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 2vb9_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.309 55.300 0.016 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 K N 2.812 123.218 120.400 0.010 0.000 2.436 2 K HA 0.239 4.559 4.320 -0.000 0.000 0.275 2 K C -0.377 176.226 176.600 0.005 0.000 0.999 2 K CA 0.291 56.582 56.287 0.006 0.000 0.980 2 K CB 0.166 32.667 32.500 0.000 0.000 0.919 2 K HN 0.395 nan 8.250 nan 0.000 0.484 3 R N 0.479 120.980 120.500 0.002 0.000 2.474 3 R HA 0.520 4.860 4.340 -0.000 0.000 0.295 3 R C -0.463 175.830 176.300 -0.011 0.000 0.980 3 R CA -0.656 55.444 56.100 -0.000 0.000 0.934 3 R CB 1.671 31.971 30.300 -0.000 0.000 1.101 3 R HN 0.659 nan 8.270 nan 0.000 0.469 4 A N 2.540 125.351 122.820 -0.015 0.000 2.318 4 A HA 0.595 4.915 4.320 -0.000 0.000 0.317 4 A C -0.356 177.208 177.584 -0.033 0.000 1.159 4 A CA -0.671 51.346 52.037 -0.033 0.000 0.799 4 A CB 1.031 20.005 19.000 -0.044 0.000 1.194 4 A HN 0.524 nan 8.150 nan 0.000 0.479 5 V N 0.297 120.187 119.914 -0.040 0.000 3.046 5 V HA 0.723 4.843 4.120 -0.000 0.000 0.316 5 V C -0.535 175.536 176.094 -0.037 0.000 1.104 5 V CA -1.092 61.188 62.300 -0.034 0.000 1.006 5 V CB 1.731 33.535 31.823 -0.033 0.000 1.058 5 V HN 0.621 nan 8.190 nan 0.000 0.440 6 I N 2.937 123.501 120.570 -0.010 0.000 2.336 6 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 6 I C 1.031 177.217 176.117 0.115 0.000 0.991 6 I CA 0.197 61.505 61.300 0.014 0.000 1.227 6 I CB 1.362 39.360 38.000 -0.003 0.000 1.366 6 I HN 1.057 nan 8.210 nan 0.000 0.466 7 T N 0.961 115.574 114.554 0.098 0.000 3.043 7 T HA 0.467 4.817 4.350 -0.000 0.000 0.272 7 T C 0.470 175.317 174.700 0.245 0.000 0.990 7 T CA -0.320 61.859 62.100 0.132 0.000 0.897 7 T CB 0.561 69.448 68.868 0.031 0.000 1.111 7 T HN 0.760 nan 8.240 nan 0.000 0.529 8 G N 1.411 110.355 108.800 0.241 0.000 2.667 8 G HA2 0.570 4.530 3.960 -0.000 0.000 0.294 8 G HA3 0.570 4.530 3.960 -0.000 0.000 0.294 8 G C -1.921 173.008 174.900 0.048 0.000 1.467 8 G CA -0.916 44.321 45.100 0.228 0.000 0.852 8 G HN 0.639 nan 8.290 nan 0.000 0.521 9 L N -0.963 120.263 121.223 0.005 0.000 2.409 9 L HA 1.084 5.423 4.340 -0.000 0.000 0.255 9 L C -0.013 176.831 176.870 -0.044 0.000 1.027 9 L CA -0.950 53.834 54.840 -0.095 0.000 0.834 9 L CB 1.991 43.901 42.059 -0.249 0.000 1.426 9 L HN 1.242 nan 8.230 nan 0.000 0.411 10 G N 0.535 109.299 108.800 -0.060 0.000 2.746 10 G HA2 0.724 4.684 3.960 -0.000 0.000 0.297 10 G HA3 0.724 4.684 3.960 -0.000 0.000 0.297 10 G C -2.132 172.744 174.900 -0.041 0.000 1.426 10 G CA -0.552 44.526 45.100 -0.037 0.000 0.989 10 G HN 0.982 nan 8.290 nan 0.000 0.520 11 I N 1.035 121.594 120.570 -0.017 0.000 2.743 11 I HA 0.578 4.748 4.170 -0.000 0.000 0.292 11 I C -1.489 174.624 176.117 -0.006 0.000 1.343 11 I CA -0.909 60.379 61.300 -0.019 0.000 1.038 11 I CB 2.296 40.286 38.000 -0.017 0.000 1.311 11 I HN 0.344 nan 8.210 nan 0.000 0.426 12 V N 6.514 126.409 119.914 -0.031 0.000 2.380 12 V HA 0.613 4.733 4.120 -0.000 0.000 0.286 12 V C -0.309 175.695 176.094 -0.149 0.000 1.015 12 V CA -0.247 62.008 62.300 -0.075 0.000 0.834 12 V CB 1.306 33.089 31.823 -0.067 0.000 1.009 12 V HN 0.798 nan 8.190 nan 0.000 0.428 13 S N 2.231 117.870 115.700 -0.102 0.000 2.661 13 S HA 0.440 4.910 4.470 -0.000 0.000 0.285 13 S C 1.094 175.641 174.600 -0.087 0.000 1.138 13 S CA 0.089 58.244 58.200 -0.075 0.000 0.855 13 S CB 1.865 65.109 63.200 0.072 0.000 1.136 13 S HN 0.938 nan 8.310 nan 0.000 0.484 14 S N 0.626 116.281 115.700 -0.075 0.000 2.465 14 S HA -0.118 4.352 4.470 -0.000 0.000 0.241 14 S C 1.426 176.003 174.600 -0.039 0.000 1.000 14 S CA 1.198 59.357 58.200 -0.068 0.000 0.964 14 S CB -1.160 62.013 63.200 -0.045 0.000 0.763 14 S HN 1.104 nan 8.310 nan 0.000 0.512 15 I N -2.774 117.779 120.570 -0.028 0.000 4.025 15 I HA 0.670 4.840 4.170 -0.000 0.000 0.336 15 I C 0.581 176.681 176.117 -0.028 0.000 1.390 15 I CA -0.312 60.963 61.300 -0.042 0.000 1.099 15 I CB 0.294 38.237 38.000 -0.096 0.000 1.049 15 I HN 0.305 nan 8.210 nan 0.000 0.394 16 G N 1.126 109.917 108.800 -0.015 0.000 2.368 16 G HA2 0.030 3.990 3.960 -0.000 0.000 0.301 16 G HA3 0.030 3.990 3.960 -0.000 0.000 0.301 16 G C -0.909 173.989 174.900 -0.003 0.000 1.640 16 G CA -0.658 44.438 45.100 -0.006 0.000 0.941 16 G HN 0.006 nan 8.290 nan 0.000 0.695 17 N N 0.154 118.852 118.700 -0.003 0.000 2.270 17 N HA 0.119 4.859 4.740 -0.000 0.000 0.198 17 N C 0.371 175.890 175.510 0.015 0.000 1.117 17 N CA 0.529 53.579 53.050 0.001 0.000 0.845 17 N CB 0.418 38.909 38.487 0.006 0.000 0.980 17 N HN 0.831 nan 8.380 nan 0.000 0.486 18 N N -1.510 117.201 118.700 0.019 0.000 3.116 18 N HA -0.003 4.737 4.740 -0.000 0.000 0.244 18 N C 0.373 175.904 175.510 0.034 0.000 1.485 18 N CA -0.664 52.401 53.050 0.026 0.000 0.884 18 N CB 0.491 38.993 38.487 0.026 0.000 1.415 18 N HN -0.145 nan 8.380 nan 0.000 0.524 19 Q N -1.310 118.516 119.800 0.043 0.000 2.291 19 Q HA -0.063 4.277 4.340 -0.000 0.000 0.205 19 Q C 0.752 176.781 176.000 0.048 0.000 0.970 19 Q CA 1.334 57.175 55.803 0.062 0.000 0.876 19 Q CB -0.204 28.582 28.738 0.080 0.000 0.935 19 Q HN 0.610 nan 8.270 nan 0.000 0.455 20 Q N 1.283 121.098 119.800 0.025 0.000 2.049 20 Q HA -0.089 4.251 4.340 -0.000 0.000 0.198 20 Q C 1.726 177.710 176.000 -0.028 0.000 0.971 20 Q CA 1.840 57.637 55.803 -0.011 0.000 0.833 20 Q CB 0.093 28.825 28.738 -0.010 0.000 0.896 20 Q HN 0.565 nan 8.270 nan 0.000 0.434 21 E N -0.549 119.644 120.200 -0.012 0.000 2.077 21 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 21 E C 1.943 178.529 176.600 -0.023 0.000 0.989 21 E CA 1.335 57.723 56.400 -0.020 0.000 0.800 21 E CB -0.022 29.672 29.700 -0.009 0.000 0.746 21 E HN 0.115 nan 8.360 nan 0.000 0.452 22 V N 1.530 121.447 119.914 0.004 0.000 2.358 22 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 22 V C 2.314 178.404 176.094 -0.007 0.000 1.047 22 V CA 1.362 63.670 62.300 0.014 0.000 1.035 22 V CB -0.392 31.497 31.823 0.111 0.000 0.658 22 V HN 0.229 nan 8.190 nan 0.000 0.452 23 L N 1.137 122.358 121.223 -0.004 0.000 2.013 23 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 23 L C 2.430 179.212 176.870 -0.147 0.000 1.073 23 L CA 2.612 57.421 54.840 -0.052 0.000 0.753 23 L CB -0.992 40.977 42.059 -0.151 0.000 0.890 23 L HN 0.220 nan 8.230 nan 0.000 0.432 24 A N -1.400 121.340 122.820 -0.134 0.000 1.877 24 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 24 A C 2.370 179.880 177.584 -0.123 0.000 1.186 24 A CA 1.985 53.934 52.037 -0.145 0.000 0.620 24 A CB -1.072 17.864 19.000 -0.106 0.000 0.822 24 A HN 0.557 nan 8.150 nan 0.000 0.443 25 S N 0.014 115.659 115.700 -0.093 0.000 2.359 25 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 25 S C 1.841 176.385 174.600 -0.095 0.000 1.035 25 S CA 1.634 59.781 58.200 -0.089 0.000 1.018 25 S CB -0.531 62.615 63.200 -0.090 0.000 0.876 25 S HN 0.503 nan 8.310 nan 0.000 0.448 26 L N 0.753 121.924 121.223 -0.087 0.000 2.046 26 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 26 L C 2.743 179.620 176.870 0.012 0.000 1.077 26 L CA 1.282 56.112 54.840 -0.017 0.000 0.747 26 L CB -0.416 41.724 42.059 0.134 0.000 0.896 26 L HN 0.223 nan 8.230 nan 0.000 0.432 27 R N -0.010 120.388 120.500 -0.170 0.000 2.115 27 R HA -0.125 4.215 4.340 -0.000 0.000 0.230 27 R C 1.787 178.003 176.300 -0.141 0.000 1.111 27 R CA 1.064 56.988 56.100 -0.293 0.000 0.976 27 R CB -0.081 29.913 30.300 -0.509 0.000 0.870 27 R HN 0.470 nan 8.270 nan 0.000 0.445 28 E N -0.591 119.541 120.200 -0.113 0.000 2.489 28 E HA 0.063 4.413 4.350 -0.000 0.000 0.193 28 E C 0.603 177.174 176.600 -0.048 0.000 1.057 28 E CA 0.261 56.615 56.400 -0.076 0.000 0.866 28 E CB 0.546 30.201 29.700 -0.075 0.000 0.916 28 E HN 0.435 nan 8.360 nan 0.000 0.500 29 G N 2.917 111.693 108.800 -0.041 0.000 2.305 29 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.287 29 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.287 29 G C 0.078 174.956 174.900 -0.036 0.000 1.036 29 G CA 0.543 45.625 45.100 -0.031 0.000 0.887 29 G HN 0.235 nan 8.290 nan 0.000 0.505 30 R N 0.259 120.731 120.500 -0.048 0.000 2.298 30 R HA 0.475 4.814 4.340 -0.000 0.000 0.310 30 R C 0.799 177.076 176.300 -0.040 0.000 1.068 30 R CA 0.228 56.304 56.100 -0.040 0.000 0.957 30 R CB 0.509 30.783 30.300 -0.043 0.000 1.003 30 R HN 0.249 nan 8.270 nan 0.000 0.454 31 S N 2.202 117.890 115.700 -0.020 0.000 2.549 31 S HA 0.196 4.666 4.470 -0.000 0.000 0.279 31 S C 0.935 175.535 174.600 -0.000 0.000 1.321 31 S CA -0.201 57.993 58.200 -0.010 0.000 1.054 31 S CB 1.115 64.320 63.200 0.009 0.000 0.899 31 S HN 0.799 nan 8.310 nan 0.000 0.497 32 G N 4.303 113.104 108.800 0.001 0.000 3.337 32 G HA2 0.236 4.196 3.960 -0.000 0.000 0.246 32 G HA3 0.236 4.196 3.960 -0.000 0.000 0.246 32 G C 0.117 175.050 174.900 0.054 0.000 1.131 32 G CA -0.249 44.859 45.100 0.013 0.000 0.773 32 G HN 0.616 nan 8.290 nan 0.000 0.544 33 I N 2.411 123.027 120.570 0.076 0.000 2.365 33 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 33 I C 0.555 176.775 176.117 0.171 0.000 1.004 33 I CA -0.410 60.971 61.300 0.134 0.000 1.311 33 I CB 0.664 38.735 38.000 0.118 0.000 1.401 33 I HN 0.058 nan 8.210 nan 0.000 0.491 34 T N 2.599 117.310 114.554 0.262 0.000 2.901 34 T HA 0.537 4.887 4.350 -0.000 0.000 0.293 34 T C -0.472 174.379 174.700 0.252 0.000 1.084 34 T CA -0.721 61.541 62.100 0.270 0.000 1.008 34 T CB 1.828 70.874 68.868 0.296 0.000 1.170 34 T HN 0.210 nan 8.240 nan 0.000 0.509 35 F N 1.772 121.771 119.950 0.082 0.000 2.529 35 F HA 0.509 5.036 4.527 -0.000 0.000 0.365 35 F C 0.539 176.253 175.800 -0.144 0.000 1.102 35 F CA -0.091 57.902 58.000 -0.010 0.000 1.271 35 F CB 0.791 39.794 39.000 0.004 0.000 1.120 35 F HN 0.660 nan 8.300 nan 0.000 0.579 36 S N 4.999 119.883 115.700 -1.359 0.000 2.520 36 S HA 0.176 4.646 4.470 -0.000 0.000 0.324 36 S C 0.665 174.426 174.600 -1.399 0.000 1.069 36 S CA -0.668 56.668 58.200 -1.440 0.000 1.121 36 S CB 1.113 63.052 63.200 -2.103 0.000 0.971 36 S HN 0.885 nan 8.310 nan 0.000 0.463 37 Q N 3.382 122.706 119.800 -0.793 0.000 2.135 37 Q HA -0.137 4.202 4.340 -0.000 0.000 0.204 37 Q C 1.777 177.546 176.000 -0.384 0.000 0.981 37 Q CA 2.320 57.893 55.803 -0.383 0.000 0.856 37 Q CB -0.146 28.575 28.738 -0.029 0.000 0.902 37 Q HN 0.910 nan 8.270 nan 0.000 0.425 38 E N -0.532 119.431 120.200 -0.395 0.000 2.038 38 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 38 E C 1.838 178.252 176.600 -0.309 0.000 1.000 38 E CA 1.423 57.670 56.400 -0.254 0.000 0.803 38 E CB -0.230 29.427 29.700 -0.071 0.000 0.750 38 E HN 0.458 nan 8.360 nan 0.000 0.448 39 L N 0.652 121.579 121.223 -0.494 0.000 2.017 39 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 39 L C 2.896 179.586 176.870 -0.301 0.000 1.073 39 L CA 1.670 56.329 54.840 -0.301 0.000 0.745 39 L CB -0.592 41.269 42.059 -0.330 0.000 0.894 39 L HN 0.181 nan 8.230 nan 0.000 0.432 40 K N 0.297 120.382 120.400 -0.525 0.000 2.032 40 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 40 K C 1.666 178.036 176.600 -0.384 0.000 1.048 40 K CA 1.930 57.804 56.287 -0.688 0.000 0.927 40 K CB -0.021 32.007 32.500 -0.786 0.000 0.712 40 K HN 0.207 nan 8.250 nan 0.000 0.441 41 D N 0.110 120.319 120.400 -0.317 0.000 2.263 41 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 41 D C 1.821 177.933 176.300 -0.312 0.000 0.971 41 D CA 1.386 55.231 54.000 -0.258 0.000 0.867 41 D CB -0.081 40.588 40.800 -0.219 0.000 0.929 41 D HN 0.359 nan 8.370 nan 0.000 0.492 42 S N -0.923 114.556 115.700 -0.369 0.000 2.561 42 S HA 0.157 4.627 4.470 -0.000 0.000 0.225 42 S C 1.742 176.162 174.600 -0.300 0.000 0.977 42 S CA 0.804 58.700 58.200 -0.508 0.000 0.926 42 S CB 0.162 63.056 63.200 -0.510 0.000 0.769 42 S HN 0.301 nan 8.310 nan 0.000 0.533 43 G N 0.701 109.390 108.800 -0.185 0.000 2.141 43 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.231 43 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.231 43 G C -0.009 174.888 174.900 -0.005 0.000 0.984 43 G CA 0.147 45.194 45.100 -0.089 0.000 0.660 43 G HN 0.501 nan 8.290 nan 0.000 0.525 44 M N -0.535 119.079 119.600 0.024 0.000 2.226 44 M HA 0.386 4.866 4.480 -0.000 0.000 0.324 44 M C 1.841 178.250 176.300 0.182 0.000 1.112 44 M CA -0.015 55.344 55.300 0.098 0.000 1.176 44 M CB 0.543 33.209 32.600 0.111 0.000 1.430 44 M HN 0.167 nan 8.290 nan 0.000 0.462 45 R N -0.246 120.301 120.500 0.078 0.000 2.210 45 R HA 0.086 4.425 4.340 -0.000 0.000 0.203 45 R C 0.492 176.639 176.300 -0.257 0.000 1.010 45 R CA 0.246 56.320 56.100 -0.044 0.000 1.008 45 R CB 0.163 30.434 30.300 -0.047 0.000 0.923 45 R HN 0.539 nan 8.270 nan 0.000 0.469 46 S N 0.405 116.055 115.700 -0.083 0.000 2.452 46 S HA 0.148 4.618 4.470 -0.000 0.000 0.284 46 S C -0.183 174.425 174.600 0.014 0.000 1.171 46 S CA -0.609 57.532 58.200 -0.098 0.000 1.064 46 S CB 0.354 63.532 63.200 -0.037 0.000 0.967 46 S HN 0.345 nan 8.310 nan 0.000 0.484 47 H N 2.835 121.852 119.070 -0.089 0.000 2.510 47 H HA 0.348 4.904 4.556 -0.000 0.000 0.266 47 H C -0.131 174.980 175.328 -0.361 0.000 1.146 47 H CA -0.614 55.275 56.048 -0.265 0.000 0.993 47 H CB 0.570 30.243 29.762 -0.148 0.000 1.727 47 H HN 0.448 nan 8.280 nan 0.000 0.590 48 V N -1.760 118.103 119.914 -0.085 0.000 2.962 48 V HA 0.643 4.763 4.120 -0.000 0.000 0.313 48 V C -1.369 174.797 176.094 0.119 0.000 1.099 48 V CA -0.952 61.337 62.300 -0.017 0.000 0.971 48 V CB 2.226 34.113 31.823 0.106 0.000 1.028 48 V HN 0.393 nan 8.190 nan 0.000 0.430 49 W N 1.171 122.487 121.300 0.026 0.000 3.066 49 W HA 0.829 5.489 4.660 -0.000 0.000 0.330 49 W C -0.329 176.214 176.519 0.040 0.000 1.253 49 W CA -1.743 55.623 57.345 0.036 0.000 1.187 49 W CB 0.910 30.387 29.460 0.028 0.000 1.434 49 W HN 1.042 nan 8.180 nan 0.000 0.572 50 G N 3.536 112.454 108.800 0.197 0.000 2.922 50 G HA2 0.306 4.266 3.960 -0.000 0.000 0.335 50 G HA3 0.306 4.266 3.960 -0.000 0.000 0.335 50 G C -0.295 174.498 174.900 -0.179 0.000 1.016 50 G CA -0.654 44.466 45.100 0.034 0.000 1.306 50 G HN 0.583 nan 8.290 nan 0.000 0.465 51 N N 0.934 119.443 118.700 -0.319 0.000 2.513 51 N HA 0.189 4.928 4.740 -0.000 0.000 0.274 51 N C -0.320 175.022 175.510 -0.279 0.000 1.189 51 N CA -0.521 52.222 53.050 -0.513 0.000 0.975 51 N CB 1.914 39.984 38.487 -0.695 0.000 1.157 51 N HN -0.034 nan 8.380 nan 0.000 0.465 52 V N 1.416 121.147 119.914 -0.306 0.000 2.488 52 V HA 0.092 4.212 4.120 -0.000 0.000 0.277 52 V C 0.576 176.598 