0.000 1.008 443 V HN 0.993 nan 8.190 nan 0.000 0.424 444 R N 2.752 123.248 120.500 -0.007 0.000 2.407 444 R HA 0.613 4.952 4.340 -0.001 0.000 0.303 444 R C -1.281 174.953 176.300 -0.111 0.000 0.981 444 R CA -0.487 55.522 56.100 -0.152 0.000 0.905 444 R CB 1.589 31.798 30.300 -0.152 0.000 1.099 444 R HN 0.782 nan 8.270 nan 0.000 0.459 445 Y N -0.343 119.791 120.300 -0.277 0.000 2.549 445 Y HA 0.718 5.267 4.550 -0.002 0.000 0.339 445 Y C -0.603 175.175 175.900 -0.204 0.000 1.053 445 Y CA -1.547 56.315 58.100 -0.396 0.000 1.105 445 Y CB 1.385 39.395 38.460 -0.751 0.000 1.258 445 Y HN 0.469 nan 8.280 nan 0.000 0.478 446 R N 2.017 122.607 120.500 0.150 0.000 2.566 446 R HA 0.402 4.741 4.340 -0.001 0.000 0.271 446 R C -1.203 175.239 176.300 0.236 0.000 1.071 446 R CA -0.846 55.367 56.100 0.187 0.000 0.915 446 R CB 1.653 31.961 30.300 0.012 0.000 1.228 446 R HN 0.990 nan 8.270 nan 0.000 0.449 447 R N 2.877 123.475 120.500 0.164 0.000 2.583 447 R HA 0.036 4.376 4.340 -0.001 0.000 0.274 447 R C -0.131 176.081 176.300 -0.147 0.000 0.998 447 R CA 0.539 56.507 56.100 -0.220 0.000 1.081 447 R CB 0.502 30.683 30.300 -0.198 0.000 0.940 447 R HN 0.463 nan 8.270 nan 0.000 0.413 448 R N 1.383 121.766 120.500 -0.196 0.000 2.539 448 R HA 0.239 4.578 4.340 -0.001 0.000 0.275 448 R C 0.404 176.646 176.300 -0.097 0.000 1.077 448 R CA 0.495 56.532 56.100 -0.104 0.000 1.097 448 R CB 1.008 31.262 30.300 -0.077 0.000 1.018 448 R HN 0.715 nan 8.270 nan 0.000 0.483 449 T N 0.000 114.517 114.554 -0.061 0.000 3.816 449 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 449 T CA 0.000 62.070 62.100 -0.050 0.000 1.349 449 T CB 0.000 68.843 68.868 -0.042 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658