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 2vb7_1_A 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 MRKL 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 0.000 176.309 176.300 0.014 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.614 32.600 0.024 0.000 1.302 2 K N 3.298 123.706 120.400 0.012 0.000 2.436 2 K HA 0.288 4.608 4.320 -0.000 0.000 0.275 2 K C -0.642 175.963 176.600 0.007 0.000 0.999 2 K CA 0.109 56.401 56.287 0.008 0.000 0.980 2 K CB 0.439 32.941 32.500 0.003 0.000 0.919 2 K HN 0.673 nan 8.250 nan 0.000 0.484 3 R N 0.427 120.929 120.500 0.003 0.000 2.540 3 R HA 0.544 4.884 4.340 -0.000 0.000 0.287 3 R C -0.483 175.811 176.300 -0.010 0.000 0.980 3 R CA -0.679 55.421 56.100 0.001 0.000 0.966 3 R CB 1.674 31.975 30.300 0.001 0.000 1.106 3 R HN 0.640 nan 8.270 nan 0.000 0.480 4 A N 2.092 124.904 122.820 -0.013 0.000 2.331 4 A HA 0.628 4.948 4.320 -0.000 0.000 0.320 4 A C -0.462 177.104 177.584 -0.030 0.000 1.138 4 A CA -0.682 51.336 52.037 -0.031 0.000 0.790 4 A CB 1.134 20.110 19.000 -0.040 0.000 1.206 4 A HN 0.533 nan 8.150 nan 0.000 0.470 5 V N 0.181 120.073 119.914 -0.036 0.000 3.074 5 V HA 0.735 4.855 4.120 -0.000 0.000 0.314 5 V C -0.639 175.436 176.094 -0.032 0.000 1.117 5 V CA -1.086 61.198 62.300 -0.028 0.000 1.014 5 V CB 1.766 33.574 31.823 -0.026 0.000 1.057 5 V HN 0.627 nan 8.190 nan 0.000 0.438 6 I N 3.018 123.587 120.570 -0.001 0.000 2.336 6 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 6 I C 1.063 177.258 176.117 0.131 0.000 0.991 6 I CA 0.230 61.544 61.300 0.023 0.000 1.227 6 I CB 1.251 39.252 38.000 0.002 0.000 1.366 6 I HN 1.056 nan 8.210 nan 0.000 0.466 7 T N 0.965 115.583 114.554 0.107 0.000 3.043 7 T HA 0.466 4.816 4.350 -0.000 0.000 0.272 7 T C 0.481 175.319 174.700 0.230 0.000 0.990 7 T CA -0.294 61.889 62.100 0.139 0.000 0.897 7 T CB 0.558 69.447 68.868 0.034 0.000 1.111 7 T HN 0.767 nan 8.240 nan 0.000 0.529 8 G N 1.441 110.378 108.800 0.228 0.000 2.702 8 G HA2 0.564 4.524 3.960 -0.000 0.000 0.296 8 G HA3 0.564 4.524 3.960 -0.000 0.000 0.296 8 G C -1.994 172.934 174.900 0.047 0.000 1.463 8 G CA -0.891 44.333 45.100 0.207 0.000 0.890 8 G HN 0.653 nan 8.290 nan 0.000 0.534 9 L N -0.979 120.252 121.223 0.013 0.000 2.415 9 L HA 1.075 5.415 4.340 -0.000 0.000 0.256 9 L C -0.045 176.798 176.870 -0.045 0.000 1.010 9 L CA -0.948 53.838 54.840 -0.091 0.000 0.826 9 L CB 1.895 43.806 42.059 -0.247 0.000 1.405 9 L HN 1.292 nan 8.230 nan 0.000 0.410 10 G N 0.637 109.399 108.800 -0.062 0.000 2.746 10 G HA2 0.738 4.698 3.960 -0.000 0.000 0.297 10 G HA3 0.738 4.698 3.960 -0.000 0.000 0.297 10 G C -2.129 172.742 174.900 -0.047 0.000 1.426 10 G CA -0.567 44.507 45.100 -0.043 0.000 0.989 10 G HN 1.028 nan 8.290 nan 