176.094 -0.120 0.000 1.046 52 V CA -0.405 61.745 62.300 -0.250 0.000 0.986 52 V CB 0.235 31.803 31.823 -0.425 0.000 0.989 52 V HN 0.613 nan 8.190 nan 0.000 0.475 53 K N 5.741 126.098 120.400 -0.071 0.000 2.363 53 K HA 0.563 4.883 4.320 -0.000 0.000 0.240 53 K C -0.937 175.663 176.600 0.000 0.000 1.169 53 K CA -0.191 56.086 56.287 -0.017 0.000 1.131 53 K CB 0.348 32.846 32.500 -0.002 0.000 1.771 53 K HN 0.402 nan 8.250 nan 0.000 0.380 54 L N 0.725 121.958 121.223 0.016 0.000 2.611 54 L HA 0.275 4.615 4.340 -0.000 0.000 0.260 54 L C -1.901 175.003 176.870 0.056 0.000 0.924 54 L CA -0.557 54.304 54.840 0.036 0.000 0.901 54 L CB 1.944 44.026 42.059 0.039 0.000 1.369 54 L HN 0.193 nan 8.230 nan 0.000 0.415 55 D N 2.120 122.548 120.400 0.047 0.000 2.339 55 D HA 0.238 4.878 4.640 -0.000 0.000 0.241 55 D C 0.962 177.289 176.300 0.044 0.000 1.183 55 D CA 0.475 54.502 54.000 0.045 0.000 0.859 55 D CB 1.467 42.288 40.800 0.034 0.000 1.067 55 D HN 0.707 nan 8.370 nan 0.000 0.484 56 T N -0.062 114.522 114.554 0.049 0.000 3.148 56 T HA 0.013 4.363 4.350 -0.000 0.000 0.253 56 T C 0.785 175.482 174.700 -0.005 0.000 1.134 56 T CA -0.233 61.889 62.100 0.036 0.000 1.051 56 T CB -0.436 68.458 68.868 0.043 0.000 0.959 56 T HN 0.262 nan 8.240 nan 0.000 0.525 57 T N 2.453 117.003 114.554 -0.008 0.000 2.871 57 T HA 0.401 4.750 4.350 -0.000 0.000 0.296 57 T C 1.559 176.243 174.700 -0.028 0.000 0.998 57 T CA 0.735 62.819 62.100 -0.026 0.000 1.162 57 T CB 0.081 68.939 68.868 -0.017 0.000 0.947 57 T HN 0.724 nan 8.240 nan 0.000 0.536 58 G N 2.555 111.326 108.800 -0.048 0.000 2.184 58 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 58 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 58 G C 0.821 175.701 174.900 -0.035 0.000 0.975 58 G CA 0.322 45.395 45.100 -0.044 0.000 0.642 58 G HN 0.698 nan 8.290 nan 0.000 0.536 59 L N -0.345 120.860 121.223 -0.029 0.000 2.395 59 L HA 0.362 4.701 4.340 -0.000 0.000 0.218 59 L C 1.223 178.080 176.870 -0.021 0.000 1.130 59 L CA 0.680 55.519 54.840 -0.001 0.000 0.826 59 L CB -0.113 41.965 42.059 0.032 0.000 0.941 59 L HN 0.285 nan 8.230 nan 0.000 0.451 60 I N -0.579 119.923 120.570 -0.114 0.000 2.545 60 I HA 0.155 4.325 4.170 -0.000 0.000 0.292 60 I C -0.375 175.622 176.117 -0.200 0.000 1.040 60 I CA -0.949 60.207 61.300 -0.240 0.000 1.068 60 I CB 2.313 40.008 38.000 -0.508 0.000 1.251 60 I HN -0.141 nan 8.210 nan 0.000 0.424 61 D N 4.861 125.154 120.400 -0.178 0.000 2.648 61 D HA -0.099 4.541 4.640 -0.000 0.000 0.229 61 D C 1.666 177.870 176.300 -0.160 0.000 1.119 61 D CA -0.009 53.912 54.000 -0.130 0.000 0.850 61 D CB 0.970 41.709 40.800 -0.102 0.000 1.169 61 D HN 0.460 nan 8.370 nan 0.000 0.489 62 R N 4.902 125.322 120.500 -0.133 0.000 2.103 62 R HA -0.219 4.121 4.340 -0.000 0.000 0.242 62 R C 1.042 177.225 176.300 -0.195 0.000 1.142 62 R CA 1.581 57.586 56.100 -0.160 0.000 0.960 62 R CB -0.842 29.383 30.300 -0.124 0.000 0.858 62 R HN 0.529 nan 8.270 nan 0.000 0.439 63 K N 0.622 120.940 120.400 -0.138 0.000 2.439 63 K HA 0.067 4.387 4.320 -0.000 0.000 0.197 63 K C 1.916 178.484 176.600 -0.054 0.000 1.041 63 K CA 0.815 57.036 56.287 -0.110 0.000 0.970 63 K CB 0.258 32.741 32.500 -0.027 0.000 0.773 63 K HN 0.051 nan 8.250 nan 0.000 0.479 64 V N -0.091 119.766 119.914 -0.095 0.000 2.581 64 V HA -0.087 4.033 4.120 -0.000 0.000 0.240 64 V C 1.880 177.890 176.094 -0.141 0.000 1.054 64 V CA 0.741 63.007 62.300 -0.057 0.000 1.076 64 V CB 0.422 32.139 31.823 -0.177 0.000 0.748 64 V HN 0.028 nan 8.190 nan 0.000 0.474 65 V N 2.348 122.096 119.914 -0.277 0.000 2.913 65 V HA -0.178 3.942 4.120 -0.000 0.000 0.260 65 V C 2.726 178.598 176.094 -0.371 0.000 1.098 65 V CA 1.992 64.103 62.300 -0.316 0.000 1.121 65 V CB -0.637 31.001 31.823 -0.308 0.000 0.714 65 V HN 0.696 nan 8.190 nan 0.000 0.487 66 R N -1.011 119.178 120.500 -0.519 0.000 2.193 66 R HA -0.122 4.218 4.340 -0.000 0.000 0.229 66 R C 1.784 177.462 176.300 -1.037 0.000 1.110 66 R CA 1.906 57.470 56.100 -0.894 0.000 0.988 66 R CB -0.718 28.851 30.300 -1.219 0.000 0.871 66 R HN 0.481 nan 8.270 nan 0.000 0.458 67 F N 0.917 120.615 119.950 -0.420 0.000 2.811 67 F HA 0.309 4.836 4.527 -0.000 0.000 0.301 67 F C 0.941 176.596 175.800 -0.242 0.000 1.151 67 F CA 0.194 58.056 58.000 -0.230 0.000 1.412 67 F CB 0.067 39.002 39.000 -0.110 0.000 1.113 67 F HN -0.094 nan 8.300 nan 0.000 0.579 68 M N -0.170 119.323 119.600 -0.179 0.000 2.404 68 M HA 0.305 4.785 4.480 -0.000 0.000 0.338 68 M C 0.400 176.529 176.300 -0.284 0.000 1.150 68 M CA -0.642 54.552 55.300 -0.176 0.000 1.016 68 M CB 1.852 34.348 32.600 -0.173 0.000 1.672 68 M HN -0.005 nan 8.290 nan 0.000 0.448 69 S N 0.315 115.891 115.700 -0.206 0.000 2.713 69 S HA 0.298 4.768 4.470 -0.000 0.000 0.277 69 S C 0.385 174.907 174.600 -0.129 0.000 1.168 69 S CA -0.731 57.396 58.200 -0.122 0.000 0.994 69 S CB 0.906 64.124 63.200 0.030 0.000 1.054 69 S HN 0.659 nan 8.310 nan 0.000 0.555 70 D N 0.907 121.229 120.400 -0.131 0.000 2.144 70 D HA -0.006 4.634 4.640 -0.000 0.000 0.199 70 D C 2.199 178.186 176.300 -0.521 0.000 0.984 70 D CA 1.601 55.332 54.000 -0.449 0.000 0.834 70 D CB -0.889 39.626 40.800 -0.474 0.000 0.955 70 D HN 0.666 nan 8.370 nan 0.000 0.465 71 A N 0.545 123.265 122.820 -0.167 0.000 1.917 71 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 71 A C 2.457 180.050 177.584 0.014 0.000 1.182 71 A CA 2.015 54.051 52.037 -0.002 0.000 0.633 71 A CB -0.571 18.467 19.000 0.063 0.000 0.819 71 A HN 0.177 nan 8.150 nan 0.000 0.448 72 S N -0.473 115.216 115.700 -0.019 0.000 2.387 72 S HA -0.034 4.436 4.470 -0.000 0.000 0.226 72 S C 1.796 176.426 174.600 0.050 0.000 1.026 72 S CA 1.183 59.406 58.200 0.038 0.000 0.972 72 S CB -0.442 62.767 63.200 0.015 0.000 0.814 72 S HN 0.538 nan 8.310 nan 0.000 0.477 73 I N 0.507 121.021 120.570 -0.095 0.000 2.163 73 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 73 I C 2.055 178.232 176.117 0.100 0.000 1.085 73 I CA 1.417 62.664 61.300 -0.089 0.000 1.347 73 I CB -0.434 37.416 38.000 -0.250 0.000 1.044 73 I HN 0.269 nan 8.210 nan 0.000 0.408 74 Y N 0.730 121.074 120.300 0.073 0.000 2.181 74 Y HA -0.166 4.384 4.550 -0.000 0.000 0.288 74 Y C 2.642 178.593 175.900 0.085 0.000 1.146 74 Y CA 0.772 58.911 58.100 0.065 0.000 1.164 74 Y CB -1.315 37.163 38.460 0.030 0.000 0.982 74 Y HN 0.122 nan 8.280 nan 0.000 0.515 75 A N -0.460 122.513 122.820 0.255 0.000 1.898 75 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 75 A C 2.173 179.865 177.584 0.180 0.000 1.181 75 A CA 1.288 53.425 52.037 0.167 0.000 0.620 75 A CB -1.315 17.763 19.000 0.130 0.000 0.819 75 A HN 0.421 nan 8.150 nan 0.000 0.442 76 F N 0.699 120.714 119.950 0.108 0.000 2.095 76 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 76 F C 1.917 177.819 175.800 0.169 0.000 1.104 76 F CA 1.793 59.901 58.000 0.181 0.000 1.232 76 F CB -0.256 38.822 39.000 0.131 0.000 0.987 76 F HN 0.139 nan 8.300 nan 0.000 0.475 77 L N -0.818 120.661 121.223 0.426 0.000 2.083 77 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 77 L C 2.510 179.445 176.870 0.108 0.000 1.083 77 L CA 1.382 56.391 54.840 0.282 0.000 0.752 77 L CB -0.913 41.298 42.059 0.254 0.000 0.899 77 L HN 0.087 nan 8.230 nan 0.000 0.433 78 S N -0.345 115.404 115.700 0.081 0.000 2.368 78 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 78 S C 1.929 176.475 174.600 -0.089 0.000 1.029 78 S CA 1.532 59.735 58.200 0.004 0.000 0.988 78 S CB -0.212 62.994 63.200 0.009 0.000 0.838 78 S HN 0.351 nan 8.310 nan 0.000 0.462 79 M N 1.579 121.069 119.600 -0.183 0.000 2.117 79 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 79 M C 1.929 177.931 176.300 -0.496 0.000 1.065 79 M CA 1.474 56.501 55.300 -0.454 0.000 1.114 79 M CB -0.198 31.932 32.600 -0.784 0.000 1.361 79 M HN 0.238 nan 8.290 nan 0.000 0.408 80 E N -0.167 119.856 120.200 -0.295 0.000 2.058 80 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 80 E C 2.058 178.602 176.600 -0.095 0.000 0.997 80 E CA 1.828 58.149 56.400 -0.132 0.000 0.801 80 E CB -0.232 29.482 29.700 0.024 0.000 0.746 80 E HN 0.692 nan 8.360 nan 0.000 0.450 81 Q N 0.059 119.823 119.800 -0.061 0.000 2.050 81 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 81 Q C 2.236 178.214 176.000 -0.037 0.000 0.980 81 Q CA 1.370 57.158 55.803 -0.024 0.000 0.840 81 Q CB -0.168 28.567 28.738 -0.004 0.000 0.898 81 Q HN 0.238 nan 8.270 nan 0.000 0.424 82 A N 0.776 123.550 122.820 -0.077 0.000 1.898 82 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 82 A C 2.032 179.603 177.584 -0.022 0.000 1.181 82 A CA 1.076 53.091 52.037 -0.036 0.000 0.620 82 A CB -0.597 18.384 19.000 -0.030 0.000 0.819 82 A HN 0.301 nan 8.150 nan 0.000 0.442 83 I N -0.215 120.274 120.570 -0.134 0.000 2.226 83 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 83 I C 2.970 179.060 176.117 -0.045 0.000 1.100 83 I CA 1.085 62.292 61.300 -0.153 0.000 1.374 83 I CB -0.312 37.441 38.000 -0.413 0.000 1.057 83 I HN 0.360 nan 8.210 nan 0.000 0.413 84 A N 0.275 123.079 122.820 -0.027 0.000 1.902 84 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 84 A C 2.020 179.624 177.584 0.034 0.000 1.181 84 A CA 2.336 54.383 52.037 0.017 0.000 0.623 84 A CB -0.716 18.296 19.000 0.020 0.000 0.818 84 A HN 0.436 nan 8.150 nan 0.000 0.443 85 D N -0.325 120.102 120.400 0.044 0.000 2.178 85 D HA 0.024 4.664 4.640 -0.000 0.000 0.202 85 D C 1.847 178.210 176.300 0.105 0.000 0.974 85 D CA 1.353 55.404 54.000 0.085 0.000 0.841 85 D CB -0.167 40.709 40.800 0.126 0.000 0.953 85 D HN 0.333 nan 8.370 nan 0.000 0.478 86 A N -0.641 122.232 122.820 0.090 0.000 2.167 86 A HA 0.363 4.683 4.320 -0.000 0.000 0.214 86 A C 1.807 179.430 177.584 0.066 0.000 1.151 86 A CA 1.073 53.161 52.037 0.085 0.000 0.735 86 A CB -0.615 18.419 19.000 0.056 0.000 0.802 86 A HN 0.455 nan 8.150 nan 0.000 0.467 87 G N -0.958 107.876 108.800 0.057 0.000 2.198 87 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.257 87 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.257 87 G C -0.101 174.843 174.900 0.073 0.000 1.042 87 G CA 0.338 45.471 45.100 0.054 0.000 0.791 87 G HN 0.471 nan 8.290 nan 0.000 0.502 88 L N 1.861 123.139 121.223 0.091 0.000 2.257 88 L HA 0.504 4.844 4.340 -0.000 0.000 0.290 88 L C 1.260 178.269 176.870 0.231 0.000 1.044 88 L CA -0.261 54.677 54.840 0.163 0.000 0.810 88 L CB 1.404 43.570 42.059 0.177 0.000 1.193 88 L HN 0.417 nan 8.230 nan 0.000 0.425 89 S N 2.690 118.513 115.700 0.205 0.000 2.614 89 S HA 0.314 4.784 4.470 -0.000 0.000 0.265 89 S C -1.870 172.864 174.600 0.222 0.000 1.303 89 S CA -1.126 57.182 58.200 0.181 0.000 1.000 89 S CB 1.021 64.278 63.200 0.096 0.000 0.935 89 S HN 0.369 nan 8.310 nan 0.000 0.551 90 P HA -0.147 nan 4.420 nan 0.000 0.215 90 P C 1.382 178.542 177.300 -0.233 0.000 1.157 90 P CA 1.254 64.264 63.100 -0.149 0.000 0.874 90 P CB -0.025 31.627 31.700 -0.080 0.000 0.790 91 E N -0.483 119.666 120.200 -0.084 0.000 2.219 91 E HA -0.197 4.152 4.350 -0.000 0.000 0.198 91 E C 1.940 178.521 176.600 -0.032 0.000 0.998 91 E CA 1.597 57.959 56.400 -0.064 0.000 0.818 91 E CB -0.819 28.870 29.700 -0.019 0.000 0.741 91 E HN 0.269 nan 8.360 nan 0.000 0.477 92 A N 0.487 123.332 122.820 0.041 0.000 1.970 92 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 92 A C 1.823 179.519 177.584 0.186 0.000 1.170 92 A CA 1.268 53.382 52.037 0.128 0.000 0.645 92 A CB -0.334 18.779 19.000 0.187 0.000 0.816 92 A HN 0.453 nan 8.150 nan 0.000 0.447 93 Y N -2.095 118.255 120.300 0.083 0.000 2.423 93 Y HA 0.450 5.000 4.550 -0.000 0.000 0.257 93 Y C 0.623 176.561 175.900 0.064 0.000 1.087 93 Y CA -0.633 57.533 58.100 0.109 0.000 1.258 93 Y CB -0.097 38.500 38.460 0.229 0.000 1.237 93 Y HN 0.160 nan 8.280 nan 0.000 0.517 94 Q N 2.162 121.572 119.800 -0.649 0.000 2.299 94 Q HA 0.197 4.537 4.340 -0.000 0.000 0.246 94 Q C -0.206 175.584 176.000 -0.350 0.000 0.935 94 Q CA -0.272 55.224 55.803 -0.511 0.000 0.887 94 Q CB 0.411 28.813 28.738 -0.559 0.000 1.223 94 Q HN 0.363 nan 8.270 nan 0.000 0.439 95 N N 1.657 120.051 118.700 -0.510 0.000 2.721 95 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 95 N C -1.144 174.124 175.510 -0.403 0.000 1.072 95 N CA 0.742 53.282 53.050 -0.849 0.000 0.710 95 N CB -1.113 37.119 38.487 -0.426 0.000 0.993 95 N HN 0.571 nan 8.380 nan 0.000 0.547 96 N N 0.155 118.733 118.700 -0.203 0.000 2.524 96 N HA 0.326 5.066 4.740 -0.000 0.000 0.261 96 N C -2.019 173.551 175.510 0.099 0.000 0.998 96 N CA -1.880 51.169 53.050 -0.001 0.000 0.915 96 N CB 1.566 40.060 38.487 0.011 0.000 1.187 96 N HN -0.199 nan 8.380 nan 0.000 0.507 97 P HA -0.026 nan 4.420 nan 0.000 0.223 97 P C 0.413 177.750 177.300 0.062 0.000 1.144 97 P CA 1.072 64.242 63.100 0.118 0.000 0.783 97 P CB 0.297 32.047 31.700 0.084 0.000 0.771 98 R N -1.113 119.408 120.500 0.034 0.000 2.388 98 R HA 0.208 4.548 4.340 -0.000 0.000 0.247 98 R C -0.344 175.929 176.300 -0.045 0.000 0.931 98 R CA 0.016 56.107 56.100 -0.015 0.000 1.082 98 R CB 0.414 30.692 30.300 -0.036 0.000 1.135 98 R HN 0.067 nan 8.270 nan 0.000 0.525 99 V N 0.298 120.218 119.914 0.010 0.000 2.444 99 V HA 0.591 4.711 4.120 -0.000 0.000 0.294 99 V C 0.320 176.456 176.094 0.070 0.000 1.022 99 V CA -0.769 61.544 62.300 0.022 0.000 0.850 99 V CB 1.705 33.604 31.823 0.126 0.000 0.992 99 V HN 0.316 nan 8.190 nan 0.000 0.426 100 G N 3.146 111.960 108.800 0.023 0.000 3.042 100 G HA2 0.839 4.799 3.960 -0.000 0.000 0.278 100 G HA3 0.839 4.799 3.960 -0.000 0.000 0.278 100 G C -1.815 173.127 174.900 0.070 0.000 1.371 100 G CA -0.771 44.345 45.100 0.026 0.000 1.009 100 G HN 0.694 nan 8.290 nan 0.000 0.523 101 L N -0.123 121.094 121.223 -0.009 0.000 2.516 101 L HA 0.677 5.017 4.340 -0.000 0.000 0.267 101 L C -1.529 175.258 176.870 -0.138 0.000 0.957 101 L CA -0.652 54.191 54.840 0.005 0.000 0.860 101 L CB 1.691 43.779 42.059 0.047 0.000 1.265 101 L HN 0.434 nan 8.230 nan 0.000 0.403 102 I N 5.240 125.735 120.570 -0.125 0.000 2.476 102 I HA 0.752 4.922 4.170 -0.000 0.000 0.281 102 I C -0.520 175.577 176.117 -0.033 0.000 1.040 102 I CA -0.306 60.899 61.300 -0.158 0.000 1.094 102 I CB 1.770 39.654 38.000 -0.194 0.000 1.219 102 I HN 0.664 nan 8.210 nan 0.000 0.450 103 A N 4.309 127.135 122.820 0.011 0.000 2.547 103 A HA 0.948 5.268 4.320 -0.000 0.000 0.297 103 A C -0.670 176.956 177.584 0.069 0.000 1.056 103 A CA -0.423 51.637 52.037 0.037 0.000 0.688 103 A CB 1.835 20.852 19.000 0.028 0.000 1.282 103 A HN 0.749 nan 8.150 nan 0.000 0.400 104 G N -0.547 108.299 108.800 0.077 0.000 2.866 104 G HA2 0.739 4.699 3.960 -0.000 0.000 0.289 104 G HA3 0.739 4.699 3.960 -0.000 0.000 0.289 104 G C -0.878 174.075 174.900 0.089 0.000 1.396 104 G CA 0.165 45.321 45.100 0.092 0.000 0.848 104 G HN 1.449 nan 8.290 nan 0.000 0.515 105 S N -2.357 113.400 115.700 0.095 0.000 2.595 105 S HA 0.612 5.082 4.470 -0.000 0.000 0.281 105 S C 1.155 175.820 174.600 0.109 0.000 1.117 105 S CA 0.425 58.683 58.200 0.097 0.000 0.873 105 S CB 1.446 64.702 63.200 0.094 0.000 1.108 105 S HN 1.288 nan 8.310 nan 0.000 0.477 106 G N 1.008 109.879 108.800 0.117 0.000 2.430 106 G HA2 0.186 4.146 3.960 -0.000 0.000 0.216 106 G HA3 0.186 4.146 3.960 -0.000 0.000 0.216 106 G C 0.934 175.921 174.900 0.144 0.000 1.146 106 G CA 0.669 45.857 45.100 0.146 0.000 0.793 106 G HN 0.973 nan 8.290 nan 0.000 0.537 107 G N -1.261 107.617 108.800 0.130 0.000 3.079 107 G HA2 0.454 4.414 3.960 -0.000 0.000 0.233 107 G HA3 0.454 4.414 3.960 -0.000 0.000 0.233 107 G C 1.050 176.004 174.900 0.090 0.000 1.062 107 G CA 0.810 45.980 45.100 0.116 0.000 0.809 107 G HN 1.118 nan 8.290 nan 0.000 0.535 108 G N 0.301 109.155 108.800 0.089 0.000 2.543 108 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.286 108 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.286 108 G C 0.309 175.261 174.900 0.088 0.000 1.153 108 G CA 0.599 45.748 45.100 0.082 0.000 0.968 108 G HN 1.350 nan 8.290 nan 0.000 0.544 109 S N 1.571 117.330 115.700 0.098 0.000 2.389 109 S HA 0.655 5.125 4.470 -0.000 0.000 0.201 109 S C -1.241 173.415 174.600 0.093 0.000 1.422 109 S CA -0.075 58.199 58.200 0.123 0.000 1.216 109 S CB 1.746 65.081 63.200 0.225 0.000 1.130 109 S HN 0.304 nan 8.310 nan 0.000 0.465 110 P HA -0.109 nan 4.420 nan 0.000 0.216 110 P C 1.517 178.767 177.300 -0.085 0.000 1.150 110 P CA 0.692 63.775 63.100 -0.028 0.000 0.837 110 P CB 0.135 31.796 31.700 -0.065 0.000 0.786 111 R N -0.805 119.617 120.500 -0.130 0.000 2.083 111 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 111 R C 1.861 178.009 176.300 -0.254 0.000 1.137 111 R CA 1.782 57.719 56.100 -0.272 0.000 0.951 111 R CB -0.988 29.096 30.300 -0.360 0.000 0.851 111 R HN 0.084 nan 8.270 nan 0.000 0.434 112 F N 0.968 120.932 119.950 0.023 0.000 2.367 112 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 112 F C 2.458 178.348 175.800 0.150 0.000 1.094 112 F CA 0.970 59.029 58.000 0.099 0.000 1.409 112 F CB -0.159 38.863 39.000 0.036 0.000 1.064 112 F HN 0.124 nan 8.300 nan 0.000 0.528 113 Q N -0.195 119.728 119.800 0.205 0.000 2.050 113 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 113 Q C 2.423 178.477 176.000 0.090 0.000 0.980 113 Q CA 1.786 57.667 55.803 0.130 0.000 0.840 113 Q CB -0.524 28.257 28.738 0.072 0.000 0.898 113 Q HN 0.270 nan 8.270 nan 0.000 0.424 114 V N 0.725 120.664 119.914 0.040 0.000 2.307 114 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 114 V C 1.948 178.071 176.094 0.048 0.000 1.045 114 V CA 1.796 64.102 62.300 0.010 0.000 1.024 114 V CB -0.669 31.113 31.823 -0.068 0.000 0.651 114 V HN 0.328 nan 8.190 nan 0.000 0.449 115 F N 2.153 122.068 119.950 -0.058 0.000 2.065 115 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 115 F C 2.194 178.021 175.800 0.045 0.000 1.112 115 F CA 2.037 60.024 58.000 -0.022 0.000 1.212 115 F CB -0.939 38.019 39.000 -0.070 0.000 0.975 115 F HN 0.142 nan 8.300 nan 0.000 0.476 116 G N -0.391 108.452 108.800 0.071 0.000 2.440 116 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 116 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 116 G C 1.782 176.600 174.900 -0.136 0.000 1.154 116 G CA 0.941 46.012 45.100 -0.048 0.000 0.767 116 G HN 0.673 nan 8.290 nan 0.000 0.552 117 A N 0.821 123.599 122.820 -0.069 0.000 1.898 117 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 117 A C 2.110 179.638 177.584 -0.093 0.000 1.181 117 A CA 2.049 54.051 52.037 -0.059 0.000 0.620 117 A CB -0.328 18.661 19.000 -0.019 0.000 0.819 117 A HN 0.270 nan 8.150 nan 0.000 0.442 118 D N 0.129 120.454 120.400 -0.125 0.000 2.097 118 D HA -0.008 4.632 4.640 -0.000 0.000 0.197 118 D C 2.280 178.467 176.300 -0.188 0.000 0.984 118 D CA 1.525 55.453 54.000 -0.119 0.000 0.826 118 D CB -0.488 40.260 40.800 -0.086 0.000 0.973 118 D HN 0.384 nan 8.370 nan 0.000 0.460 119 A N 0.755 123.353 122.820 -0.371 0.000 1.883 119 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 119 A C 2.160 179.629 177.584 -0.193 0.000 1.186 119 A CA 1.936 53.752 52.037 -0.368 0.000 0.624 119 A CB -0.632 17.959 19.000 -0.682 0.000 0.822 119 A HN 0.172 nan 8.150 nan 0.000 0.444 120 M N -0.316 119.187 119.600 -0.161 0.000 2.202 120 M HA -0.105 4.375 4.480 -0.000 0.000 0.262 120 M C 1.863 178.125 176.300 -0.064 0.000 1.063 120 M CA 1.551 56.798 55.300 -0.089 0.000 1.097 120 M CB -0.387 32.173 32.600 -0.065 0.000 1.382 120 M HN 0.377 nan 8.290 nan 0.000 0.413 121 R N -0.495 119.966 120.500 -0.066 0.000 2.297 121 R HA 0.219 4.559 4.340 -0.000 0.000 0.197 121 R C 1.123 177.400 176.300 -0.038 0.000 0.943 121 R CA 0.310 56.385 56.100 -0.042 0.000 1.038 121 R CB -0.185 30.095 30.300 -0.034 0.000 0.957 121 R HN 0.459 nan 8.270 nan 0.000 0.484 122 G N 1.067 109.837 108.800 -0.049 0.000 2.543 122 G HA2 0.126 4.086 3.960 -0.000 0.000 0.290 122 G HA3 0.126 4.086 3.960 -0.000 0.000 0.290 122 G C -1.560 173.323 174.900 -0.028 0.000 1.310 122 G CA -0.918 44.160 45.100 -0.037 0.000 1.025 122 G HN -0.058 nan 8.290 nan 0.000 0.502 123 P HA 0.027 nan 4.420 nan 0.000 0.233 123 P C 1.154 178.447 177.300 -0.012 0.000 1.167 123 P CA 0.622 63.715 63.100 -0.012 0.000 0.770 123 P CB 0.404 32.100 31.700 -0.006 0.000 0.837 124 R N -0.853 119.638 120.500 -0.015 0.000 2.290 124 R HA 0.224 4.564 4.340 -0.000 0.000 0.197 124 R C 1.574 177.863 176.300 -0.018 0.000 0.913 124 R CA 0.536 56.629 56.100 -0.012 0.000 1.040 124 R CB -0.167 30.131 30.300 -0.004 0.000 0.992 124 R HN 0.153 nan 8.270 nan 0.000 0.500 125 G N 1.918 110.700 108.800 -0.030 0.000 2.651 125 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.315 125 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.315 125 G C 0.812 175.691 174.900 -0.035 0.000 1.258 125 G CA 0.433 45.513 45.100 -0.034 0.000 1.002 125 G HN 0.208 nan 8.290 nan 0.000 0.551 126 L N 0.480 121.689 121.223 -0.023 0.000 2.081 126 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 126 L C 3.042 179.907 176.870 -0.008 0.000 1.080 126 L CA 2.338 57.168 54.840 -0.017 0.000 0.754 126 L CB -0.512 41.539 42.059 -0.013 0.000 0.893 126 L HN 0.570 nan 8.230 nan 0.000 0.433 127 K N -0.110 120.287 120.400 -0.004 0.000 2.097 127 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 127 K C 2.194 178.811 176.600 0.029 0.000 1.049 127 K CA 1.320 57.612 56.287 0.009 0.000 0.933 127 K CB -0.239 32.265 32.500 0.008 0.000 0.717 127 K HN 0.301 nan 8.250 nan 0.000 0.442 128 A N 0.927 123.753 122.820 0.011 0.000 1.968 128 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 128 A C 2.333 179.946 177.584 0.048 0.000 1.169 128 A CA 1.081 53.130 52.037 0.020 0.000 0.638 128 A CB -0.455 18.512 19.000 -0.054 0.000 0.812 128 A HN 0.053 nan 8.150 nan 0.000 0.446 129 V N -0.458 119.456 119.914 0.000 0.000 2.295 129 V HA 0.165 4.285 4.120 -0.000 0.000 0.246 129 V C 1.689 177.915 176.094 0.221 0.000 1.049 129 V CA 1.151 63.490 62.300 0.065 0.000 1.024 129 V CB -2.022 29.809 31.823 0.013 0.000 0.648 129 V HN 1.251 nan 8.190 nan 0.000 0.447 130 G N 0.581 109.442 108.800 0.102 0.000 2.814 130 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.677 130 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.677 130 G C -1.636 173.221 174.900 -0.071 0.000 1.429 130 G CA -0.082 45.038 45.100 0.033 0.000 0.868 130 G HN 0.351 nan 8.290 nan 0.000 0.553 131 P HA 0.213 nan 4.420 nan 0.000 0.257 131 P C 0.291 177.325 177.300 -0.444 0.000 1.281 131 P CA 0.704 63.562 63.100 -0.405 0.000 0.826 131 P CB 0.017 31.386 31.700 -0.551 0.000 1.237 132 Y N -1.527 118.770 120.300 -0.006 0.000 2.467 132 Y HA 0.109 4.659 4.550 -0.000 0.000 0.250 132 Y C 2.193 178.066 175.900 -0.046 0.000 1.155 132 Y CA -0.162 57.906 58.100 -0.054 0.000 1.249 132 Y CB -0.404 37.926 38.460 -0.216 0.000 1.146 132 Y HN -0.265 nan 8.280 nan 0.000 0.524 133 V N -1.364 118.624 119.914 0.123 0.000 2.548 133 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 133 V C 2.087 178.243 176.094 0.102 0.000 1.055 133 V CA 1.331 63.710 62.300 0.131 0.000 1.065 133 V CB -0.658 31.312 31.823 0.246 0.000 0.681 133 V HN 0.207 nan 8.190 nan 0.000 0.462 134 V N 1.298 121.269 119.914 0.095 0.000 2.295 134 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 134 V C 2.833 178.973 176.094 0.076 0.000 1.049 134 V CA 2.696 65.044 62.300 0.080 0.000 1.024 134 V CB -1.273 30.589 31.823 0.065 0.000 0.648 134 V HN 0.810 nan 8.190 nan 0.000 0.447 135 T N -2.044 112.571 114.554 0.101 0.000 2.915 135 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 135 T C 1.751 176.474 174.700 0.039 0.000 1.071 135 T CA 1.186 63.338 62.100 0.087 0.000 1.132 135 T CB -0.244 68.720 68.868 0.159 0.000 0.878 135 T HN 0.465 nan 8.240 nan 0.000 0.479 136 K N 1.303 121.693 120.400 -0.017 0.000 2.031 136 K HA 0.242 4.562 4.320 -0.000 0.000 0.205 136 K C 2.688 179.297 176.600 0.014 0.000 1.049 136 K CA 1.206 57.419 56.287 -0.123 0.000 0.939 136 K CB -0.254 31.958 32.500 -0.479 0.000 0.717 136 K HN 0.430 nan 8.250 nan 0.000 0.438 137 A N 1.786 124.649 122.820 0.071 0.000 2.095 137 A HA 0.081 4.401 4.320 -0.000 0.000 0.212 137 A C 1.254 178.887 177.584 0.082 0.000 1.162 137 A CA -0.085 52.019 52.037 0.113 0.000 0.753 137 A CB -0.383 18.703 19.000 0.144 0.000 0.840 137 A HN 0.338 nan 8.150 nan 0.000 0.468 138 M N -1.696 117.945 119.600 0.067 0.000 2.250 138 M HA 0.492 4.972 4.480 -0.000 0.000 0.325 138 M C 0.931 177.267 176.300 0.060 0.000 1.084 138 M CA 0.465 55.800 55.300 0.059 0.000 1.161 138 M CB 0.574 33.205 32.600 0.051 0.000 1.481 138 M HN 0.032 nan 8.290 nan 0.000 0.449 139 A N 1.609 124.463 122.820 0.058 0.000 2.015 139 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 139 A C 1.974 179.600 177.584 0.070 0.000 1.163 139 A CA 1.630 53.706 52.037 0.064 0.000 0.646 139 A CB -0.874 18.161 19.000 0.058 0.000 0.806 139 A HN 0.994 nan 8.150 nan 0.000 0.448 140 S N -0.883 114.857 115.700 0.067 0.000 2.634 140 S HA 0.292 4.761 4.470 -0.000 0.000 0.221 140 S C 1.659 176.298 174.600 0.066 0.000 0.952 140 S CA 0.546 58.791 58.200 0.075 0.000 0.930 140 S CB -0.332 62.914 63.200 0.076 0.000 0.780 140 S HN 0.567 nan 8.310 nan 0.000 0.498 141 G N 2.387 111.222 108.800 0.059 0.000 2.574 141 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 141 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 141 G C 1.312 176.246 174.900 0.057 0.000 1.173 141 G CA 1.371 46.502 45.100 0.051 0.000 0.772 141 G HN 0.485 nan 8.290 nan 0.000 0.585 142 V N 1.690 121.645 119.914 0.068 0.000 2.332 142 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 142 V C 3.258 179.402 176.094 0.084 0.000 1.055 142 V CA 2.533 64.881 62.300 0.080 0.000 1.038 142 V CB -0.463 31.409 31.823 0.082 0.000 0.651 142 V HN 0.647 nan 8.190 nan 0.000 0.450 143 S N 0.689 116.435 115.700 0.076 0.000 2.377 143 S HA -0.014 4.456 4.470 -0.000 0.000 0.223 143 S C 2.153 176.794 174.600 0.068 0.000 1.030 143 S CA 0.983 59.224 58.200 0.069 0.000 0.970 143 S CB -0.486 62.753 63.200 0.065 0.000 0.830 143 S HN 0.535 nan 8.310 nan 0.000 0.473 144 A N 0.906 123.760 122.820 0.056 0.000 1.908 144 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 144 A C 2.348 179.945 177.584 0.021 0.000 1.181 144 A CA 1.624 53.679 52.037 0.028 0.000 0.627 144 A CB -1.467 17.540 19.000 0.011 0.000 0.818 144 A HN 0.686 nan 8.150 nan 0.000 0.445 145 C N -1.334 117.994 119.300 0.046 0.000 2.500 145 C HA 0.204 4.664 4.460 -0.000 0.000 0.273 145 C C 2.228 177.308 174.990 0.151 0.000 1.428 145 C CA 0.564 59.617 59.018 0.057 0.000 1.766 145 C CB -1.165 26.612 27.740 0.062 0.000 1.817 145 C HN 0.529 nan 8.230 nan 0.000 0.543 146 L N 0.389 121.727 121.223 0.192 0.000 2.362 146 L HA 0.269 4.609 4.340 -0.000 0.000 0.204 146 L C 2.628 179.669 176.870 0.285 0.000 1.060 146 L CA 1.531 56.566 54.840 0.325 0.000 0.827 146 L CB -1.199 41.022 42.059 0.271 0.000 1.027 146 L HN 0.153 nan 8.230 nan 0.000 0.474 147 A N -0.768 122.150 122.820 0.163 0.000 1.933 147 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 147 A C 2.298 179.960 177.584 0.129 0.000 1.175 147 A CA 2.400 54.522 52.037 0.142 0.000 0.628 147 A CB -0.967 18.088 19.000 0.091 0.000 0.814 147 A HN 0.411 nan 8.150 nan 0.000 0.444 148 T N 0.539 115.140 114.554 0.077 0.000 2.643 148 T HA -0.076 4.274 4.350 -0.000 0.000 0.264 148 T C -0.094 174.625 174.700 0.032 0.000 1.045 148 T CA 1.703 63.822 62.100 0.032 0.000 1.155 148 T CB -1.111 67.728 68.868 -0.048 0.000 0.863 148 T HN 0.502 nan 8.240 nan 0.000 0.420 149 P HA 0.007 nan 4.420 nan 0.000 0.219 149 P C 0.841 178.057 177.300 -0.139 0.000 1.150 149 P CA 1.032 64.094 63.100 -0.062 0.000 0.814 149 P CB -0.264 31.408 31.700 -0.046 0.000 0.787 150 F N 0.469 120.449 119.950 0.050 0.000 2.811 150 F HA 0.139 4.666 4.527 -0.000 0.000 0.301 150 F C 0.967 176.785 175.800 0.031 0.000 1.151 150 F CA 0.304 58.323 58.000 0.031 0.000 1.412 150 F CB -0.459 38.501 39.000 -0.065 0.000 1.113 150 F HN -0.184 nan 8.300 nan 0.000 0.579 151 K N 0.052 120.529 120.400 0.128 0.000 3.117 151 K HA -0.194 4.126 4.320 -0.000 0.000 0.269 151 K C -0.352 176.270 176.600 0.036 0.000 1.098 151 K CA 0.283 56.591 56.287 0.035 0.000 0.785 151 K CB -2.389 30.056 32.500 -0.091 0.000 1.242 151 K HN 0.180 nan 8.250 nan 0.000 0.491 152 I N 1.167 121.834 120.570 0.161 0.000 2.496 152 I HA 0.028 4.198 4.170 -0.000 0.000 0.285 152 I C 1.959 178.248 176.117 0.286 0.000 1.080 152 I CA 0.328 61.741 61.300 0.189 0.000 1.404 152 I CB 0.397 38.508 38.000 0.185 0.000 1.403 152 I HN 0.246 nan 8.210 nan 0.000 0.539 153 H N 3.206 122.314 119.070 0.064 0.000 2.874 153 H HA 0.172 4.728 4.556 -0.000 0.000 0.264 153 H C 1.331 176.677 175.328 0.030 0.000 1.007 153 H CA 0.021 56.092 56.048 0.038 0.000 1.207 153 H CB 1.392 31.171 29.762 0.027 0.000 1.487 153 H HN 0.771 nan 8.280 nan 0.000 0.505 154 G N 1.077 109.965 108.800 0.146 0.000 2.783 154 G HA2 0.215 4.175 3.960 -0.000 0.000 0.182 154 G HA3 0.215 4.175 3.960 -0.000 0.000 0.182 154 G C 0.173 175.092 174.900 0.032 0.000 1.516 154 G CA 0.089 45.231 45.100 0.069 0.000 1.079 