0.000 0.520 11 I N 0.875 121.430 120.570 -0.025 0.000 2.743 11 I HA 0.565 4.735 4.170 -0.000 0.000 0.292 11 I C -1.537 174.572 176.117 -0.013 0.000 1.343 11 I CA -0.871 60.413 61.300 -0.027 0.000 1.038 11 I CB 2.254 40.238 38.000 -0.027 0.000 1.311 11 I HN 0.363 nan 8.210 nan 0.000 0.426 12 V N 6.491 126.384 119.914 -0.034 0.000 2.409 12 V HA 0.618 4.738 4.120 -0.000 0.000 0.290 12 V C -0.267 175.741 176.094 -0.144 0.000 1.017 12 V CA -0.256 61.996 62.300 -0.079 0.000 0.841 12 V CB 1.425 33.203 31.823 -0.075 0.000 1.003 12 V HN 0.800 nan 8.190 nan 0.000 0.426 13 S N 2.258 117.898 115.700 -0.100 0.000 2.667 13 S HA 0.452 4.922 4.470 -0.000 0.000 0.292 13 S C 1.071 175.616 174.600 -0.091 0.000 1.126 13 S CA 0.070 58.228 58.200 -0.069 0.000 0.881 13 S CB 1.890 65.136 63.200 0.077 0.000 1.132 13 S HN 0.878 nan 8.310 nan 0.000 0.492 14 S N 0.608 116.261 115.700 -0.077 0.000 2.442 14 S HA -0.108 4.362 4.470 -0.000 0.000 0.236 14 S C 1.444 176.015 174.600 -0.048 0.000 1.007 14 S CA 1.112 59.265 58.200 -0.078 0.000 0.965 14 S CB -1.144 62.023 63.200 -0.054 0.000 0.773 14 S HN 1.041 nan 8.310 nan 0.000 0.504 15 I N -2.413 118.136 120.570 -0.035 0.000 3.941 15 I HA 0.662 4.832 4.170 -0.000 0.000 0.335 15 I C 0.597 176.695 176.117 -0.033 0.000 1.402 15 I CA -0.307 60.965 61.300 -0.047 0.000 1.112 15 I CB 0.171 38.111 38.000 -0.100 0.000 1.043 15 I HN 0.295 nan 8.210 nan 0.000 0.395 16 G N 1.000 109.787 108.800 -0.021 0.000 2.368 16 G HA2 0.029 3.989 3.960 -0.000 0.000 0.301 16 G HA3 0.029 3.989 3.960 -0.000 0.000 0.301 16 G C -0.835 174.057 174.900 -0.013 0.000 1.640 16 G CA -0.653 44.438 45.100 -0.014 0.000 0.941 16 G HN -0.006 nan 8.290 nan 0.000 0.695 17 N N 0.089 118.781 118.700 -0.013 0.000 2.280 17 N HA 0.110 4.850 4.740 -0.000 0.000 0.192 17 N C 0.410 175.924 175.510 0.005 0.000 1.109 17 N CA 0.712 53.756 53.050 -0.011 0.000 0.855 17 N CB 0.326 38.809 38.487 -0.005 0.000 0.974 17 N HN 0.820 nan 8.380 nan 0.000 0.482 18 N N -1.604 117.102 118.700 0.010 0.000 3.179 18 N HA -0.019 4.720 4.740 -0.000 0.000 0.250 18 N C 0.322 175.847 175.510 0.025 0.000 1.507 18 N CA -0.650 52.410 53.050 0.017 0.000 0.883 18 N CB 0.423 38.921 38.487 0.018 0.000 1.435 18 N HN -0.151 nan 8.380 nan 0.000 0.532 19 Q N -1.284 118.536 119.800 0.033 0.000 2.230 19 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 19 Q C 0.710 176.727 176.000 0.028 0.000 0.963 19 Q CA 1.371 57.203 55.803 0.048 0.000 0.866 19 Q CB -0.249 28.531 28.738 0.069 0.000 0.931 19 Q HN 0.610 nan 8.270 nan 0.000 0.452 20 Q N 1.362 121.168 119.800 0.011 0.000 2.046 20 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 20 Q C 1.768 177.747 176.000 -0.035 0.000 0.975 20 Q CA 1.917 57.708 55.803 -0.021 0.000 0.836 20 Q CB 0.035 28.763 28.738 -0.017 0.000 0.896 20 Q HN 0.554 nan 8.270 nan 0.000 0.428 21 E N -0.344 119.844 120.200 -0.019 0.000 2.110 21 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 21 E C 1.989 178.572 176.600 -0.028 0.000 0.988 21 E CA 1.216 57.601 56.400 -0.026 0.000 0.804 21 E CB -0.010 29.680 29.700 -0.016 0.000 0.745 21 E HN 0.115 nan 8.360 nan 0.000 0.458 22 V N 1.537 121.451 119.914 -0.001 0.000 2.295 22 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 22 V C 2.328 178.419 176.094 -0.006 0.000 1.049 22 V CA 1.486 63.795 62.300 0.016 0.000 1.024 22 V CB -0.383 31.506 31.823 0.110 0.000 0.648 22 V HN 0.235 nan 8.190 nan 0.000 0.447 23 L N 0.966 122.183 121.223 -0.010 0.000 2.042 23 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 23 L C 2.419 179.202 176.870 -0.145 0.000 1.076 23 L CA 2.477 57.285 54.840 -0.054 0.000 0.749 23 L CB -0.954 41.007 42.059 -0.163 0.000 0.893 23 L HN 0.215 nan 8.230 nan 0.000 0.432 24 A N -1.377 121.363 122.820 -0.133 0.000 1.902 24 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 24 A C 2.383 179.894 177.584 -0.121 0.000 1.181 24 A CA 1.993 53.945 52.037 -0.142 0.000 0.623 24 A CB -0.990 17.948 19.000 -0.103 0.000 0.818 24 A HN 0.547 nan 8.150 nan 0.000 0.443 25 S N -0.123 115.522 115.700 -0.092 0.000 2.368 25 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 25 S C 1.828 176.374 174.600 -0.090 0.000 1.030 25 S CA 1.392 59.540 58.200 -0.087 0.000 0.999 25 S CB -0.458 62.689 63.200 -0.088 0.000 0.844 25 S HN 0.504 nan 8.310 nan 0.000 0.459 26 L N 0.879 122.056 121.223 -0.076 0.000 2.046 26 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 26 L C 2.714 179.606 176.870 0.036 0.000 1.077 26 L CA 1.326 56.172 54.840 0.010 0.000 0.747 26 L CB -0.398 41.770 42.059 0.182 0.000 0.896 26 L HN 0.222 nan 8.230 nan 0.000 0.432 27 R N -0.156 120.245 120.500 -0.166 0.000 2.115 27 R HA -0.131 4.209 4.340 -0.000 0.000 0.226 27 R C 1.873 178.087 176.300 -0.144 0.000 1.100 27 R CA 1.064 56.981 56.100 -0.306 0.000 0.980 27 R CB -0.058 29.932 30.300 -0.517 0.000 0.875 27 R HN 0.397 nan 8.270 nan 0.000 0.445 28 E N -0.791 119.342 120.200 -0.112 0.000 2.478 28 E HA 0.072 4.422 4.350 -0.000 0.000 0.194 28 E C 0.623 177.194 176.600 -0.049 0.000 1.045 28 E CA 0.355 56.709 56.400 -0.077 0.000 0.868 28 E CB 0.674 30.328 29.700 -0.076 0.000 0.885 28 E HN 0.444 nan 8.360 nan 0.000 0.505 29 G N 2.523 111.298 108.800 -0.041 0.000 2.249 29 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.273 29 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.273 29 G C 0.052 174.929 174.900 -0.039 0.000 1.036 29 G CA 0.542 45.623 45.100 -0.032 0.000 0.824 29 G HN 0.240 nan 8.290 nan 0.000 0.504 30 R N 0.311 120.782 120.500 -0.049 0.000 2.298 30 R