154 G HN 0.121 nan 8.290 nan 0.000 0.573 155 V N -0.721 119.183 119.914 -0.016 0.000 2.872 155 V HA 0.449 4.569 4.120 -0.000 0.000 0.307 155 V C -0.240 175.768 176.094 -0.143 0.000 1.072 155 V CA -0.250 62.000 62.300 -0.083 0.000 1.148 155 V CB 1.174 32.888 31.823 -0.182 0.000 0.954 155 V HN 0.736 nan 8.190 nan 0.000 0.490 156 N N 3.307 121.912 118.700 -0.159 0.000 2.747 156 N HA 0.470 5.209 4.740 -0.000 0.000 0.262 156 N C -1.258 174.247 175.510 -0.010 0.000 1.261 156 N CA -0.568 52.425 53.050 -0.094 0.000 0.809 156 N CB 1.085 39.584 38.487 0.021 0.000 1.450 156 N HN 0.997 nan 8.380 nan 0.000 0.560 157 Y N -1.010 119.315 120.300 0.040 0.000 2.750 157 Y HA 0.689 5.239 4.550 -0.000 0.000 0.335 157 Y C -1.207 174.717 175.900 0.039 0.000 1.252 157 Y CA -1.183 56.938 58.100 0.035 0.000 1.064 157 Y CB 0.362 38.839 38.460 0.027 0.000 1.321 157 Y HN 0.085 nan 8.280 nan 0.000 0.451 158 S N 1.521 117.414 115.700 0.322 0.000 2.472 158 S HA 0.720 5.190 4.470 -0.000 0.000 0.303 158 S C -0.682 174.060 174.600 0.238 0.000 1.099 158 S CA -0.713 57.617 58.200 0.215 0.000 1.077 158 S CB 0.745 64.028 63.200 0.139 0.000 1.031 158 S HN 0.522 nan 8.310 nan 0.000 0.487 159 I N 2.785 123.479 120.570 0.206 0.000 2.437 159 I HA 0.450 4.620 4.170 -0.000 0.000 0.298 159 I C 0.142 176.339 176.117 0.133 0.000 0.984 159 I CA -0.411 60.983 61.300 0.157 0.000 1.214 159 I CB 1.774 39.879 38.000 0.175 0.000 1.365 159 I HN 0.646 nan 8.210 nan 0.000 0.469 160 S N 2.388 118.154 115.700 0.111 0.000 2.536 160 S HA 0.689 5.159 4.470 -0.000 0.000 0.287 160 S C -0.296 174.385 174.600 0.134 0.000 1.101 160 S CA -0.556 57.718 58.200 0.124 0.000 0.950 160 S CB 1.828 65.092 63.200 0.107 0.000 1.056 160 S HN 0.692 nan 8.310 nan 0.000 0.481 161 S N 0.166 115.974 115.700 0.179 0.000 2.586 161 S HA 0.619 5.089 4.470 -0.000 0.000 0.218 161 S C 0.607 175.342 174.600 0.224 0.000 0.761 161 S CA -0.109 58.218 58.200 0.212 0.000 0.999 161 S CB -0.693 62.705 63.200 0.330 0.000 1.634 161 S HN 2.336 nan 8.310 nan 0.000 0.482 162 A N 0.850 123.803 122.820 0.223 0.000 5.483 162 A HA -0.348 3.972 4.320 -0.000 0.000 0.309 162 A C 1.710 179.428 177.584 0.224 0.000 1.898 162 A CA 1.248 53.454 52.037 0.282 0.000 0.716 162 A CB -2.305 16.945 19.000 0.417 0.000 1.309 162 A HN 1.575 nan 8.150 nan 0.000 0.380 163 C N 0.135 119.569 119.300 0.223 0.000 2.413 163 C HA 0.275 4.735 4.460 -0.000 0.000 0.292 163 C C 2.701 177.758 174.990 0.111 0.000 1.435 163 C CA 1.353 60.496 59.018 0.208 0.000 1.791 163 C CB -2.038 25.859 27.740 0.262 0.000 1.784 163 C HN 1.540 nan 8.230 nan 0.000 0.548 164 A N -0.013 122.857 122.820 0.084 0.000 2.348 164 A HA 0.143 4.463 4.320 -0.000 0.000 0.224 164 A C 1.923 179.530 177.584 0.038 0.000 1.227 164 A CA 0.801 52.831 52.037 -0.012 0.000 0.885 164 A CB -0.585 18.392 19.000 -0.038 0.000 0.933 164 A HN 0.449 nan 8.150 nan 0.000 0.506 165 T N 1.320 115.950 114.554 0.127 0.000 2.570 165 T HA -0.213 4.137 4.350 -0.000 0.000 0.266 165 T C 2.238 177.003 174.700 0.108 0.000 1.071 165 T CA 2.510 64.704 62.100 0.156 0.000 1.172 165 T CB -0.358 68.588 68.868 0.130 0.000 0.864 165 T HN 0.770 nan 8.240 nan 0.000 0.421 166 S N 1.142 116.869 115.700 0.045 0.000 2.527 166 S HA 0.322 4.792 4.470 -0.000 0.000 0.222 166 S C 2.222 176.800 174.600 -0.037 0.000 0.985 166 S CA 0.567 58.773 58.200 0.010 0.000 0.921 166 S CB -0.257 62.937 63.200 -0.010 0.000 0.772 166 S HN 0.505 nan 8.310 nan 0.000 0.529 167 A N 2.308 125.085 122.820 -0.072 0.000 1.897 167 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 167 A C 2.094 179.610 177.584 -0.112 0.000 1.181 167 A CA 1.169 53.129 52.037 -0.129 0.000 0.620 167 A CB -0.933 17.959 19.000 -0.181 0.000 0.821 167 A HN 0.609 nan 8.150 nan 0.000 0.443 168 H N -0.712 118.385 119.070 0.044 0.000 2.421 168 H HA -0.119 4.437 4.556 -0.000 0.000 0.298 168 H C 2.368 177.683 175.328 -0.022 0.000 1.087 168 H CA 1.347 57.439 56.048 0.073 0.000 1.330 168 H CB -0.586 29.259 29.762 0.138 0.000 1.388 168 H HN 0.539 nan 8.280 nan 0.000 0.526 169 C N 0.629 119.989 119.300 0.100 0.000 2.413 169 C HA -0.119 4.341 4.460 -0.000 0.000 0.276 169 C C 2.999 177.945 174.990 -0.072 0.000 1.236 169 C CA 0.523 59.562 59.018 0.034 0.000 1.735 169 C CB -1.098 26.659 27.740 0.028 0.000 2.031 169 C HN 0.428 nan 8.230 nan 0.000 0.474 170 I N 1.220 121.713 120.570 -0.127 0.000 2.163 170 I HA -0.146 4.024 4.170 -0.000 0.000 0.243 170 I C 2.744 178.661 176.117 -0.334 0.000 1.085 170 I CA 1.933 63.117 61.300 -0.194 0.000 1.347 170 I CB -0.946 36.948 38.000 -0.177 0.000 1.044 170 I HN 0.454 nan 8.210 nan 0.000 0.408 171 G N 0.403 108.835 108.800 -0.614 0.000 2.422 171 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 171 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 171 G C 1.460 175.954 174.900 -0.677 0.000 1.146 171 G CA 0.726 44.990 45.100 -1.394 0.000 0.769 171 G HN 0.373 nan 8.290 nan 0.000 0.547 172 N N 0.910 119.450 118.700 -0.267 0.000 2.244 172 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 172 N C 2.622 178.106 175.510 -0.043 0.000 1.016 172 N CA 0.929 53.967 53.050 -0.019 0.000 0.866 172 N CB -0.111 38.444 38.487 0.113 0.000 0.980 172 N HN 0.323 nan 8.380 nan 0.000 0.430 173 A N 1.059 123.816 122.820 -0.105 0.000 1.908 173 A HA -0.100 4.219 4.320 -0.000 0.000 0.218 173 A C 2.495 180.016 177.584 -0.105 0.000 1.181 173 A CA 1.181 53.150 52.037 -0.113 0.000 0.627 173 A CB -0.774 18.142 19.000 -0.139 0.000 0.818 173 A HN 0.093 nan 8.150 nan 0.000 0.445 174 V N 0.131 119.967 119.914 -0.130 0.000 2.343 174 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 174 V C 2.411 178.489 176.094 -0.026 0.000 1.051 174 V CA 2.359 64.607 62.300 -0.086 0.000 1.036 174 V CB -0.880 30.883 31.823 -0.101 0.000 0.654 174 V HN 0.654 nan 8.190 nan 0.000 0.451 175 E N -0.548 119.653 120.200 0.002 0.000 2.085 175 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 175 E C 2.389 179.006 176.600 0.028 0.000 0.994 175 E CA 1.184 57.616 56.400 0.053 0.000 0.801 175 E CB -0.169 29.592 29.700 0.101 0.000 0.743 175 E HN 0.553 nan 8.360 nan 0.000 0.453 176 Q N 0.223 120.028 119.800 0.008 0.000 2.124 176 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 176 Q C 2.271 178.258 176.000 -0.021 0.000 0.977 176 Q CA 1.041 56.843 55.803 -0.003 0.000 0.850 176 Q CB -0.234 28.488 28.738 -0.027 0.000 0.901 176 Q HN 0.288 nan 8.270 nan 0.000 0.429 177 I N 1.062 121.609 120.570 -0.038 0.000 2.202 177 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 177 I C 2.376 178.482 176.117 -0.017 0.000 1.091 177 I CA 1.356 62.630 61.300 -0.043 0.000 1.368 177 I CB -0.417 37.547 38.000 -0.060 0.000 1.058 177 I HN 0.204 nan 8.210 nan 0.000 0.410 178 Q N -0.334 119.465 119.800 -0.001 0.000 2.170 178 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 178 Q C 2.056 178.064 176.000 0.014 0.000 0.976 178 Q CA 1.144 56.955 55.803 0.013 0.000 0.858 178 Q CB -0.177 28.579 28.738 0.030 0.000 0.907 178 Q HN 0.462 nan 8.270 nan 0.000 0.433 179 L N -0.695 120.537 121.223 0.014 0.000 2.599 179 L HA 0.095 4.435 4.340 -0.000 0.000 0.230 179 L C 1.172 178.047 176.870 0.008 0.000 1.141 179 L CA 0.366 55.216 54.840 0.015 0.000 0.877 179 L CB -0.112 41.961 42.059 0.022 0.000 1.009 179 L HN 0.392 nan 8.230 nan 0.000 0.447 180 G N 0.158 108.958 108.800 0.000 0.000 2.166 180 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 180 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 180 G C 1.047 175.942 174.900 -0.008 0.000 0.986 180 G CA 0.708 45.806 45.100 -0.004 0.000 0.683 180 G HN 0.413 nan 8.290 nan 0.000 0.527 181 K N -0.897 119.499 120.400 -0.007 0.000 2.305 181 K HA 0.104 4.424 4.320 -0.000 0.000 0.199 181 K C 0.948 177.535 176.600 -0.021 0.000 1.047 181 K CA 0.807 57.091 56.287 -0.005 0.000 0.976 181 K CB 0.074 32.579 32.500 0.008 0.000 0.765 181 K HN 0.421 nan 8.250 nan 0.000 0.474 182 Q N -0.442 119.330 119.800 -0.046 0.000 2.416 182 Q HA 0.133 4.472 4.340 -0.000 0.000 0.281 182 Q C -0.590 175.333 176.000 -0.128 0.000 1.067 182 Q CA -0.366 55.389 55.803 -0.081 0.000 0.809 182 Q CB 1.985 30.669 28.738 -0.089 0.000 1.418 182 Q HN -0.063 nan 8.270 nan 0.000 0.411 183 D N 0.290 120.568 120.400 -0.203 0.000 2.277 183 D HA 0.262 4.901 4.640 -0.000 0.000 0.209 183 D C 0.262 176.333 176.300 -0.382 0.000 0.970 183 D CA 0.866 54.656 54.000 -0.349 0.000 0.874 183 D CB 1.240 41.657 40.800 -0.638 0.000 0.982 183 D HN 0.363 nan 8.370 nan 0.000 0.504 184 I N 0.708 121.078 120.570 -0.333 0.000 2.656 184 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 184 I C -1.198 174.710 176.117 -0.348 0.000 1.144 184 I CA -0.766 60.310 61.300 -0.373 0.000 1.038 184 I CB 3.297 41.039 38.000 -0.430 0.000 1.244 184 I HN -0.414 nan 8.210 nan 0.000 0.420 185 V N 5.859 125.543 119.914 -0.383 0.000 2.525 185 V HA 0.393 4.513 4.120 -0.000 0.000 0.299 185 V C -0.619 175.233 176.094 -0.403 0.000 1.034 185 V CA -0.616 61.501 62.300 -0.306 0.000 0.863 185 V CB 1.677 33.386 31.823 -0.190 0.000 0.999 185 V HN 0.369 nan 8.190 nan 0.000 0.423 186 F N 3.446 123.300 119.950 -0.159 0.000 2.472 186 F HA 0.631 5.158 4.527 -0.000 0.000 0.364 186 F C 0.770 176.474 175.800 -0.159 0.000 1.090 186 F CA 0.108 57.997 58.000 -0.186 0.000 1.188 186 F CB 0.907 39.757 39.000 -0.250 0.000 1.105 186 F HN 0.576 nan 8.300 nan 0.000 0.536 187 A N 2.454 125.270 122.820 -0.008 0.000 2.386 187 A HA 0.941 5.261 4.320 -0.000 0.000 0.311 187 A C 0.001 177.563 177.584 -0.037 0.000 1.068 187 A CA 0.100 52.113 52.037 -0.040 0.000 0.743 187 A CB 1.513 20.461 19.000 -0.087 0.000 1.258 187 A HN 1.053 nan 8.150 nan 0.000 0.429 188 G N -0.341 108.444 108.800 -0.025 0.000 2.512 188 G HA2 0.722 4.682 3.960 -0.000 0.000 0.181 188 G HA3 0.722 4.682 3.960 -0.000 0.000 0.181 188 G C -0.153 174.749 174.900 0.003 0.000 1.173 188 G CA 0.414 45.498 45.100 -0.026 0.000 0.988 188 G HN 2.388 nan 8.290 nan 0.000 0.485 189 G N -2.065 106.743 108.800 0.014 0.000 2.328 189 G HA2 0.792 4.752 3.960 -0.000 0.000 0.295 189 G HA3 0.792 4.752 3.960 -0.000 0.000 0.295 189 G C -0.572 174.366 174.900 0.064 0.000 1.413 189 G CA 0.659 45.785 45.100 0.043 0.000 0.817 189 G HN 2.068 nan 8.290 nan 0.000 0.546 190 G N -1.170 107.684 108.800 0.091 0.000 2.692 190 G HA2 0.690 4.650 3.960 -0.000 0.000 0.291 190 G HA3 0.690 4.650 3.960 -0.000 0.000 0.291 190 G C -1.905 173.078 174.900 0.139 0.000 1.423 190 G CA -0.383 44.802 45.100 0.141 0.000 0.843 190 G HN 0.694 nan 8.290 nan 0.000 0.486 191 E N -0.064 120.252 120.200 0.193 0.000 2.311 191 E HA 0.327 4.677 4.350 -0.000 0.000 0.281 191 E C -0.118 176.614 176.600 0.221 0.000 0.905 191 E CA -0.674 55.817 56.400 0.152 0.000 0.778 191 E CB 1.377 31.131 29.700 0.090 0.000 1.240 191 E HN 0.709 nan 8.360 nan 0.000 0.410 192 E N 3.197 123.485 120.200 0.147 0.000 2.392 192 E HA 0.321 4.671 4.350 -0.000 0.000 0.256 192 E C -0.734 175.931 176.600 0.108 0.000 1.145 192 E CA -0.743 55.736 56.400 0.132 0.000 0.929 192 E CB 1.032 30.757 29.700 0.042 0.000 0.998 192 E HN 0.260 nan 8.360 nan 0.000 0.442 193 L N 2.516 123.779 121.223 0.066 0.000 2.343 193 L HA 0.455 4.795 4.340 -0.000 0.000 0.278 193 L C -1.359 175.541 176.870 0.049 0.000 0.996 193 L CA -0.412 54.424 54.840 -0.006 0.000 0.831 193 L CB 0.925 42.842 42.059 -0.238 0.000 1.232 193 L HN 0.913 nan 8.230 nan 0.000 0.413 194 C N 2.443 121.842 119.300 0.165 0.000 3.181 194 C HA 0.399 4.858 4.460 -0.000 0.000 0.362 194 C C 1.055 176.142 174.990 0.162 0.000 1.125 194 C CA -1.042 58.063 59.018 0.146 0.000 1.265 194 C CB 0.518 28.211 27.740 -0.078 0.000 1.632 194 C HN 1.073 nan 8.230 nan 0.000 0.525 195 W N 1.360 122.776 121.300 0.193 0.000 2.374 195 W HA -0.030 4.630 4.660 -0.000 0.000 0.288 195 W C 0.997 177.578 176.519 0.102 0.000 1.218 195 W CA 1.920 59.338 57.345 0.121 0.000 1.245 195 W CB -0.979 28.511 29.460 0.050 0.000 1.126 195 W HN 0.874 nan 8.180 nan 0.000 0.545 196 E N 0.875 120.471 120.200 -1.005 0.000 2.070 196 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 196 E C 2.358 178.785 176.600 -0.287 0.000 1.004 196 E CA 2.716 58.516 56.400 -0.999 0.000 0.805 196 E CB -0.794 28.372 29.700 -0.890 0.000 0.744 196 E HN 0.365 nan 8.360 nan 0.000 0.451 197 M N -0.269 119.259 119.600 -0.121 0.000 2.160 197 M HA 0.019 4.499 4.480 -0.000 0.000 0.264 197 M C 2.117 178.563 176.300 0.244 0.000 1.073 197 M CA 1.573 56.917 55.300 0.074 0.000 1.142 197 M CB 0.021 32.701 32.600 0.134 0.000 1.358 197 M HN 0.147 nan 8.290 nan 0.000 0.422 198 A N 0.288 123.264 122.820 0.261 0.000 1.940 198 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 198 A C 2.370 180.130 177.584 0.294 0.000 1.176 198 A CA 1.800 54.036 52.037 0.331 0.000 0.631 198 A CB -1.800 17.369 19.000 0.281 0.000 0.814 198 A HN 0.890 nan 8.150 nan 0.000 0.446 199 C N -0.443 119.007 119.300 0.250 0.000 2.419 199 C HA -0.060 4.399 4.460 -0.000 0.000 0.281 199 C C 2.137 177.199 174.990 0.120 0.000 1.336 199 C CA 1.043 60.188 59.018 0.210 0.000 1.770 199 C CB -1.543 26.376 27.740 0.299 0.000 1.929 199 C HN 0.662 nan 8.230 nan 0.000 0.509 200 E N 0.417 120.654 120.200 0.062 0.000 2.106 200 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 200 E C 1.741 178.229 176.600 -0.186 0.000 0.984 200 E CA 1.346 57.683 56.400 -0.105 0.000 0.806 200 E CB -0.309 29.242 29.700 -0.248 0.000 0.750 200 E HN 0.766 nan 8.360 nan 0.000 0.458 201 F N 1.234 121.175 119.950 -0.016 0.000 2.206 201 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 201 F C 2.206 177.966 175.800 -0.066 0.000 1.090 201 F CA 0.953 58.925 58.000 -0.048 0.000 1.323 201 F CB -0.139 38.846 39.000 -0.025 0.000 1.028 201 F HN -0.049 nan 8.300 nan 0.000 0.492 202 D N 0.341 120.823 120.400 0.136 0.000 2.149 202 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 202 D C 2.212 178.535 176.300 0.038 0.000 0.990 202 D CA 1.259 55.295 54.000 0.060 0.000 0.839 202 D CB -0.200 40.641 40.800 0.068 0.000 0.948 202 D HN 0.186 nan 8.370 nan 0.000 0.460 203 A N -0.058 122.780 122.820 0.030 0.000 2.121 203 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 203 A C 2.030 179.613 177.584 -0.002 0.000 1.154 203 A CA 0.963 53.006 52.037 0.011 0.000 0.679 203 A CB -0.503 18.499 19.000 0.002 0.000 0.795 203 A HN 0.358 nan 8.150 nan 0.000 0.458 204 M N -1.559 118.036 119.600 -0.009 0.000 2.428 204 M HA 0.324 4.804 4.480 -0.000 0.000 0.239 204 M C 1.199 177.527 176.300 0.046 0.000 1.121 204 M CA 0.628 55.930 55.300 0.003 0.000 1.019 204 M CB 0.186 32.768 