HA 0.503 4.843 4.340 -0.000 0.000 0.310 30 R C 0.801 177.075 176.300 -0.043 0.000 1.068 30 R CA 0.217 56.291 56.100 -0.042 0.000 0.957 30 R CB 0.545 30.819 30.300 -0.043 0.000 1.003 30 R HN 0.249 nan 8.270 nan 0.000 0.454 31 S N 2.330 118.014 115.700 -0.027 0.000 2.562 31 S HA 0.160 4.630 4.470 -0.000 0.000 0.281 31 S C 1.007 175.602 174.600 -0.008 0.000 1.333 31 S CA -0.059 58.130 58.200 -0.018 0.000 1.052 31 S CB 1.007 64.206 63.200 -0.002 0.000 0.884 31 S HN 0.810 nan 8.310 nan 0.000 0.506 32 G N 4.102 112.897 108.800 -0.007 0.000 3.233 32 G HA2 0.229 4.189 3.960 -0.000 0.000 0.234 32 G HA3 0.229 4.189 3.960 -0.000 0.000 0.234 32 G C 0.138 175.065 174.900 0.044 0.000 1.137 32 G CA -0.242 44.861 45.100 0.004 0.000 0.763 32 G HN 0.614 nan 8.290 nan 0.000 0.549 33 I N 2.486 123.096 120.570 0.066 0.000 2.365 33 I HA 0.383 4.553 4.170 -0.000 0.000 0.291 33 I C 0.515 176.726 176.117 0.158 0.000 1.004 33 I CA -0.393 60.980 61.300 0.122 0.000 1.311 33 I CB 0.594 38.654 38.000 0.101 0.000 1.401 33 I HN 0.050 nan 8.210 nan 0.000 0.491 34 T N 2.546 117.250 114.554 0.250 0.000 2.901 34 T HA 0.537 4.887 4.350 -0.000 0.000 0.293 34 T C -0.483 174.372 174.700 0.258 0.000 1.084 34 T CA -0.728 61.529 62.100 0.262 0.000 1.008 34 T CB 1.844 70.885 68.868 0.288 0.000 1.170 34 T HN 0.211 nan 8.240 nan 0.000 0.509 35 F N 1.726 121.722 119.950 0.078 0.000 2.471 35 F HA 0.523 5.050 4.527 -0.000 0.000 0.353 35 F C 0.517 176.231 175.800 -0.143 0.000 1.113 35 F CA -0.058 57.932 58.000 -0.016 0.000 1.262 35 F CB 0.831 39.832 39.000 0.001 0.000 1.146 35 F HN 0.683 nan 8.300 nan 0.000 0.578 36 S N 4.867 119.775 115.700 -1.321 0.000 2.566 36 S HA 0.195 4.664 4.470 -0.000 0.000 0.324 36 S C 0.531 174.300 174.600 -1.384 0.000 1.081 36 S CA -0.679 56.674 58.200 -1.412 0.000 1.105 36 S CB 1.279 63.186 63.200 -2.156 0.000 0.981 36 S HN 0.879 nan 8.310 nan 0.000 0.464 37 Q N 3.429 122.743 119.800 -0.810 0.000 2.170 37 Q HA -0.094 4.246 4.340 -0.000 0.000 0.203 37 Q C 1.764 177.527 176.000 -0.394 0.000 0.976 37 Q CA 2.235 57.774 55.803 -0.440 0.000 0.858 37 Q CB -0.157 28.540 28.738 -0.067 0.000 0.907 37 Q HN 0.917 nan 8.270 nan 0.000 0.433 38 E N -0.415 119.554 120.200 -0.384 0.000 2.038 38 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 38 E C 1.795 178.219 176.600 -0.293 0.000 1.000 38 E CA 1.489 57.743 56.400 -0.243 0.000 0.803 38 E CB -0.228 29.436 29.700 -0.059 0.000 0.750 38 E HN 0.466 nan 8.360 nan 0.000 0.448 39 L N 0.546 121.482 121.223 -0.477 0.000 2.046 39 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 39 L C 2.877 179.583 176.870 -0.274 0.000 1.077 39 L CA 1.551 56.215 54.840 -0.292 0.000 0.747 39 L CB -0.550 41.307 42.059 -0.337 0.000 0.896 39 L HN 0.170 nan 8.230 nan 0.000 0.432 40 K N 0.299 120.409 120.400 -0.483 0.000 2.026 40 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 40 K C 1.696 178.084 176.600 -0.354 0.000 1.048 40 K CA 1.825 57.740 56.287 -0.620 0.000 0.929 40 K CB 0.007 32.045 32.500 -0.769 0.000 0.713 40 K HN 0.195 nan 8.250 nan 0.000 0.439 41 D N 0.137 120.358 120.400 -0.299 0.000 2.178 41 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 41 D C 1.881 178.007 176.300 -0.290 0.000 0.980 41 D CA 1.512 55.366 54.000 -0.244 0.000 0.842 41 D CB -0.180 40.492 40.800 -0.213 0.000 0.948 41 D HN 0.350 nan 8.370 nan 0.000 0.472 42 S N -0.843 114.650 115.700 -0.346 0.000 2.515 42 S HA 0.106 4.576 4.470 -0.000 0.000 0.231 42 S C 1.749 176.180 174.600 -0.282 0.000 0.987 42 S CA 1.095 59.010 58.200 -0.475 0.000 0.936 42 S CB 0.106 63.019 63.200 -0.479 0.000 0.766 42 S HN 0.335 nan 8.310 nan 0.000 0.528 43 G N 0.481 109.179 108.800 -0.170 0.000 2.159 43 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.227 43 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.227 43 G C 0.024 174.924 174.900 -0.000 0.000 0.986 43 G CA 0.121 45.172 45.100 -0.081 0.000 0.651 43 G HN 0.504 nan 8.290 nan 0.000 0.523 44 M N -0.371 119.246 119.600 0.027 0.000 2.226 44 M HA 0.366 4.846 4.480 -0.000 0.000 0.324 44 M C 1.857 178.255 176.300 0.164 0.000 1.112 44 M CA 0.145 55.500 55.300 0.091 0.000 1.176 44 M CB 0.497 33.157 32.600 0.101 0.000 1.430 44 M HN 0.177 nan 8.290 nan 0.000 0.462 45 R N -0.206 120.327 120.500 0.056 0.000 2.173 45 R HA 0.085 4.425 4.340 -0.000 0.000 0.208 45 R C 0.494 176.626 176.300 -0.280 0.000 1.035 45 R CA 0.248 56.310 56.100 -0.064 0.000 1.004 45 R CB 0.215 30.480 30.300 -0.058 0.000 0.917 45 R HN 0.564 nan 8.270 nan 0.000 0.462 46 S N 0.447 116.070 115.700 -0.128 0.000 2.452 46 S HA 0.120 4.590 4.470 -0.000 0.000 0.284 46 S C -0.149 174.425 174.600 -0.042 0.000 1.171 46 S CA -0.576 57.539 58.200 -0.142 0.000 1.064 46 S CB 0.300 63.456 63.200 -0.075 0.000 0.967 46 S HN 0.343 nan 8.310 nan 0.000 0.484 47 H N 2.869 121.885 119.070 -0.090 0.000 2.475 47 H HA 0.354 4.910 4.556 -0.000 0.000 0.276 47 H C -0.086 175.047 175.328 -0.326 0.000 1.126 47 H CA -0.639 55.259 56.048 -0.250 0.000 1.023 47 H CB 0.468 30.150 29.762 -0.133 0.000 1.669 47 H HN 0.441 nan 8.280 nan 0.000 0.573 48 V N -1.735 118.129 119.914 -0.083 0.000 2.823 48 V HA 0.649 4.769 4.120 -0.000 0.000 0.312 48 V C -1.376 174.780 176.094 0.104 0.000 1.072 48 V CA -0.949 61.342 62.300 -0.015 0.000 0.937 48 V CB 2.145 34.027 31.823 0.097 0.000 1.013 48 V HN 0.404 nan 8.190 nan 0.000 0.430 49 W N 1.275 122.585 121.300 0.018 0.000 3.066 49 W HA 0.828 5.488 4.660 -0.000 0.000 0.330 49 W C -0.307 176.227 176.519 0.025 0.000 1.253 49 W CA -1.755 55.602 57.345 