32.600 -0.030 0.000 1.485 204 M HN 0.445 nan 8.290 nan 0.000 0.484 205 G N 0.989 109.815 108.800 0.044 0.000 2.143 205 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 205 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 205 G C 0.864 175.804 174.900 0.066 0.000 0.991 205 G CA 0.337 45.467 45.100 0.049 0.000 0.689 205 G HN 0.621 nan 8.290 nan 0.000 0.522 206 A N -0.864 122.002 122.820 0.078 0.000 2.123 206 A HA 0.615 4.935 4.320 -0.000 0.000 0.214 206 A C 1.273 178.744 177.584 -0.189 0.000 1.152 206 A CA 0.874 52.973 52.037 0.103 0.000 0.728 206 A CB 0.081 19.290 19.000 0.348 0.000 0.814 206 A HN 0.670 nan 8.150 nan 0.000 0.464 207 L N -0.278 120.807 121.223 -0.230 0.000 2.344 207 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 207 L C 0.666 177.473 176.870 -0.104 0.000 1.035 207 L CA -0.619 54.032 54.840 -0.316 0.000 0.807 207 L CB 1.594 43.498 42.059 -0.259 0.000 1.237 207 L HN 0.132 nan 8.230 nan 0.000 0.442 208 S N 0.180 115.847 115.700 -0.055 0.000 2.549 208 S HA 0.099 4.568 4.470 -0.000 0.000 0.286 208 S C 0.802 175.414 174.600 0.020 0.000 1.314 208 S CA 0.253 58.482 58.200 0.050 0.000 1.062 208 S CB 0.362 63.627 63.200 0.108 0.000 0.865 208 S HN 0.841 nan 8.310 nan 0.000 0.498 209 T N 1.439 116.004 114.554 0.019 0.000 3.009 209 T HA 0.336 4.686 4.350 -0.000 0.000 0.267 209 T C 0.925 175.564 174.700 -0.102 0.000 0.942 209 T CA -0.418 61.640 62.100 -0.070 0.000 0.883 209 T CB -0.089 68.730 68.868 -0.081 0.000 1.192 209 T HN 0.577 nan 8.240 nan 0.000 0.524 210 K N 0.068 120.409 120.400 -0.099 0.000 2.393 210 K HA 0.256 4.576 4.320 -0.000 0.000 0.193 210 K C -0.202 176.089 176.600 -0.514 0.000 1.026 210 K CA 0.352 56.430 56.287 -0.348 0.000 1.064 210 K CB 0.202 32.398 32.500 -0.506 0.000 0.833 210 K HN 0.439 nan 8.250 nan 0.000 0.521 211 Y N -0.378 119.915 120.300 -0.012 0.000 2.719 211 Y HA 0.187 4.737 4.550 -0.000 0.000 0.251 211 Y C 0.865 176.782 175.900 0.029 0.000 1.159 211 Y CA -0.632 57.474 58.100 0.010 0.000 1.166 211 Y CB 0.209 38.683 38.460 0.023 0.000 1.219 211 Y HN -0.010 nan 8.280 nan 0.000 0.551 212 N N 0.719 119.483 118.700 0.106 0.000 2.272 212 N HA -0.171 4.569 4.740 -0.000 0.000 0.185 212 N C 0.847 176.464 175.510 0.178 0.000 1.014 212 N CA 1.570 54.713 53.050 0.155 0.000 0.870 212 N CB -0.006 38.541 38.487 0.100 0.000 0.975 212 N HN 0.467 nan 8.380 nan 0.000 0.433 213 D N -0.300 120.157 120.400 0.094 0.000 2.347 213 D HA -0.025 4.615 4.640 -0.000 0.000 0.215 213 D C 0.482 176.821 176.300 0.065 0.000 0.976 213 D CA 0.804 54.831 54.000 0.045 0.000 0.884 213 D CB 0.096 40.900 40.800 0.005 0.000 0.915 213 D HN 0.338 nan 8.370 nan 0.000 0.526 214 T N -2.174 112.451 114.554 0.119 0.000 3.542 214 T HA 0.312 4.662 4.350 -0.000 0.000 0.276 214 T C -2.373 172.409 174.700 0.137 0.000 1.412 214 T CA -1.556 60.614 62.100 0.117 0.000 1.664 214 T CB 1.702 70.645 68.868 0.125 0.000 0.863 214 T HN -0.290 nan 8.240 nan 0.000 0.661 215 P HA -0.122 nan 4.420 nan 0.000 0.217 215 P C 1.334 178.697 177.300 0.105 0.000 1.148 215 P CA 1.181 64.375 63.100 0.156 0.000 0.828 215 P CB 0.148 31.963 31.700 0.192 0.000 0.783 216 E N -0.680 119.568 120.200 0.081 0.000 2.418 216 E HA -0.093 4.257 4.350 -0.000 0.000 0.197 216 E C 1.332 177.936 176.600 0.006 0.000 1.026 216 E CA 0.672 57.099 56.400 0.046 0.000 0.862 216 E CB -0.175 29.549 29.700 0.039 0.000 0.799 216 E HN 0.393 nan 8.360 nan 0.000 0.518 217 K N -0.206 120.191 120.400 -0.005 0.000 2.358 217 K HA 0.203 4.523 4.320 -0.000 0.000 0.197 217 K C 1.710 178.151 176.600 -0.265 0.000 1.025 217 K CA 0.202 56.433 56.287 -0.094 0.000 1.104 217 K CB 0.710 33.182 32.500 -0.046 0.000 0.855 217 K HN -0.030 nan 8.250 nan 0.000 0.531 218 A N 1.163 123.896 122.820 -0.145 0.000 1.898 218 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 218 A C 1.375 178.848 177.584 -0.185 0.000 1.181 218 A CA 1.053 52.984 52.037 -0.176 0.000 0.620 218 A CB -0.078 18.965 19.000 0.071 0.000 0.819 218 A HN 0.148 nan 8.150 nan 0.000 0.442 219 S N 0.618 116.264 115.700 -0.089 0.000 2.416 219 S HA 0.416 4.886 4.470 -0.000 0.000 0.287 219 S C 0.351 174.884 174.600 -0.111 0.000 1.139 219 S CA -0.587 57.576 58.200 -0.062 0.000 1.058 219 S CB -0.156 63.039 63.200 -0.009 0.000 0.967 219 S HN 0.500 nan 8.310 nan 0.000 0.495 220 R N 2.648 123.070 120.500 -0.130 0.000 2.583 220 R HA 0.170 4.510 4.340 -0.000 0.000 0.282 220 R C -0.754 175.467 176.300 -0.131 0.000 1.288 220 R CA -0.632 55.390 56.100 -0.130 0.000 1.415 220 R CB -1.029 29.165 30.300 -0.176 0.000 1.331 220 R HN 0.431 nan 8.270 nan 0.000 0.719 221 T N 2.031 116.459 114.554 -0.210 0.000 2.849 221 T HA -0.085 4.265 4.350 -0.000 0.000 0.289 221 T C -0.034 174.410 174.700 -0.427 0.000 1.010 221 T CA 1.006 62.838 62.100 -0.447 0.000 1.161 221 T CB -0.141 68.332 68.868 -0.658 0.000 0.989 221 T HN 0.521 nan 8.240 nan 0.000 0.523 222 Y N -1.270 119.029 120.300 -0.000 0.000 4.894 222 Y HA -0.218 4.332 4.550 -0.000 0.000 0.270 222 Y C 0.727 176.626 175.900 -0.002 0.000 0.930 222 Y CA 0.436 58.537 58.100 0.001 0.000 1.814 222 Y CB -2.323 36.137 38.460 0.001 0.000 1.235 222 Y HN 0.779 nan 8.280 nan 0.000 0.480 223 D N 0.625 121.079 120.400 0.090 0.000 2.389 223 D HA 0.528 5.168 4.640 -0.000 0.000 0.247 223 D C 1.315 177.631 176.300 0.027 0.000 1.128 223 D CA 0.820 54.860 54.000 0.067 0.000 0.884 223 D CB 1.247 42.075 40.800 0.046 0.000 1.194 223 D HN 0.291 nan 8.370 nan 0.000 0.441 224 A N 3.301 126.099 122.820 -0.036 0.000 2.032 224 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 224 A C 1.136 178.498 177.584 -0.369 0.000 1.165 224 A CA 1.492 53.396 52.037 -0.222 0.000 0.645 224 A CB -0.599 18.191 19.000 -0.350 0.000 0.807 224 A HN 0.800 nan 8.150 nan 0.000 0.453 225 H N -0.717 118.409 119.070 0.094 0.000 2.486 225 H HA 0.194 4.750 4.556 -0.000 0.000 0.284 225 H C 0.552 175.985 175.328 0.176 0.000 1.103 225 H CA -0.279 55.855 56.048 0.143 0.000 1.089 225 H CB 0.046 29.921 29.762 0.189 0.000 1.603 225 H HN 0.601 nan 8.280 nan 0.000 0.557 226 R N 1.586 122.171 120.500 0.142 0.000 2.756 226 R HA -0.005 4.335 4.340 -0.000 0.000 0.264 226 R C -0.417 175.982 176.300 0.165 0.000 1.026 226 R CA 0.616 56.781 56.100 0.108 0.000 1.121 226 R CB 0.457 30.777 30.300 0.033 0.000 0.999 226 R HN 0.288 nan 8.270 nan 0.000 0.449 227 D N 0.270 120.777 120.400 0.180 0.000 2.712 227 D HA 0.212 4.852 4.640 -0.000 0.000 0.300 227 D C 0.066 176.440 176.300 0.123 0.000 1.521 227 D CA 0.126 54.226 54.000 0.167 0.000 0.790 227 D CB 0.360 41.287 40.800 0.211 0.000 1.155 227 D HN 0.918 nan 8.370 nan 0.000 0.456 228 G N 0.536 109.405 108.800 0.116 0.000 2.406 228 G HA2 0.215 4.175 3.960 -0.000 0.000 0.680 228 G HA3 0.215 4.175 3.960 -0.000 0.000 0.680 228 G C -0.558 174.419 174.900 0.127 0.000 1.338 228 G CA -0.674 44.491 45.100 0.109 0.000 0.941 228 G HN 0.329 nan 8.290 nan 0.000 0.633 229 F N -0.462 119.548 119.950 0.100 0.000 2.378 229 F HA 0.789 5.316 4.527 -0.000 0.000 0.319 229 F C 0.283 176.132 175.800 0.081 0.000 1.155 229 F CA -1.371 56.676 58.000 0.078 0.000 1.157 229 F CB 1.189 40.259 39.000 0.117 0.000 1.252 229 F HN 0.399 nan 8.300 nan 0.000 0.550 230 V N 4.571 124.698 119.914 0.355 0.000 2.347 230 V HA 0.258 4.378 4.120 -0.000 0.000 0.280 230 V C 0.285 176.605 176.094 0.376 0.000 1.021 230 V CA -0.846 61.595 62.300 0.235 0.000 0.847 230 V CB 0.962 32.889 31.823 0.173 0.000 0.990 230 V HN 0.864 nan 8.190 nan 0.000 0.444 231 I N 4.558 125.303 120.570 0.293 0.000 2.836 231 I HA 0.521 4.691 4.170 -0.000 0.000 0.285 231 I C 0.491 176.738 176.117 0.218 0.000 1.174 231 I CA 0.515 61.996 61.300 0.302 0.000 1.405 231 I CB 0.950 39.062 38.000 0.185 0.000 1.385 231 I HN 0.788 nan 8.210 nan 0.000 0.594 232 A N 4.509 127.398 122.820 0.115 0.000 2.594 232 A HA 0.850 5.170 4.320 -0.000 0.000 0.291 232 A C -0.702 176.864 177.584 -0.030 0.000 1.105 232 A CA -0.070 51.983 52.037 0.028 0.000 0.694 232 A CB 1.305 20.330 19.000 0.041 0.000 1.291 232 A HN 0.862 nan 8.150 nan 0.000 0.410 233 G N -1.655 107.082 108.800 -0.104 0.000 2.730 233 G HA2 0.958 4.918 3.960 -0.000 0.000 0.289 233 G HA3 0.958 4.918 3.960 -0.000 0.000 0.289 233 G C -0.052 174.715 174.900 -0.221 0.000 1.341 233 G CA -0.229 44.825 45.100 -0.075 0.000 0.932 233 G HN 2.313 nan 8.290 nan 0.000 0.481 234 G N -2.064 106.584 108.800 -0.254 0.000 2.339 234 G HA2 0.626 4.586 3.960 -0.000 0.000 0.275 234 G HA3 0.626 4.586 3.960 -0.000 0.000 0.275 234 G C -0.345 174.495 174.900 -0.100 0.000 1.323 234 G CA 0.249 45.037 45.100 -0.519 0.000 0.927 234 G HN 1.988 nan 8.290 nan 0.000 0.486 235 G N -1.898 106.854 108.800 -0.081 0.000 2.682 235 G HA2 1.007 4.967 3.960 -0.000 0.000 0.290 235 G HA3 1.007 4.967 3.960 -0.000 0.000 0.290 235 G C -0.386 174.506 174.900 -0.014 0.000 1.425 235 G CA 0.370 45.495 45.100 0.042 0.000 0.807 235 G HN 2.103 nan 8.290 nan 0.000 0.482 236 G N -0.770 108.022 108.800 -0.013 0.000 2.673 236 G HA2 0.618 4.578 3.960 -0.000 0.000 0.292 236 G HA3 0.618 4.578 3.960 -0.000 0.000 0.292 236 G C -1.420 173.451 174.900 -0.049 0.000 1.450 236 G CA -0.619 44.448 45.100 -0.054 0.000 0.837 236 G HN 0.565 nan 8.290 nan 0.000 0.505 237 M N 0.782 120.343 119.600 -0.065 0.000 2.371 237 M HA 0.507 4.987 4.480 -0.000 0.000 0.287 237 M C -0.330 175.931 176.300 -0.066 0.000 1.149 237 M CA -0.847 54.418 55.300 -0.058 0.000 0.929 237 M CB 1.462 34.021 32.600 -0.070 0.000 1.683 237 M HN 0.926 nan 8.290 nan 0.000 0.470 238 V N 0.429 120.305 119.914 -0.063 0.000 2.864 238 V HA 0.868 4.988 4.120 -0.000 0.000 0.314 238 V C -0.577 175.471 176.094 -0.076 0.000 1.073 238 V CA -0.877 61.375 62.300 -0.081 0.000 0.956 238 V CB 2.010 33.761 31.823 -0.121 0.000 1.023 238 V HN 0.540 nan 8.190 nan 0.000 0.435 239 V N 3.522 123.375 119.914 -0.101 0.000 2.334 239 V HA 0.357 4.477 4.120 -0.000 0.000 0.267 239 V C 0.145 176.111 176.094 -0.213 0.000 1.040 239 V CA -0.362 61.791 62.300 -0.245 0.000 0.866 239 V CB 1.009 32.700 31.823 -0.219 0.000 1.019 239 V HN 0.728 nan 8.190 nan 0.000 0.468 240 V N 5.062 124.821 119.914 -0.257 0.000 2.432 240 V HA 0.464 4.584 4.120 -0.000 0.000 0.275 240 V C 0.080 176.047 176.094 -0.212 0.000 1.043 240 V CA -0.261 61.925 62.300 -0.190 0.000 0.925 240 V CB 1.334 33.053 31.823 -0.174 0.000 0.985 240 V HN 0.973 nan 8.190 nan 0.000 0.466 241 E N 2.783 122.896 120.200 -0.145 0.000 2.314 241 E HA 0.321 4.671 4.350 -0.000 0.000 0.272 241 E C -0.783 175.771 176.600 -0.077 0.000 0.884 241 E CA -0.717 55.605 56.400 -0.131 0.000 0.753 241 E CB 1.810 31.462 29.700 -0.081 0.000 1.213 241 E HN 0.709 nan 8.360 nan 0.000 0.432 242 E N 3.721 123.874 120.200 -0.077 0.000 2.384 242 E HA -0.033 4.317 4.350 -0.000 0.000 0.266 242 E C 0.733 177.344 176.600 0.018 0.000 1.012 242 E CA -0.084 56.298 56.400 -0.030 0.000 0.901 242 E CB 1.122 30.802 29.700 -0.033 0.000 0.967 242 E HN 0.628 nan 8.360 nan 0.000 0.435 243 L N 5.454 126.682 121.223 0.007 0.000 2.012 243 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 243 L C 1.921 178.804 176.870 0.021 0.000 1.073 243 L CA 1.891 56.735 54.840 0.007 0.000 0.748 243 L CB -0.339 41.718 42.059 -0.003 0.000 0.891 243 L HN 0.550 nan 8.230 nan 0.000 0.431 244 E N -1.093 119.125 120.200 0.031 0.000 2.110 244 E HA -0.261 4.088 4.350 -0.000 0.000 0.193 244 E C 2.163 178.787 176.600 0.040 0.000 0.988 244 E CA 1.281 57.697 56.400 0.027 0.000 0.804 244 E CB -0.636 29.080 29.700 0.027 0.000 0.745 244 E HN 0.687 nan 8.360 nan 0.000 0.458 245 H N 0.678 119.733 119.070 -0.025 0.000 2.357 245 H HA -0.002 4.554 4.556 -0.000 0.000 0.301 245 H C 1.878 177.190 175.328 -0.026 0.000 1.082 245 H CA 1.627 57.660 56.048 -0.024 0.000 1.342 245 H CB 0.225 29.969 29.762 -0.030 0.000 1.389 245 H HN 0.120 nan 8.280 nan 0.000 0.511 246 A N 1.190 124.059 122.820 0.081 0.000 1.877 246 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 246 A C 2.847 180.412 177.584 -0.032 0.000 1.186 246 A CA 1.300 53.350 52.037 0.022 0.000 0.620 246 A CB -0.879 18.129 19.000 0.013 0.000 0.822 246 A HN 0.413 nan 8.150 nan 0.000 0.443 247 L N -0.864 120.342 121.223 -0.029 0.000 2.093 247 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 247 L C 3.048 179.888 176.870 -0.051 0.000 1.085 247 L CA 0.890 55.708 54.840 -0.037 0.000 0.755 247 L CB -0.487 41.555 42.059 -0.027 0.000 0.904 247 L HN 0.436 nan 8.230 nan 0.000 0.435 248 A N 1.078 123.855 122.820 -0.072 0.000 1.972 248 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 248 A C 2.261 179.786 177.584 -0.098 0.000 1.169 248 A CA 1.666 53.651 52.037 -0.086 0.000 0.635 248 A CB -0.468 18.465 19.000 -0.111 0.000 0.810 248 A HN 0.569 nan 8.150 nan 0.000 0.446 249 R N -1.553 118.873 120.500 -0.124 0.000 2.334 249 R HA 0.355 4.695 4.340 -0.000 0.000 0.216 249 R C 0.993 177.262 176.300 -0.052 0.000 0.905 249 R CA 0.720 56.760 56.100 -0.100 0.000 1.064 249 R CB -0.431 29.788 30.300 -0.137 0.000 1.046 249 R HN 0.765 nan 8.270 nan 0.000 0.508 250 G N 0.591 109.365 108.800 -0.044 0.000 2.137 250 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.237 250 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.237 250 G C 0.282 175.175 174.900 -0.011 0.000 1.002 250 G CA -0.028 45.057 45.100 -0.025 0.000 0.702 250 G HN 0.687 nan 8.290 nan 0.000 0.515 251 A N 0.351 123.163 122.820 -0.015 0.000 2.483 251 A HA 0.473 4.792 4.320 -0.000 0.000 0.238 251 A C 0.692 178.278 177.584 0.004 0.000 1.070 251 A CA 0.393 52.432 52.037 0.004 0.000 0.770 251 A CB 0.116 19.114 19.000 -0.003 0.000 1.008 251 A HN 1.040 nan 8.150 nan 0.000 0.497 252 H N 2.198 121.217 119.070 -0.086 0.000 2.690 252 H HA 0.389 4.945 4.556 -0.000 0.000 0.314 252 H C -0.938 174.280 175.328 -0.183 0.000 1.069 252 H CA -0.038 55.915 56.048 -0.158 0.000 1.436 252 H CB 0.320 29.952 29.762 -0.217 0.000 1.462 252 H HN 0.486 nan 8.280 nan 0.000 0.511 253 I N 6.698 126.872 120.570 -0.660 0.000 2.339 253 I HA -0.007 4.163 4.170 -0.000 0.000 0.290 253 I C 0.144 175.859 176.117 -0.671 0.000 0.994 253 I CA -0.605 60.406 61.300 -0.482 0.000 1.191 253 I CB 1.141 39.008 38.000 -0.223 0.000 1.343 253 I HN 0.666 nan 8.210 nan 0.000 0.458 254 Y N 5.030 125.095 120.300 -0.391 0.000 2.153 254 Y HA 0.227 4.777 4.550 -0.000 0.000 0.289 254 Y C 1.260 177.073 175.900 -0.145 0.000 1.127 254 Y CA 0.974 58.935 58.100 -0.231 0.000 1.131 254 Y CB 0.102 38.510 38.460 -0.088 0.000 0.995 254 Y HN 0.655 nan 8.280 nan 0.000 0.505 255 A N -0.726 122.127 122.820 0.056 0.000 2.586 255 A HA 0.398 