0.021 0.000 1.187 49 W CB 0.889 30.357 29.460 0.014 0.000 1.434 49 W HN 1.035 nan 8.180 nan 0.000 0.572 50 G N 3.513 112.428 108.800 0.192 0.000 2.857 50 G HA2 0.333 4.293 3.960 -0.000 0.000 0.326 50 G HA3 0.333 4.293 3.960 -0.000 0.000 0.326 50 G C -0.354 174.431 174.900 -0.191 0.000 0.950 50 G CA -0.625 44.489 45.100 0.023 0.000 1.400 50 G HN 0.579 nan 8.290 nan 0.000 0.473 51 N N 0.982 119.486 118.700 -0.326 0.000 2.515 51 N HA 0.232 4.972 4.740 -0.000 0.000 0.279 51 N C -0.345 174.980 175.510 -0.308 0.000 1.164 51 N CA -0.645 52.080 53.050 -0.543 0.000 0.982 51 N CB 1.903 39.935 38.487 -0.758 0.000 1.170 51 N HN -0.028 nan 8.380 nan 0.000 0.474 52 V N 1.320 121.030 119.914 -0.340 0.000 2.455 52 V HA 0.094 4.214 4.120 -0.000 0.000 0.273 52 V C 0.527 176.532 176.094 -0.149 0.000 1.045 52 V CA -0.334 61.798 62.300 -0.281 0.000 0.976 52 V CB 0.042 31.575 31.823 -0.484 0.000 0.993 52 V HN 0.602 nan 8.190 nan 0.000 0.475 53 K N 5.756 126.100 120.400 -0.093 0.000 2.319 53 K HA 0.583 4.903 4.320 -0.000 0.000 0.237 53 K C -0.973 175.618 176.600 -0.015 0.000 1.113 53 K CA -0.224 56.042 56.287 -0.034 0.000 1.072 53 K CB 0.488 32.979 32.500 -0.016 0.000 1.734 53 K HN 0.421 nan 8.250 nan 0.000 0.429 54 L N 0.973 122.196 121.223 0.000 0.000 2.641 54 L HA 0.260 4.600 4.340 -0.000 0.000 0.261 54 L C -1.879 175.018 176.870 0.044 0.000 0.926 54 L CA -0.546 54.307 54.840 0.022 0.000 0.917 54 L CB 1.914 43.986 42.059 0.022 0.000 1.361 54 L HN 0.217 nan 8.230 nan 0.000 0.417 55 D N 2.144 122.568 120.400 0.039 0.000 2.336 55 D HA 0.229 4.869 4.640 -0.000 0.000 0.249 55 D C 0.967 177.293 176.300 0.043 0.000 1.213 55 D CA 0.475 54.499 54.000 0.040 0.000 0.870 55 D CB 1.364 42.182 40.800 0.031 0.000 1.076 55 D HN 0.689 nan 8.370 nan 0.000 0.483 56 T N -0.056 114.528 114.554 0.050 0.000 3.129 56 T HA 0.016 4.366 4.350 -0.000 0.000 0.251 56 T C 0.804 175.510 174.700 0.010 0.000 1.117 56 T CA -0.277 61.849 62.100 0.044 0.000 1.034 56 T CB -0.468 68.434 68.868 0.057 0.000 0.968 56 T HN 0.265 nan 8.240 nan 0.000 0.526 57 T N 2.670 117.227 114.554 0.005 0.000 2.822 57 T HA 0.370 4.720 4.350 -0.000 0.000 0.288 57 T C 1.547 176.239 174.700 -0.014 0.000 0.991 57 T CA 0.916 63.009 62.100 -0.011 0.000 1.176 57 T CB -0.177 68.689 68.868 -0.004 0.000 0.951 57 T HN 0.762 nan 8.240 nan 0.000 0.526 58 G N 2.809 111.590 108.800 -0.032 0.000 2.168 58 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.263 58 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.263 58 G C 0.865 175.752 174.900 -0.022 0.000 0.977 58 G CA 0.381 45.461 45.100 -0.032 0.000 0.659 58 G HN 0.705 nan 8.290 nan 0.000 0.533 59 L N -0.581 120.634 121.223 -0.014 0.000 2.291 59 L HA 0.309 4.649 4.340 -0.000 0.000 0.214 59 L C 1.301 