4.718 4.320 -0.000 0.000 0.291 255 A C -1.448 176.135 177.584 -0.001 0.000 1.062 255 A CA -0.832 51.215 52.037 0.017 0.000 0.666 255 A CB 0.796 19.817 19.000 0.034 0.000 1.281 255 A HN 0.104 nan 8.150 nan 0.000 0.421 256 E N 0.841 121.037 120.200 -0.007 0.000 2.266 256 E HA 0.469 4.819 4.350 -0.000 0.000 0.277 256 E C -0.776 175.823 176.600 -0.002 0.000 1.018 256 E CA -0.685 55.710 56.400 -0.009 0.000 0.840 256 E CB 0.595 30.291 29.700 -0.007 0.000 1.082 256 E HN 0.453 nan 8.360 nan 0.000 0.395 257 I N 6.521 127.086 120.570 -0.007 0.000 2.329 257 I HA -0.018 4.152 4.170 -0.000 0.000 0.295 257 I C 1.087 177.218 176.117 0.023 0.000 1.109 257 I CA 0.153 61.454 61.300 0.002 0.000 1.297 257 I CB 0.406 38.394 38.000 -0.020 0.000 1.433 257 I HN 0.487 nan 8.210 nan 0.000 0.509 258 V N 3.446 123.379 119.914 0.033 0.000 3.650 258 V HA 0.578 4.698 4.120 -0.000 0.000 0.271 258 V C 0.715 176.847 176.094 0.063 0.000 1.281 258 V CA 0.306 62.631 62.300 0.041 0.000 1.120 258 V CB 0.147 31.989 31.823 0.031 0.000 0.856 258 V HN 0.701 nan 8.190 nan 0.000 0.443 259 G N -0.570 108.279 108.800 0.082 0.000 2.742 259 G HA2 0.531 4.491 3.960 -0.000 0.000 0.296 259 G HA3 0.531 4.491 3.960 -0.000 0.000 0.296 259 G C -2.347 172.660 174.900 0.178 0.000 1.436 259 G CA -0.570 44.598 45.100 0.112 0.000 0.928 259 G HN 0.349 nan 8.290 nan 0.000 0.520 260 Y N 1.188 121.504 120.300 0.027 0.000 2.307 260 Y HA 0.667 5.217 4.550 -0.000 0.000 0.323 260 Y C -0.083 175.838 175.900 0.035 0.000 1.100 260 Y CA -1.212 56.903 58.100 0.024 0.000 1.140 260 Y CB 1.593 40.068 38.460 0.025 0.000 1.159 260 Y HN 0.843 nan 8.280 nan 0.000 0.436 261 G N 3.168 111.880 108.800 -0.147 0.000 2.388 261 G HA2 0.735 4.695 3.960 -0.000 0.000 0.330 261 G HA3 0.735 4.695 3.960 -0.000 0.000 0.330 261 G C -1.544 173.151 174.900 -0.342 0.000 1.142 261 G CA -0.512 44.436 45.100 -0.254 0.000 0.908 261 G HN 1.139 nan 8.290 nan 0.000 0.473 262 A N 1.576 124.210 122.820 -0.311 0.000 2.442 262 A HA 0.863 5.183 4.320 -0.000 0.000 0.284 262 A C -0.009 177.558 177.584 -0.029 0.000 1.058 262 A CA -0.042 51.961 52.037 -0.058 0.000 0.738 262 A CB 1.363 20.343 19.000 -0.034 0.000 1.242 262 A HN 1.559 nan 8.150 nan 0.000 0.421 263 T N -1.458 113.119 114.554 0.039 0.000 2.696 263 T HA 0.874 5.224 4.350 -0.000 0.000 0.291 263 T C -0.293 174.417 174.700 0.017 0.000 1.095 263 T CA -0.340 61.757 62.100 -0.005 0.000 1.026 263 T CB 1.619 70.465 68.868 -0.038 0.000 1.390 263 T HN 1.591 nan 8.240 nan 0.000 0.513 264 S N -1.143 114.549 115.700 -0.014 0.000 2.540 264 S HA 0.476 4.946 4.470 -0.000 0.000 0.275 264 S C -0.413 174.169 174.600 -0.031 0.000 1.123 264 S CA -0.585 57.609 58.200 -0.009 0.000 0.907 264 S CB 1.714 64.909 63.200 -0.008 0.000 1.081 264 S HN 0.685 nan 8.310 nan 0.000 0.476 265 D N 2.573 122.954 120.400 -0.030 0.000 2.137 265 D HA 0.169 4.809 4.640 -0.000 0.000 0.202 265 D C 1.469 177.754 176.300 -0.025 0.000 0.970 265 D CA 1.503 55.477 54.000 -0.042 0.000 0.837 265 D CB -0.505 40.270 40.800 -0.042 0.000 0.981 265 D HN 1.084 nan 8.370 nan 0.000 0.475 266 G N 0.165 108.959 108.800 -0.010 0.000 2.305 266 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.287 266 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.287 266 G C 0.629 175.528 174.900 -0.002 0.000 1.036 266 G CA 0.916 46.013 45.100 -0.005 0.000 0.887 266 G HN 0.629 nan 8.290 nan 0.000 0.505 267 A N -1.104 121.718 122.820 0.003 0.000 1.742 267 A HA 0.644 4.963 4.320 -0.000 0.000 0.167 267 A C 0.145 177.741 177.584 0.020 0.000 1.913 267 A CA 0.801 52.842 52.037 0.006 0.000 1.331 267 A CB 0.568 19.566 19.000 -0.004 0.000 0.968 267 A HN 0.272 nan 8.150 nan 0.000 0.739 268 D N -0.077 120.341 120.400 0.030 0.000 2.248 268 D HA 0.456 5.096 4.640 -0.000 0.000 0.246 268 D C 0.770 177.115 176.300 0.075 0.000 1.027 268 D CA -0.600 53.431 54.000 0.050 0.000 0.853 268 D CB 1.415 42.249 40.800 0.057 0.000 1.243 268 D HN 0.063 nan 8.370 nan 0.000 0.462 269 M N 0.908 120.560 119.600 0.086 0.000 2.159 269 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 269 M C 1.518 177.935 176.300 0.196 0.000 1.063 269 M CA 1.404 56.773 55.300 0.115 0.000 1.110 269 M CB -0.214 32.438 32.600 0.087 0.000 1.374 269 M HN 0.437 nan 8.290 nan 0.000 0.411 270 V N -4.714 115.327 119.914 0.212 0.000 3.382 270 V HA 0.620 4.740 4.120 -0.000 0.000 0.296 270 V C 0.406 176.697 176.094 0.328 0.000 1.529 270 V CA -0.037 62.477 62.300 0.357 0.000 1.048 270 V CB -0.454 31.526 31.823 0.261 0.000 0.878 270 V HN 0.137 nan 8.190 nan 0.000 0.442 271 A N 1.900 124.835 122.820 0.193 0.000 2.401 271 A HA 0.972 5.292 4.320 -0.000 0.000 0.310 271 A C -3.061 174.567 177.584 0.075 0.000 1.075 271 A CA -1.874 50.246 52.037 0.138 0.000 0.746 271 A CB 1.548 20.616 19.000 0.114 0.000 1.277 271 A HN 0.202 nan 8.150 nan 0.000 0.425 272 P HA 0.207 nan 4.420 nan 0.000 0.281 272 P C 0.556 177.836 177.300 -0.034 0.000 1.249 272 P CA -0.173 62.911 63.100 -0.026 0.000 0.810 272 P CB 1.628 33.294 31.700 -0.058 0.000 1.008 273 S N 0.553 116.212 115.700 -0.068 0.000 2.478 273 S HA 0.170 4.640 4.470 -0.000 0.000 0.222 273 S C 1.653 176.205 174.600 -0.079 0.000 1.008 273 S CA 0.842 59.007 58.200 -0.058 0.000 0.928 273 S CB -1.056 62.110 63.200 -0.057 0.000 0.781 273 S HN 0.745 nan 8.310 nan 0.000 0.518 274 G N 2.006 110.724 108.800 -0.137 0.000 2.550 274 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.233 274 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.233 274 G C 0.945 175.749 174.900 -0.159 0.000 1.170 274 G CA 0.589 45.598 45.100 -0.152 0.000 0.693 274 G HN 0.476 nan 8.290 nan 0.000 0.512 275 E N 1.782 121.913 120.200 -0.116 0.000 2.085 275 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 275 E C 2.631 179.154 176.600 -0.129 0.000 0.994 275 E CA 2.325 58.664 56.400 -0.102 0.000 0.801 275 E CB -0.965 28.692 29.700 -0.072 0.000 0.743 275 E HN 0.659 nan 8.360 nan 0.000 0.453 276 G N 0.691 109.398 108.800 -0.154 0.000 2.402 276 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 276 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 276 G C 1.744 176.499 174.900 -0.241 0.000 1.162 276 G CA 1.287 46.287 45.100 -0.165 0.000 0.777 276 G HN 0.428 nan 8.290 nan 0.000 0.539 277 A N 0.178 122.746 122.820 -0.420 0.000 1.933 277 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 277 A C 2.599 180.035 177.584 -0.247 0.000 1.175 277 A CA 1.771 53.431 52.037 -0.629 0.000 0.628 277 A CB -0.590 17.760 19.000 -1.082 0.000 0.814 277 A HN 0.247 nan 8.150 nan 0.000 0.444 278 V N 0.058 119.864 119.914 -0.181 0.000 2.295 278 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 278 V C 2.632 178.668 176.094 -0.096 0.000 1.049 278 V CA 2.295 64.528 62.300 -0.111 0.000 1.024 278 V CB -0.806 30.959 31.823 -0.097 0.000 0.648 278 V HN 0.533 nan 8.190 nan 0.000 0.447 279 R N -1.070 119.372 120.500 -0.097 0.000 2.120 279 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 279 R C 2.391 178.652 176.300 -0.065 0.000 1.123 279 R CA 1.641 57.694 56.100 -0.079 0.000 0.975 279 R CB -0.839 29.415 30.300 -0.077 0.000 0.866 279 R HN 0.579 nan 8.270 nan 0.000 0.446 280 C N 0.687 119.955 119.300 -0.054 0.000 2.453 280 C HA -0.032 4.428 4.460 -0.000 0.000 0.277 280 C C 2.600 177.604 174.990 0.023 0.000 1.262 280 C CA 0.725 59.742 59.018 -0.002 0.000 1.718 280 C CB -0.641 27.142 27.740 0.071 0.000 2.031 280 C HN 0.454 nan 8.230 nan 0.000 0.480 281 M N 0.192 119.816 119.600 0.041 0.000 2.117 281 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 281 M C 2.288 178.563 176.300 -0.043 0.000 1.065 281 M CA 1.785 57.103 55.300 0.032 0.000 1.114 281 M CB -0.468 32.153 32.600 0.035 0.000 1.361 281 M HN 0.393 nan 8.290 nan 0.000 0.408 282 K N 0.004 120.359 120.400 -0.075 0.000 2.057 282 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 282 K C 1.999 178.584 176.600 -0.026 0.000 1.050 282 K CA 1.304 57.544 56.287 -0.079 0.000 0.935 282 K CB -0.212 32.240 32.500 -0.080 0.000 0.715 282 K HN 0.342 nan 8.250 nan 0.000 0.439 283 M N 0.614 120.194 119.600 -0.033 0.000 2.108 283 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 283 M C 2.048 178.350 176.300 0.003 0.000 1.066 283 M CA 1.785 57.064 55.300 -0.035 0.000 1.107 283 M CB -0.105 32.444 32.600 -0.084 0.000 1.356 283 M HN 0.163 nan 8.290 nan 0.000 0.406 284 A N -0.140 122.685 122.820 0.008 0.000 2.067 284 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 284 A C 1.800 179.420 177.584 0.059 0.000 1.158 284 A CA 1.276 53.340 52.037 0.045 0.000 0.661 284 A CB -0.584 18.453 19.000 0.063 0.000 0.801 284 A HN 0.656 nan 8.150 nan 0.000 0.452 285 M N -1.228 118.396 119.600 0.041 0.000 2.428 285 M HA 0.111 4.591 4.480 -0.000 0.000 0.239 285 M C 0.340 176.664 176.300 0.040 0.000 1.121 285 M CA -0.185 55.134 55.300 0.031 0.000 1.019 285 M CB 0.021 32.609 32.600 -0.020 0.000 1.485 285 M HN 0.456 nan 8.290 nan 0.000 0.484 286 H N 0.538 119.596 119.070 -0.020 0.000 3.046 286 H HA 0.214 4.770 4.556 -0.000 0.000 0.303 286 H C 1.224 176.549 175.328 -0.005 0.000 1.002 286 H CA 1.653 57.690 56.048 -0.018 0.000 1.460 286 H CB 0.291 30.041 29.762 -0.021 0.000 1.493 286 H HN 0.495 nan 8.280 nan 0.000 0.559 287 G N 3.336 111.903 108.800 -0.387 0.000 2.189 287 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 287 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 287 G C -0.078 174.771 174.900 -0.085 0.000 0.975 287 G CA 0.402 45.367 45.100 -0.224 0.000 0.644 287 G HN 0.641 nan 8.290 nan 0.000 0.537 288 V N 1.547 121.430 119.914 -0.052 0.000 2.320 288 V HA 0.346 4.466 4.120 -0.000 0.000 0.265 288 V C 0.353 176.440 176.094 -0.012 0.000 1.048 288 V CA -0.058 62.235 62.300 -0.011 0.000 0.865 288 V CB 1.403 33.239 31.823 0.022 0.000 1.043 288 V HN 0.250 nan 8.190 nan 0.000 0.474 289 D N 2.103 122.496 120.400 -0.012 0.000 2.395 289 D HA 0.071 4.711 4.640 -0.000 0.000 0.213 289 D C 1.093 177.398 176.300 0.008 0.000 1.110 289 D CA 0.229 54.224 54.000 -0.009 0.000 0.835 289 D CB 0.897 41.684 40.800 -0.023 0.000 0.965 289 D HN 0.661 nan 8.370 nan 0.000 0.505 290 T N 0.150 114.714 114.554 0.017 0.000 2.913 290 T HA 0.439 4.789 4.350 -0.000 0.000 0.287 290 T C -2.334 172.392 174.700 0.043 0.000 1.008 290 T CA -1.527 60.587 62.100 0.024 0.000 1.067 290 T CB 1.929 70.810 68.868 0.021 0.000 0.996 290 T HN -0.170 nan 8.240 nan 0.000 0.513 291 P HA 0.278 nan 4.420 nan 0.000 0.274 291 P C -0.380 176.951 177.300 0.052 0.000 1.231 291 P CA -0.710 62.425 63.100 0.059 0.000 0.790 291 P CB 0.506 32.227 31.700 0.035 0.000 0.951 292 I N 3.158 123.767 120.570 0.065 0.000 2.436 292 I HA -0.005 4.165 4.170 -0.000 0.000 0.289 292 I C 1.317 177.397 176.117 -0.062 0.000 1.083 292 I CA 0.458 61.759 61.300 0.001 0.000 1.372 292 I CB -0.242 37.741 38.000 -0.028 0.000 1.408 292 I HN 0.322 nan 8.210 nan 0.000 0.516 293 D N 5.247 125.641 120.400 -0.010 0.000 2.249 293 D HA -0.069 4.571 4.640 -0.000 0.000 0.205 293 D C 0.023 176.359 176.300 0.059 0.000 0.962 293 D CA 1.199 55.205 54.000 0.010 0.000 0.860 293 D CB 0.426 41.245 40.800 0.030 0.000 0.955 293 D HN 0.542 nan 8.370 nan 0.000 0.505 294 Y N 0.157 120.397 120.300 -0.100 0.000 2.480 294 Y HA 0.423 4.973 4.550 -0.000 0.000 0.329 294 Y C -2.196 173.646 175.900 -0.098 0.000 1.127 294 Y CA -1.094 56.943 58.100 -0.105 0.000 1.037 294 Y CB 1.134 39.534 38.460 -0.099 0.000 1.320 294 Y HN -0.229 nan 8.280 nan 0.000 0.446 295 L N 7.168 127.789 121.223 -1.003 0.000 2.343 295 L HA 0.496 4.836 4.340 -0.000 0.000 0.278 295 L C -1.069 175.167 176.870 -1.057 0.000 0.996 295 L CA -0.510 53.852 54.840 -0.797 0.000 0.831 295 L CB 0.879 42.689 42.059 -0.415 0.000 1.232 295 L HN 0.815 nan 8.230 nan 0.000 0.413 296 N N 3.572 121.803 118.700 -0.783 0.000 2.415 296 N HA 0.116 4.856 4.740 -0.000 0.000 0.246 296 N C -0.410 174.989 175.510 -0.185 0.000 1.078 296 N CA -0.218 52.633 53.050 -0.331 0.000 0.942 296 N CB 0.948 39.423 38.487 -0.021 0.000 1.140 296 N HN 0.716 nan 8.380 nan 0.000 0.501 297 S N 2.630 118.264 115.700 -0.109 0.000 2.603 297 S HA 0.010 4.480 4.470 -0.000 0.000 0.268 297 S C 1.297 175.842 174.600 -0.091 0.000 1.317 297 S CA -0.357 57.813 58.200 -0.050 0.000 1.012 297 S CB 1.304 64.566 63.200 0.102 0.000 0.926 297 S HN 0.757 nan 8.310 nan 0.000 0.539 298 H N 2.309 121.237 119.070 -0.237 0.000 2.353 298 H HA 0.108 4.664 4.556 -0.000 0.000 0.300 298 H C 1.503 176.687 175.328 -0.240 0.000 1.090 298 H CA 1.393 57.256 56.048 -0.308 0.000 1.327 298 H CB -1.084 28.432 29.762 -0.410 0.000 1.383 298 H HN 1.063 nan 8.280 nan 0.000 0.508 299 G N 0.800 109.459 108.800 -0.234 0.000 2.167 299 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.233 299 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.233 299 G C 0.985 175.612 174.900 -0.455 0.000 0.493 299 G CA 0.985 45.895 45.100 -0.317 0.000 1.034 299 G HN 0.811 nan 8.290 nan 0.000 0.410 300 T N -1.407 112.859 114.554 -0.480 0.000 3.100 300 T HA 0.380 4.730 4.350 -0.000 0.000 0.253 300 T C 1.346 175.972 174.700 -0.124 0.000 1.118 300 T CA 1.018 62.880 62.100 -0.396 0.000 1.058 300 T CB 0.297 68.905 68.868 -0.434 0.000 0.953 300 T HN 1.753 nan 8.240 nan 0.000 0.515 301 S N 0.828 116.441 115.700 -0.145 0.000 3.672 301 S HA -0.131 4.339 4.470 -0.000 0.000 0.294 301 S C 0.223 174.846 174.600 0.037 0.000 1.200 301 S CA 0.587 58.744 58.200 -0.072 0.000 0.837 301 S CB -2.151 61.022 63.200 -0.045 0.000 0.972 301 S HN 1.233 nan 8.310 nan 0.000 0.583 302 T N -0.937 113.654 114.554 0.061 0.000 2.867 302 T HA 0.667 5.017 4.350 -0.000 0.000 0.282 302 T C -1.433 173.322 174.700 0.092 0.000 1.000 302 T CA -1.654 60.519 62.100 0.121 0.000 1.042 302 T CB 1.655 70.636 68.868 0.189 0.000 0.973 302 T HN -0.058 nan 8.240 nan 0.000 0.465 303 P HA -0.122 nan 4.420 nan 0.000 0.214 303 P C 1.646 178.999 177.300 0.088 0.000 1.163 303 P CA 0.623 63.774 63.100 0.084 0.000 0.889 303 P CB -0.000 31.748 31.700 0.081 0.000 0.790 304 V N -0.451 119.522 119.914 0.099 0.000 2.302 304 V HA -0.080 4.040 4.120 -0.000 0.000 0.243 304 V C 2.596 178.751 176.094 0.103 0.000 1.036 304 V CA 2.419 64.775 62.300 0.094 0.000 1.020 304 V CB -1.836 30.045 31.823 0.096 0.000 0.657 304 V HN 0.158 nan 8.190 nan 0.000 0.453 305 G N -0.148 108.725 108.800 0.121 0.000 2.446 305 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 305 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 305 G C 1.200 176.190 174.900 0.150 0.000 1.168 305 G CA 1.219 46.402 45.100 0.139 0.000 0.771 305 G HN 0.498 nan 8.290 nan 0.000 0.551 306 D N 0.096 120.568 120.400 0.121 0.000 2.104 306 D HA -0.132 4.507 4.640 -0.000 0.000 0.194 306 D C 2.871 179.320 176.300 0.248 0.000 0.994 306 D CA 1.784 55.877 54.000 0.155 0.000 0.830 306 D CB -0.459 40.389 40.800 0.080 0.000 0.959 306 D HN 0.388 nan 8.370 nan 0.000 0.452 307 V N -1.913 118.106 119.914 0.175 0.000 3.052 307 V HA 0.070 4.190 4.120 -0.000 0.000 0.254 307 V C 1.921 178.077 176.094 0.103 0.000 1.100 307 V CA 0.615 62.999 62.300 0.140 0.000 1.112 307 V CB -0.200 31.683 31.823 0.100 0.000 0.738 307 V HN -0.070 nan 8.190 nan 0.000 0.469 308 K N 1.032 121.491 120.400 0.098 0.000 2.057 308 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 308 K C 2.183 178.823 176.600 0.066 0.000 1.049 308 K CA 1.960 58.283 56.287 0.060 0.000 0.931 308 K CB -0.162 32.363 32.500 0.043 0.000 0.714 308 K HN 0.745 nan 8.250 nan 0.000 0.440 309 E N 1.058 121.341 120.200 0.138 0.000 2.072 309 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 309 E C 2.135 178.834 176.600 0.165 0.000 0.985 309 E CA 0.551 57.070 56.400 0.198 0.000 0.801 309 E CB 0.036 29.952 29.700 0.358 0.000 0.750 309 E HN 0.169 nan 8.360 nan 0.000 0.452 310 L N 0.509 121.819 121.223 0.145 0.000 2.042 310 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 310 L C 2.722 179.624 176.870 0.054 0.000 1.076 310 L CA 1.102 55.983 54.840 0.070 0.000 0.749 310 L CB -0.575 41.491 42.059 0.012 0.000 0.893 310 L HN 0.240 nan 8.230 nan 0.000 0.432 311 A N 0.095 122.945 122.820 0.049 0.000 1.902 311 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 311 A C 2.535 180.135 177.584 0.027 0.000 1.181 311 A CA 1.777 53.832 52.037 0.029 0.000 0.623 311 A CB -0.651 18.360 19.000 0.019 0.000 0.818 311 A HN 0.412 nan 8.150 nan 0.000 0.443 312 A N -0.193 122.644 122.820 0.028 0.000 1.933 312 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 312 A C 2.109 179.731 177.584 0.063 0.000 1.175 312 A CA 1.450 53.494 52.037 0.011 0.000 0.628 312 A CB -0.578 18.399 19.000 -0.038 0.000 0.814 312 A HN 0.502 nan 8.150 nan 0.000 0.444 313 I N -0.864 119.784 120.570 0.130 0.000 2.179 313 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 313 I C 2.772 179.030 176.117 0.234 0.000 1.088 313 I CA 1.373 62.816 61.300 0.238 0.000 1.357 313 I CB -0.340 37.776 38.000 0.194 0.000 1.051 313 I HN 0.295 nan 8.210 nan 0.000 0.409 314 R N 0.350 120.922 120.500 0.120 0.000 2.091 314 R HA -0.242 4.098 4.340 -0.000 0.000 0.238 314 R C 2.257 178.597 176.300 0.067 0.000 1.136 314 R CA 1.748 57.902 56.100 0.090 0.000 0.959 314 R CB -0.351 29.975 30.300 0.043 0.000 0.856 314 R HN 0.265 nan 8.270 nan 0.000 0.437 315 E N 0.529 120.747 120.200 0.030 0.000 2.077 315 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 315 E C 1.844 178.411 176.600 -0.054 0.000 0.989 315 E CA 1.270 57.663 56.400 -0.011 0.000 0.800 315 E CB -0.030 29.654 29.700 -0.027 0.000 0.746 315 E HN 0.061 nan 8.360 nan 0.000 0.452 316 V N -0.277 119.575 119.914 -0.104 0.000 2.358 316 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 316 V C 1.746 177.598 176.094 -0.402 0.000 1.047 316 V CA 1.819 63.923 62.300 -0.326 0.000 1.035 316 V CB -0.454 31.041 31.823 -0.546 0.000 0.658 316 V HN 0.256 nan 8.190 nan 0.000 0.452 317 F N -0.542 119.403 119.950 -0.007 0.000 2.678 317 F HA 0.503 5.030 4.527 -0.000 0.000 0.291 317 F C 1.860 177.654 175.800 -0.010 0.000 1.123 317 F CA 0.545 58.540 58.000 -0.009 0.000 1.395 317 F CB -0.477 38.516 39.000 -0.013 0.000 1.121 317 F HN 0.254 nan 8.300 nan 0.000 0.592 318 G N 0.900 109.784 108.800 0.141 0.000 2.622 318 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.307 318 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.307 318 G C 0.544 175.492 174.900 0.079 0.000 1.226 318 G CA 0.645 45.792 45.100 0.077 0.000 0.997 318 G HN 0.257 nan 8.290 nan 0.000 0.551 319 D N 2.289 122.722 120.400 0.055 0.000 2.323 319 D HA 0.099 4.739 4.640 -0.000 0.000 0.239 319 D C 1.215 177.540 176.300 0.042 0.000 1.129 319 D CA 1.133 55.156 54.000 0.039 0.000 0.865 319 D CB 0.045 40.860 40.800 0.024 0.000 0.913 319 D HN 0.562 nan 8.370 nan 0.000 0.517 320 K N 0.177 120.621 120.400 0.073 0.000 3.271 320 K HA 0.125 4.445 4.320 -0.000 0.000 0.192 320 K C -0.122 176.506 176.600 0.047 0.000 1.108 320 K CA -0.526 55.797 56.287 0.060 0.000 0.902 320 K CB -0.162 32.383 32.500 0.076 0.000 0.889 320 K HN -0.164 nan 8.250 nan 0.000 0.520 321 S N 1.450 117.151 115.700 0.001 0.000 2.576 321 S HA 0.441 4.911 4.470 -0.000 0.000 0.276 321 S C -1.749 172.688 174.600 -0.271 0.000 1.339 321 S CA -0.718 57.394 58.200 -0.148 0.000 1.039 321 S CB 0.390 63.548 63.200 -0.069 0.000 0.902 321 S HN 0.349 nan 8.310 nan 0.000 0.516 322 P HA 0.397 nan 4.420 nan 0.000 0.279 322 P C -0.577 176.595 177.300 -0.215 0.000 1.276 322 P CA -0.713 62.172 63.100 -0.357 0.000 0.801 322 P CB 0.417 31.805 31.700 -0.521 0.000 1.127 323 A N 1.041 123.796 122.820 -0.109 0.000 2.546 323 A HA 0.299 4.619 4.320 -0.000 0.000 0.243 323 A C 0.268 177.827 177.584 -0.042 0.000 1.063 323 A CA 0.281 52.307 52.037 -0.019 0.000 0.757 323 A CB -1.025 18.025 19.000 0.084 0.000 0.991 323 A HN 0.436 nan 8.150 nan 0.000 0.503 324 I N 2.068 122.620 120.570 -0.030 0.000 2.545 324 I HA 0.507 4.677 4.170 -0.000 0.000 0.292 324 I C 0.221 176.396 176.117 0.096 0.000 1.040 324 I CA -0.143 61.113 61.300 -0.074 0.000 1.068 324 I CB 2.445 40.373 38.000 -0.119 0.000 1.251 324 I HN 0.763 nan 8.210 nan 0.000 0.424 325 S N 3.892 119.692 115.700 0.167 0.000 2.564 325 S HA 0.868 5.338 4.470 -0.000 0.000 0.274 325 S C -0.920 173.790 174.600 0.183 0.000 1.124 325 S CA -0.844 57.496 58.200 0.234 0.000 0.869 325 S CB 2.073 65.435 63.200 0.269 0.000 1.105 325 S HN 0.746 nan 8.310 nan 0.000 0.472 326 A N 1.849 124.763 122.820 0.155 0.000 2.412 326 A HA 0.569 4.889 4.320 -0.000 0.000 0.334 326 A C 1.111 178.693 177.584 -0.002 0.000 1.419 326 A CA -0.233 51.819 52.037 0.026 0.000 0.930 326 A CB -0.410 18.508 19.000 -0.136 0.000 1.149 326 A HN 1.256 nan 8.150 nan 0.000 0.515 327 T N -0.259 114.313 114.554 0.029 0.000 3.051 327 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 327 T C 1.382 176.057 174.700 -0.042 0.000 1.127 327 T CA 1.208 63.303 62.100 -0.007 0.000 1.107 327 T CB -0.327 68.546 68.868 0.009 0.000 0.898 327 T HN 0.622 nan 8.240 nan 0.000 0.517 328 K N 1.215 121.577 120.400 -0.062 0.000 2.211 328 K HA 0.078 4.398 4.320 -0.000 0.000 0.204 328 K C 2.624 179.183 176.600 -0.068 0.000 1.047 328 K CA 1.038 57.276 56.287 -0.081 0.000 0.935 328 K CB -0.399 31.994 32.500 -0.180 0.000 0.728 328 K HN 0.503 nan 8.250 nan 0.000 0.452 329 A N 0.860 123.629 122.820 -0.084 0.000 2.019 329 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 329 A C 1.986 179.542 177.584 -0.047 0.000 1.164 329 A CA 1.371 53.365 52.037 -0.070 0.000 0.644 329 A CB -0.294 18.663 19.000 -0.072 0.000 0.805 329 A HN 0.203 nan 8.150 nan 0.000 0.449 330 M N -1.144 118.424 119.600 -0.053 0.000 2.325 330 M HA -0.036 4.444 4.480 -0.000 0.000 0.265 330 M C 2.206 178.482 176.300 -0.040 0.000 1.094 330 M CA 1.666 56.933 55.300 -0.054 0.000 1.161 330 M CB -0.061 32.484 32.600 -0.092 0.000 1.358 330 M HN 0.576 nan 8.290 nan 0.000 0.446 331 T N -2.574 111.958 114.554 -0.038 0.000 3.037 331 T HA 0.452 4.802 4.350 -0.000 0.000 0.251 331 T C 1.071 175.796 174.700 0.041 0.000 1.079 331 T CA 0.333 62.430 62.100 -0.004 0.000 1.067 331 T CB -0.052 68.834 68.868 0.030 0.000 0.948 331 T HN 0.531 nan 8.240 nan 0.000 0.496 332 G N 1.287 110.118 108.800 0.050 0.000 2.782 332 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.228 332 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.228 332 G C -0.822 174.148 174.900 0.117 0.000 1.372 332 G CA -0.280 44.883 45.100 0.105 0.000 0.862 332 G HN 0.841 nan 8.290 nan 0.000 0.547 333 H N 0.579 119.659 119.070 0.017 0.000 2.623 333 H HA 0.605 5.161 4.556 -0.000 0.000 0.299 333 H C 1.512 176.787 175.328 -0.089 0.000 1.052 333 H CA -0.104 55.869 56.048 -0.125 0.000 1.231 333 H CB 0.644 30.170 29.762 -0.394 0.000 1.389 333 H HN 0.859 nan 8.280 nan 0.000 0.469 334 S N 4.711 120.505 115.700 0.157 0.000 2.710 334 S HA 0.157 4.627 4.470 -0.000 0.000 0.224 334 S C 1.198 175.774 174.600 -0.041 0.000 0.948 334 S CA -0.001 58.211 58.200 0.020 0.000 0.949 334 S CB -0.565 62.649 63.200 0.022 0.000 0.778 334 S HN 0.733 nan 8.310 nan 0.000 0.498 335 L N -0.327 120.776 121.223 -0.200 0.000 5.323 335 L HA -0.338 4.002 4.340 -0.000 0.000 0.053 335 L C 2.241 179.124 176.870 0.021 0.000 3.097 335 L CA 1.379 56.074 54.840 -0.242 0.000 1.447 335 L CB -2.009 39.919 42.059 -0.218 0.000 2.992 335 L HN 0.424 nan 8.230 nan 0.000 0.968 336 G N -1.048 107.780 108.800 0.047 0.000 2.450 336 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.220 336 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.220 336 G C 1.270 176.201 174.900 0.053 0.000 1.130 336 G CA 1.426 46.571 45.100 0.075 0.000 0.760 336 G HN 0.874 nan 8.290 nan 0.000 0.557 337 A N 0.402 123.245 122.820 0.038 0.000 2.208 337 A HA 0.610 4.930 4.320 -0.000 0.000 0.209 337 A C 2.573 180.145 177.584 -0.021 0.000 1.161 337 A CA 1.363 53.407 52.037 0.011 0.000 0.782 337 A CB -0.252 18.756 19.000 0.012 0.000 0.816 337 A HN 0.561 nan 8.150 nan 0.000 0.477 338 A N -0.025 122.803 122.820 0.014 0.000 1.898 338 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 338 A C 2.321 179.855 177.584 -0.083 0.000 1.181 338 A CA 1.782 53.815 52.037 -0.007 0.000 0.620 338 A CB -1.209 17.834 19.000 0.072 0.000 0.819 338 A HN 0.633 nan 8.150 nan 0.000 0.442 339 G N -0.867 107.892 108.800 -0.067 0.000 2.421 339 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 339 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 339 G C 1.643 176.457 174.900 -0.144 0.000 1.171 339 G CA 1.263 46.299 45.100 -0.107 0.000 0.775 339 G HN 0.529 nan 8.290 nan 0.000 0.543 340 V N 0.117 119.952 119.914 -0.132 0.000 2.453 340 V HA -0.114 4.006 4.120 -0.000 0.000 0.247 340 V C 2.741 178.681 176.094 -0.256 0.000 1.048 340 V CA 2.442 64.646 62.300 -0.161 0.000 1.049 340 V CB -0.243 31.512 31.823 -0.114 0.000 0.672 340 V HN 0.497 nan 8.190 nan 0.000 0.457 341 Q N -0.393 119.227 119.800 -0.301 0.000 2.084 341 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 341 Q C 2.165 177.575 176.000 -0.983 0.000 0.978 341 Q CA 2.224 57.689 55.803 -0.563 0.000 0.844 341 Q CB -0.142 28.344 28.738 -0.420 0.000 0.898 341 Q HN 0.726 nan 8.270 nan 0.000 0.426 342 E N 0.401 120.249 120.200 -0.587 0.000 2.152 342 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 342 E C 1.939 178.397 176.600 -0.237 0.000 0.983 342 E CA 0.702 56.875 56.400 -0.379 0.000 0.818 342 E CB -0.077 29.547 29.700 -0.126 0.000 0.758 342 E HN 0.335 nan 8.360 nan 0.000 0.467 343 A N 1.304 123.989 122.820 -0.226 0.000 1.908 343 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 343 A C 2.177 179.657 177.584 -0.173 0.000 1.181 343 A CA 1.183 53.124 52.037 -0.160 0.000 0.627 343 A CB -0.609 18.300 19.000 -0.152 0.000 0.818 343 A HN 0.150 nan 8.150 nan 0.000 0.445 344 I N -1.504 118.905 120.570 -0.268 0.000 2.179 344 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 344 I C 2.370 178.439 176.117 -0.081 0.000 1.088 344 I CA 1.348 62.512 61.300 -0.226 0.000 1.357 344 I CB -0.478 37.366 38.000 -0.259 0.000 1.051 344 I HN 0.400 nan 8.210 nan 0.000 0.409 345 Y N 0.744 121.025 120.300 -0.032 0.000 2.165 345 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 345 Y C 2.928 178.807 175.900 -0.035 0.000 1.155 345 Y CA 0.889 58.982 58.100 -0.013 0.000 1.164 345 Y CB -1.447 37.014 38.460 0.001 0.000 0.978 345 Y HN 0.113 nan 8.280 nan 0.000 0.513 346 S N 0.047 115.823 115.700 0.126 0.000 2.383 346 S HA -0.115 4.355 4.470 -0.000 0.000 0.227 346 S C 2.160 176.774 174.600 0.024 0.000 1.026 346 S CA 1.027 59.289 58.200 0.102 0.000 0.981 346 S CB -0.604 62.668 63.200 0.121 0.000 0.818 346 S HN 0.350 nan 8.310 nan 0.000 0.472 347 L N 1.038 122.259 121.223 -0.003 0.000 2.083 347 L HA -0.073 4.266 4.340 -0.000 0.000 0.209 347 L C 2.187 179.092 176.870 0.058 0.000 1.083 347 L CA 0.932 55.765 54.840 -0.011 0.000 0.752 347 L CB -0.567 41.410 42.059 -0.135 0.000 0.899 347 L HN 0.284 nan 8.230 nan 0.000 0.433 348 L N -1.121 120.157 121.223 0.093 0.000 2.046 348 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 348 L C 2.655 179.656 176.870 0.220 0.000 1.077 348 L CA 1.334 56.337 54.840 0.273 0.000 0.747 348 L CB -0.377 41.868 42.059 0.310 0.000 0.896 348 L HN 0.301 nan 8.230 nan 0.000 0.432 349 M N -0.849 118.668 119.600 -0.139 0.000 2.117 349 M HA -0.235 4.245 4.480 -0.000 0.000 0.262 349 M C 2.319 178.480 176.300 -0.232 0.000 1.065 349 M CA 1.621 56.571 55.300 -0.585 0.000 1.114 349 M CB -0.342 31.759 32.600 -0.833 0.000 1.361 349 M HN 0.221 nan 8.290 nan 0.000 0.408 350 L N 0.570 121.739 121.223 -0.090 0.000 2.027 350 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 350 L C 2.228 179.105 176.870 0.012 0.000 1.074 350 L CA 2.033 56.860 54.840 -0.023 0.000 0.745 350 L CB -0.595 41.473 42.059 0.015 0.000 0.898 350 L HN 0.220 nan 8.230 nan 0.000 0.433 351 E N -1.342 118.883 120.200 0.042 0.000 2.106 351 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 351 E C 1.841 178.330 176.600 -0.185 0.000 0.984 351 E CA 1.500 57.870 56.400 -0.051 0.000 0.806 351 E CB -0.105 29.596 29.700 0.002 0.000 0.750 351 E HN 0.641 nan 8.360 nan 0.000 0.458 352 H N -1.405 117.777 119.070 0.186 0.000 2.551 352 H HA 0.277 4.833 4.556 -0.000 0.000 0.271 352 H C 0.647 176.127 175.328 0.253 0.000 0.984 352 H CA 0.602 56.790 56.048 0.234 0.000 1.164 352 H CB 0.776 30.728 29.762 0.317 0.000 1.437 352 H HN 0.281 nan 8.280 nan 0.000 0.550 353 G N 1.921 110.856 108.800 0.225 0.000 2.324 353 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.292 353 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.292 353 G C -0.268 174.762 174.900 0.218 0.000 1.079 353 G CA 0.605 45.790 45.100 0.142 0.000 1.026 353 G HN 0.475 nan 8.290 nan 0.000 0.506 354 F N -1.872 118.062 119.950 -0.027 0.000 2.686 354 F HA 0.831 5.358 4.527 -0.000 0.000 0.311 354 F C -0.881 174.822 175.800 -0.162 0.000 1.128 354 F CA -2.701 55.259 58.000 -0.066 0.000 0.946 354 F CB 1.132 40.105 39.000 -0.045 0.000 1.336 354 F HN 0.051 nan 8.300 nan 0.000 0.457 355 I N 2.764 123.175 120.570 -0.264 0.000 2.382 355 I HA 0.608 4.778 4.170 -0.000 0.000 0.286 355 I C 0.155 176.181 176.117 -0.151 0.000 1.002 355 I CA -1.066 59.951 