178.173 176.870 0.003 0.000 1.120 59 L CA 0.800 55.650 54.840 0.017 0.000 0.799 59 L CB -0.083 42.005 42.059 0.049 0.000 0.925 59 L HN 0.317 nan 8.230 nan 0.000 0.446 60 I N -1.174 119.343 120.570 -0.088 0.000 2.545 60 I HA 0.216 4.386 4.170 -0.000 0.000 0.292 60 I C -0.749 175.257 176.117 -0.185 0.000 1.040 60 I CA -1.050 60.124 61.300 -0.209 0.000 1.068 60 I CB 1.967 39.684 38.000 -0.472 0.000 1.251 60 I HN -0.195 nan 8.210 nan 0.000 0.424 61 D N 2.833 123.133 120.400 -0.167 0.000 2.488 61 D HA -0.030 4.610 4.640 -0.000 0.000 0.238 61 D C 1.346 177.552 176.300 -0.157 0.000 1.138 61 D CA 0.112 54.037 54.000 -0.125 0.000 0.873 61 D CB 0.990 41.736 40.800 -0.091 0.000 1.183 61 D HN 0.356 nan 8.370 nan 0.000 0.458 62 R N 2.188 122.609 120.500 -0.131 0.000 2.113 62 R HA -0.200 4.140 4.340 -0.000 0.000 0.244 62 R C 2.011 178.195 176.300 -0.193 0.000 1.142 62 R CA 1.921 57.927 56.100 -0.157 0.000 0.953 62 R CB -0.693 29.534 30.300 -0.121 0.000 0.860 62 R HN 0.380 nan 8.270 nan 0.000 0.438 63 K N -0.629 119.689 120.400 -0.137 0.000 2.365 63 K HA 0.135 4.455 4.320 -0.000 0.000 0.199 63 K C 2.050 178.619 176.600 -0.052 0.000 1.045 63 K CA 1.107 57.329 56.287 -0.109 0.000 0.962 63 K CB -0.330 32.152 32.500 -0.029 0.000 0.759 63 K HN 0.462 nan 8.250 nan 0.000 0.469 64 V N -0.893 118.962 119.914 -0.098 0.000 2.575 64 V HA 0.026 4.146 4.120 -0.000 0.000 0.242 64 V C 2.014 178.020 176.094 -0.147 0.000 1.045 64 V CA 1.110 63.363 62.300 -0.079 0.000 1.065 64 V CB 0.242 31.929 31.823 -0.226 0.000 0.717 64 V HN 0.264 nan 8.190 nan 0.000 0.467 65 V N 2.270 122.020 119.914 -0.273 0.000 2.809 65 V HA -0.152 3.968 4.120 -0.000 0.000 0.256 65 V C 2.753 178.632 176.094 -0.357 0.000 1.080 65 V CA 1.851 63.964 62.300 -0.311 0.000 1.102 65 V CB -0.611 31.031 31.823 -0.301 0.000 0.705 65 V HN 0.694 nan 8.190 nan 0.000 0.475 66 R N -0.896 119.307 120.500 -0.496 0.000 2.200 66 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 66 R C 1.733 177.437 176.300 -0.995 0.000 1.127 66 R CA 2.070 57.654 56.100 -0.861 0.000 0.989 66 R CB -0.718 28.851 30.300 -1.218 0.000 0.869 66 R HN 0.499 nan 8.270 nan 0.000 0.459 67 F N 0.781 120.458 119.950 -0.455 0.000 2.776 67 F HA 0.341 4.868 4.527 -0.000 0.000 0.300 67 F C 0.962 176.602 175.800 -0.266 0.000 1.116 67 F CA 0.009 57.843 58.000 -0.277 0.000 1.375 67 F CB 0.178 39.091 39.000 -0.146 0.000 1.109 67 F HN -0.117 nan 8.300 nan 0.000 0.585 68 M N 0.049 119.541 119.600 -0.179 0.000 2.363 68 M HA 0.299 4.778 4.480 -0.000 0.000 0.343 68 M C 0.470 176.589 176.300 -0.302 0.000 1.165 68 M CA -0.619 54.567 55.300 -0.190 0.000 1.046 68 M CB 1.675 34.163 32.600 -0.188 0.000 1.648 68 M HN 0.009 nan 8.290 nan 0.000 0.452 69 S N 0.310 115.872 115.700 -0.230 0.000 