61.300 -0.473 0.000 1.135 355 I CB 1.545 39.382 38.000 -0.273 0.000 1.288 355 I HN 0.980 nan 8.210 nan 0.000 0.448 356 A N 9.326 131.997 122.820 -0.247 0.000 2.462 356 A HA 0.444 4.764 4.320 -0.000 0.000 0.243 356 A C -2.328 175.274 177.584 0.030 0.000 1.076 356 A CA -0.908 51.156 52.037 0.044 0.000 0.773 356 A CB -0.385 18.627 19.000 0.020 0.000 1.010 356 A HN 0.425 nan 8.150 nan 0.000 0.493 357 P HA 0.139 nan 4.420 nan 0.000 0.278 357 P C -0.355 176.978 177.300 0.054 0.000 1.238 357 P CA -0.269 62.862 63.100 0.051 0.000 0.794 357 P CB 1.168 32.890 31.700 0.036 0.000 0.955 358 S N 2.479 118.225 115.700 0.077 0.000 2.411 358 S HA 0.331 4.801 4.470 -0.000 0.000 0.304 358 S C 0.634 175.269 174.600 0.057 0.000 1.098 358 S CA -0.731 57.521 58.200 0.087 0.000 1.068 358 S CB -1.433 61.867 63.200 0.168 0.000 1.032 358 S HN 0.329 nan 8.310 nan 0.000 0.511 359 I N 2.049 122.632 120.570 0.021 0.000 2.970 359 I HA 0.522 4.692 4.170 -0.000 0.000 0.310 359 I C 0.329 176.445 176.117 -0.002 0.000 1.010 359 I CA -0.608 60.697 61.300 0.008 0.000 1.228 359 I CB 0.465 38.460 38.000 -0.008 0.000 1.433 359 I HN 0.497 nan 8.210 nan 0.000 0.573 360 N N 1.509 120.206 118.700 -0.005 0.000 2.782 360 N HA -0.163 4.577 4.740 -0.000 0.000 0.251 360 N C -0.595 174.913 175.510 -0.002 0.000 1.101 360 N CA 0.940 53.977 53.050 -0.021 0.000 0.764 360 N CB -1.557 36.891 38.487 -0.065 0.000 1.122 360 N HN 0.644 nan 8.380 nan 0.000 0.561 361 I N 1.116 121.704 120.570 0.030 0.000 2.241 361 I HA 0.068 4.238 4.170 -0.000 0.000 0.294 361 I C 1.510 177.661 176.117 0.056 0.000 1.145 361 I CA -0.112 61.222 61.300 0.057 0.000 1.261 361 I CB 0.411 38.463 38.000 0.087 0.000 1.475 361 I HN 0.016 nan 8.210 nan 0.000 0.533 362 E N 3.820 124.059 120.200 0.064 0.000 2.170 362 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 362 E C 0.541 177.194 176.600 0.088 0.000 0.981 362 E CA 0.697 57.140 56.400 0.071 0.000 0.830 362 E CB 0.530 30.277 29.700 0.079 0.000 0.775 362 E HN 0.568 nan 8.360 nan 0.000 0.470 363 E N 1.137 121.401 120.200 0.108 0.000 2.343 363 E HA 0.149 4.499 4.350 -0.000 0.000 0.260 363 E C -1.374 175.265 176.600 0.065 0.000 0.908 363 E CA -0.503 55.954 56.400 0.095 0.000 0.814 363 E CB 1.128 30.914 29.700 0.143 0.000 1.302 363 E HN -0.076 nan 8.360 nan 0.000 0.408 364 L N 4.190 125.445 121.223 0.052 0.000 2.490 364 L HA 0.106 4.446 4.340 -0.000 0.000 0.274 364 L C 0.260 177.148 176.870 0.031 0.000 1.201 364 L CA 0.495 55.364 54.840 0.048 0.000 0.869 364 L CB 0.676 42.752 42.059 0.029 0.000 1.123 364 L HN 0.568 nan 8.230 nan 0.000 0.484 365 D N 2.864 123.290 120.400 0.044 0.000 2.488 365 D HA -0.094 4.546 4.640 -0.000 0.000 0.238 365 D C 0.904 177.212 176.300 0.012 0.000 1.138 365 D CA 0.393 54.409 54.000 0.027 0.000 0.873 365 D CB 1.109 41.948 40.800 0.065 0.000 1.183 365 D HN 0.795 nan 8.370 nan 0.000 0.458 366 E N 2.480 122.683 120.200 0.004 0.000 2.118 366 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 366 E C 1.505 178.106 176.600 0.002 0.000 0.992 366 E CA 1.354 57.756 56.400 0.003 0.000 0.804 366 E CB -0.226 29.476 29.700 0.003 0.000 0.741 366 E HN 0.522 nan 8.360 nan 0.000 0.458 367 Q N -0.519 119.286 119.800 0.008 0.000 2.482 367 Q HA 0.194 4.534 4.340 -0.000 0.000 0.209 367 Q C 1.096 177.089 176.000 -0.011 0.000 0.961 367 Q CA 0.551 56.358 55.803 0.007 0.000 0.945 367 Q CB 0.121 28.872 28.738 0.022 0.000 1.012 367 Q HN 0.493 nan 8.270 nan 0.000 0.515 368 A N -0.205 122.599 122.820 -0.027 0.000 2.348 368 A HA 0.429 4.749 4.320 -0.000 0.000 0.224 368 A C 0.747 178.287 177.584 -0.074 0.000 1.227 368 A CA 0.027 52.013 52.037 -0.084 0.000 0.885 368 A CB 0.215 19.137 19.000 -0.131 0.000 0.933 368 A HN 0.281 nan 8.150 nan 0.000 0.506 369 A N -0.635 122.162 122.820 -0.039 0.000 2.511 369 A HA 0.442 4.762 4.320 -0.000 0.000 0.242 369 A C 1.605 179.169 177.584 -0.033 0.000 1.069 369 A CA 0.703 52.722 52.037 -0.029 0.000 0.763 369 A CB -0.566 18.425 19.000 -0.014 0.000 1.001 369 A HN 1.928 nan 8.150 nan 0.000 0.498 370 G N 0.963 109.744 108.800 -0.032 0.000 2.176 370 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.253 370 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.253 370 G C 0.047 174.923 174.900 -0.040 0.000 0.979 370 G CA 0.445 45.528 45.100 -0.028 0.000 0.641 370 G HN 0.795 nan 8.290 nan 0.000 0.530 371 L N 0.113 121.299 121.223 -0.062 0.000 2.375 371 L HA 0.424 4.764 4.340 -0.000 0.000 0.268 371 L C 0.959 177.780 176.870 -0.082 0.000 1.058 371 L CA -0.739 54.051 54.840 -0.082 0.000 0.803 371 L CB 1.371 43.356 42.059 -0.123 0.000 1.212 371 L HN 0.219 nan 8.230 nan 0.000 0.451 372 N N 2.354 121.005 118.700 -0.081 0.000 3.188 372 N HA 0.156 4.896 4.740 -0.000 0.000 0.279 372 N C -0.752 174.722 175.510 -0.061 0.000 1.213 372 N CA -0.487 52.527 53.050 -0.060 0.000 1.138 372 N CB 0.255 38.711 38.487 -0.052 0.000 1.417 372 N HN 0.367 nan 8.380 nan 0.000 0.526 373 I N 3.056 123.582 120.570 -0.073 0.000 2.363 373 I HA 0.091 4.261 4.170 -0.000 0.000 0.292 373 I C 0.311 176.432 176.117 0.007 0.000 1.075 373 I CA -0.325 60.941 61.300 -0.058 0.000 1.333 373 I CB 0.941 38.863 38.000 -0.131 0.000 1.415 373 I HN 0.052 nan 8.210 nan 0.000 0.502 374 V N 7.222 127.164 119.914 0.046 0.000 2.455 374 V HA 0.136 4.256 4.120 -0.000 0.000 0.273 374 V C 1.296 177.427 176.094 0.061 0.000 1.045 374 V CA 0.034 62.366 62.300 0.053 0.000 0.976 374 V CB 1.148 33.013 31.823 0.070 0.000 0.993 374 V HN 0.904 nan 8.190 nan 0.000 0.475 375 T N 0.402 114.984 114.554 0.045 0.000 3.040 375 T HA 0.330 4.680 4.350 -0.000 0.000 0.266 375 T C 0.254 174.975 174.700 0.035 0.000 1.005 375 T CA -0.246 61.881 62.100 0.045 0.000 0.906 375 T CB 0.380 69.272 68.868 0.041 0.000 1.082 375 T HN 0.527 nan 8.240 nan 0.000 0.531 376 E N 1.682 121.902 120.200 0.033 0.000 2.293 376 E HA 0.364 4.714 4.350 -0.000 0.000 0.270 376 E C -0.900 175.722 176.600 0.037 0.000 0.879 376 E CA -0.588 55.829 56.400 0.027 0.000 0.756 376 E CB 1.932 31.644 29.700 0.020 0.000 1.208 376 E HN 0.094 nan 8.360 nan 0.000 0.428 377 T N 2.109 116.687 114.554 0.039 0.000 2.871 377 T HA 0.163 4.513 4.350 -0.000 0.000 0.296 377 T C -0.115 174.624 174.700 0.065 0.000 0.998 377 T CA 0.543 62.685 62.100 0.071 0.000 1.162 377 T CB 0.042 68.934 68.868 0.041 0.000 0.947 377 T HN 0.239 nan 8.240 nan 0.000 0.536 378 T N 4.070 118.678 114.554 0.091 0.000 2.847 378 T HA 0.219 4.569 4.350 -0.000 0.000 0.291 378 T C -0.440 174.316 174.700 0.094 0.000 0.998 378 T CA -0.928 61.210 62.100 0.064 0.000 0.967 378 T CB 1.014 69.903 68.868 0.035 0.000 0.954 378 T HN 0.454 nan 8.240 nan 0.000 0.441 379 D N 2.966 123.417 120.400 0.084 0.000 2.425 379 D HA 0.302 4.942 4.640 -0.000 0.000 0.247 379 D C 0.423 176.758 176.300 0.060 0.000 1.147 379 D CA 0.387 54.444 54.000 0.096 0.000 0.879 379 D CB 0.875 41.714 40.800 0.065 0.000 1.179 379 D HN 0.413 nan 8.370 nan 0.000 0.456 380 R N 1.229 121.763 120.500 0.056 0.000 2.579 380 R HA 0.074 4.414 4.340 -0.000 0.000 0.260 380 R C -1.219 175.093 176.300 0.021 0.000 1.103 380 R CA -0.604 55.512 56.100 0.025 0.000 0.942 380 R CB 1.414 31.717 30.300 0.005 0.000 1.251 380 R HN 0.328 nan 8.270 nan 0.000 0.450 381 E N 5.643 125.854 120.200 0.018 0.000 2.104 381 E HA 0.139 4.489 4.350 -0.000 0.000 0.278 381 E C -0.745 175.859 176.600 0.006 0.000 1.127 381 E CA -0.180 56.229 56.400 0.015 0.000 0.897 381 E CB 0.469 30.178 29.700 0.014 0.000 1.043 381 E HN 0.378 nan 8.360 nan 0.000 0.410 382 L N 3.603 124.825 121.223 -0.002 0.000 2.357 382 L HA 0.272 4.612 4.340 -0.000 0.000 0.273 382 L C 1.041 177.914 176.870 0.006 0.000 1.080 382 L CA -0.393 54.447 54.840 -0.001 0.000 0.803 382 L CB 1.553 43.599 42.059 -0.022 0.000 1.174 382 L HN 0.539 nan 8.230 nan 0.000 0.443 383 T N -1.294 113.268 114.554 0.013 0.000 3.075 383 T HA 0.092 4.442 4.350 -0.000 0.000 0.251 383 T C 0.263 174.974 174.700 0.020 0.000 0.979 383 T CA 0.295 62.403 62.100 0.013 0.000 1.033 383 T CB 0.689 69.563 68.868 0.011 0.000 1.104 383 T HN 0.600 nan 8.240 nan 0.000 0.473 384 T N 2.809 117.380 114.554 0.028 0.000 2.879 384 T HA 0.674 5.024 4.350 -0.000 0.000 0.290 384 T C -0.878 173.849 174.700 0.046 0.000 0.993 384 T CA -0.697 61.424 62.100 0.035 0.000 0.975 384 T CB 2.071 70.961 68.868 0.036 0.000 0.981 384 T HN 0.223 nan 8.240 nan 0.000 0.439 385 V N 1.187 121.132 119.914 0.051 0.000 2.914 385 V HA 0.866 4.986 4.120 -0.000 0.000 0.314 385 V C -0.684 175.425 176.094 0.024 0.000 1.084 385 V CA -1.240 61.098 62.300 0.063 0.000 0.963 385 V CB 2.143 34.052 31.823 0.142 0.000 1.025 385 V HN 0.979 nan 8.190 nan 0.000 0.432 386 M N 3.192 122.772 119.600 -0.033 0.000 2.465 386 M HA 0.763 5.243 4.480 -0.000 0.000 0.316 386 M C -0.806 175.438 176.300 -0.095 0.000 1.121 386 M CA -0.274 55.008 55.300 -0.030 0.000 0.934 386 M CB 2.113 34.723 32.600 0.017 0.000 1.692 386 M HN 1.011 nan 8.290 nan 0.000 0.444 387 S N 3.340 118.996 115.700 -0.074 0.000 2.594 387 S HA 0.576 5.046 4.470 -0.000 0.000 0.296 387 S C -1.447 173.055 174.600 -0.164 0.000 1.124 387 S CA -0.798 57.332 58.200 -0.118 0.000 1.011 387 S CB 0.969 64.117 63.200 -0.088 0.000 1.016 387 S HN 0.848 nan 8.310 nan 0.000 0.485 388 N N 2.183 120.723 118.700 -0.267 0.000 2.443 388 N HA 0.546 5.286 4.740 -0.000 0.000 0.295 388 N C -1.326 173.800 175.510 -0.641 0.000 1.076 388 N CA -0.380 52.333 53.050 -0.561 0.000 0.919 388 N CB 1.832 39.852 38.487 -0.779 0.000 1.176 388 N HN 0.497 nan 8.380 nan 0.000 0.487 389 S N 1.737 116.972 115.700 -0.774 0.000 2.789 389 S HA 0.484 4.954 4.470 -0.000 0.000 0.286 389 S C -1.306 172.961 174.600 -0.555 0.000 1.153 389 S CA -0.591 57.300 58.200 -0.516 0.000 1.084 389 S CB 0.179 63.224 63.200 -0.257 0.000 1.036 389 S HN 0.272 nan 8.310 nan 0.000 0.484 390 F N 1.871 121.401 119.950 -0.700 0.000 2.434 390 F HA 0.643 5.170 4.527 -0.000 0.000 0.355 390 F C 0.816 176.259 175.800 -0.594 0.000 1.115 390 F CA -1.115 56.510 58.000 -0.625 0.000 1.010 390 F CB 1.291 39.905 39.000 -0.643 0.000 1.234 390 F HN 0.604 nan 8.300 nan 0.000 0.439 391 G N 1.771 110.521 108.800 -0.083 0.000 2.434 391 G HA2 0.535 4.495 3.960 -0.000 0.000 0.330 391 G HA3 0.535 4.495 3.960 -0.000 0.000 0.330 391 G C -0.727 174.138 174.900 -0.058 0.000 1.155 391 G CA -0.637 44.419 45.100 -0.074 0.000 0.917 391 G HN 0.252 nan 8.290 nan 0.000 0.493 392 F N 0.269 120.327 119.950 0.181 0.000 2.646 392 F HA 0.279 4.806 4.527 -0.000 0.000 0.363 392 F C 1.712 177.584 175.800 0.119 0.000 1.143 392 F CA 1.669 59.766 58.000 0.162 0.000 1.356 392 F CB 0.418 39.534 39.000 0.193 0.000 1.055 392 F HN 0.893 nan 8.300 nan 0.000 0.606 393 G N 0.664 109.635 108.800 0.285 0.000 2.157 393 G HA2 0.068 4.028 3.960 -0.000 0.000 0.248 393 G HA3 0.068 4.028 3.960 -0.000 0.000 0.248 393 G C 0.796 175.762 174.900 0.111 0.000 0.979 393 G CA 0.155 45.357 45.100 0.170 0.000 0.650 393 G HN 1.988 nan 8.290 nan 0.000 0.529 394 G N -1.133 107.723 108.800 0.093 0.000 2.295 394 G HA2 0.127 4.087 3.960 -0.000 0.000 0.287 394 G HA3 0.127 4.087 3.960 -0.000 0.000 0.287 394 G C 0.288 175.214 174.900 0.043 0.000 1.055 394 G CA 1.373 46.496 45.100 0.038 0.000 0.922 394 G HN 2.048 nan 8.290 nan 0.000 0.503 395 T N 0.155 114.759 114.554 0.083 0.000 2.779 395 T HA 0.604 4.954 4.350 -0.000 0.000 0.280 395 T C -0.265 174.551 174.700 0.192 0.000 0.987 395 T CA -0.721 61.465 62.100 0.144 0.000 0.966 395 T CB 0.497 69.476 68.868 0.186 0.000 0.933 395 T HN 0.290 nan 8.240 nan 0.000 0.442 396 N N 3.048 121.881 118.700 0.220 0.000 2.284 396 N HA 0.704 5.444 4.740 -0.000 0.000 0.300 396 N C -1.179 174.450 175.510 0.198 0.000 1.047 396 N CA -0.563 52.643 53.050 0.260 0.000 0.821 396 N CB 2.099 40.676 38.487 0.150 0.000 1.337 396 N HN 0.770 nan 8.380 nan 0.000 0.482 397 A N 0.922 123.767 122.820 0.041 0.000 2.414 397 A HA 0.811 5.131 4.320 -0.000 0.000 0.306 397 A C -0.672 176.900 177.584 -0.021 0.000 1.054 397 A CA -0.481 51.507 52.037 -0.082 0.000 0.724 397 A CB 1.346 20.070 19.000 -0.460 0.000 1.267 397 A HN 0.448 nan 8.150 nan 0.000 0.418 398 T N 2.027 116.617 114.554 0.060 0.000 2.916 398 T HA 0.598 4.948 4.350 -0.000 0.000 0.298 398 T C -0.879 173.884 174.700 0.104 0.000 1.031 398 T CA -0.234 61.890 62.100 0.041 0.000 0.993 398 T CB 0.925 69.844 68.868 0.086 0.000 1.045 398 T HN 0.493 nan 8.240 nan 0.000 0.454 399 L N 2.645 123.894 121.223 0.044 0.000 2.346 399 L HA 0.782 5.121 4.340 -0.000 0.000 0.276 399 L C -0.782 176.111 176.870 0.039 0.000 1.006 399 L CA -1.130 53.745 54.840 0.058 0.000 0.817 399 L CB 2.005 44.061 42.059 -0.006 0.000 1.272 399 L HN 0.328 nan 8.230 nan 0.000 0.421 400 V N 3.801 123.749 119.914 0.056 0.000 2.495 400 V HA 0.549 4.669 4.120 -0.000 0.000 0.298 400 V C -0.183 175.932 176.094 0.035 0.000 1.031 400 V CA -0.392 61.936 62.300 0.048 0.000 0.871 400 V CB 1.873 33.735 31.823 0.064 0.000 0.988 400 V HN 0.712 nan 8.190 nan 0.000 0.432 401 M N 4.988 124.604 119.600 0.027 0.000 2.395 401 M HA 0.672 5.152 4.480 -0.000 0.000 0.307 401 M C -0.629 175.685 176.300 0.024 0.000 1.091 401 M CA -0.422 54.889 55.300 0.019 0.000 0.919 401 M CB 2.664 35.269 32.600 0.008 0.000 1.662 401 M HN 0.531 nan 8.290 nan 0.000 0.440 402 R N 1.436 121.947 120.500 0.018 0.000 2.621 402 R HA 0.452 4.792 4.340 -0.000 0.000 0.284 402 R C -1.079 175.225 176.300 0.006 0.000 0.998 402 R CA -0.766 55.343 56.100 0.015 0.000 0.895 402 R CB 1.889 32.198 30.300 0.015 0.000 1.195 402 R HN 0.662 nan 8.270 nan 0.000 0.450 403 K N 3.363 123.765 120.400 0.004 0.000 2.485 403 K HA 0.063 4.383 4.320 -0.000 0.000 0.277 403 K C -0.175 176.415 176.600 -0.016 0.000 0.990 403 K CA 0.353 56.635 56.287 -0.009 0.000 0.994 403 K CB 0.478 32.973 32.500 -0.008 0.000 0.906 403 K HN 0.415 nan 8.250 nan 0.000 0.488 404 L N 2.790 123.994 121.223 -0.031 0.000 2.375 404 L HA 0.287 4.627 4.340 -0.000 0.000 0.268 404 L C 0.476 177.327 176.870 -0.031 0.000 1.058 404 L CA -1.071 53.751 54.840 -0.031 0.000 0.803 404 L CB 0.887 42.923 42.059 -0.040 0.000 1.212 404 L HN 0.396 nan 8.230 nan 0.000 0.451 405 K N 1.256 121.642 120.400 -0.024 0.000 2.326 405 K HA 0.190 4.510 4.320 -0.000 0.000 0.275 405 K C -0.679 175.906 176.600 -0.026 0.000 1.018 405 K CA -0.138 56.136 56.287 -0.021 0.000 0.962 405 K CB 0.954 33.445 32.500 -0.015 0.000 0.953 405 K HN 0.443 nan 8.250 nan 0.000 0.475 406 D N 0.000 120.386 120.400 -0.024 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 406 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683