2.713 69 S HA 0.290 4.760 4.470 -0.000 0.000 0.277 69 S C 0.390 174.904 174.600 -0.142 0.000 1.168 69 S CA -0.727 57.384 58.200 -0.149 0.000 0.994 69 S CB 0.917 64.118 63.200 0.000 0.000 1.054 69 S HN 0.661 nan 8.310 nan 0.000 0.555 70 D N 0.924 121.243 120.400 -0.135 0.000 2.144 70 D HA -0.005 4.634 4.640 -0.000 0.000 0.199 70 D C 2.186 178.148 176.300 -0.564 0.000 0.984 70 D CA 1.649 55.384 54.000 -0.442 0.000 0.834 70 D CB -0.878 39.676 40.800 -0.409 0.000 0.955 70 D HN 0.664 nan 8.370 nan 0.000 0.465 71 A N 0.412 123.113 122.820 -0.199 0.000 1.908 71 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 71 A C 2.453 180.025 177.584 -0.019 0.000 1.181 71 A CA 1.992 54.008 52.037 -0.035 0.000 0.627 71 A CB -0.594 18.432 19.000 0.043 0.000 0.818 71 A HN 0.175 nan 8.150 nan 0.000 0.445 72 S N -0.414 115.259 115.700 -0.045 0.000 2.387 72 S HA -0.044 4.426 4.470 -0.000 0.000 0.226 72 S C 1.799 176.414 174.600 0.023 0.000 1.026 72 S CA 1.180 59.387 58.200 0.013 0.000 0.972 72 S CB -0.465 62.730 63.200 -0.008 0.000 0.814 72 S HN 0.535 nan 8.310 nan 0.000 0.477 73 I N 0.558 121.057 120.570 -0.120 0.000 2.118 73 I HA -0.253 3.917 4.170 -0.000 0.000 0.241 73 I C 2.065 178.235 176.117 0.088 0.000 1.070 73 I CA 1.497 62.734 61.300 -0.104 0.000 1.327 73 I CB -0.503 37.339 38.000 -0.263 0.000 1.034 73 I HN 0.283 nan 8.210 nan 0.000 0.405 74 Y N 0.777 121.120 120.300 0.071 0.000 2.200 74 Y HA -0.144 4.406 4.550 -0.000 0.000 0.290 74 Y C 2.663 178.609 175.900 0.077 0.000 1.137 74 Y CA 0.688 58.825 58.100 0.061 0.000 1.163 74 Y CB -1.344 37.130 38.460 0.024 0.000 0.988 74 Y HN 0.122 nan 8.280 nan 0.000 0.518 75 A N -0.400 122.561 122.820 0.235 0.000 1.930 75 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 75 A C 2.182 179.863 177.584 0.160 0.000 1.175 75 A CA 1.374 53.501 52.037 0.150 0.000 0.627 75 A CB -1.304 17.767 19.000 0.117 0.000 0.815 75 A HN 0.428 nan 8.150 nan 0.000 0.443 76 F N 0.671 120.676 119.950 0.092 0.000 2.102 76 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 76 F C 1.894 177.785 175.800 0.151 0.000 1.105 76 F CA 1.732 59.829 58.000 0.162 0.000 1.239 76 F CB -0.276 38.797 39.000 0.121 0.000 0.991 76 F HN 0.137 nan 8.300 nan 0.000 0.474 77 L N -0.630 120.825 121.223 0.387 0.000 2.046 77 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 77 L C 2.528 179.441 176.870 0.072 0.000 1.077 77 L CA 1.462 56.445 54.840 0.238 0.000 0.747 77 L CB -1.031 41.172 42.059 0.239 0.000 0.896 77 L HN 0.077 nan 8.230 nan 0.000 0.432 78 S N -0.374 115.359 115.700 0.056 0.000 2.382 78 S HA -0.228 4.242 4.470 -0.000 0.000 0.228 78 S C 1.936 176.469 174.600 -0.112 0.000 1.027 78 S CA 1.655 59.845 58.200 -0.016 0.000 0.991 78 S CB -0.247 62.950 63.200 -0.006 0.000 0.823 78 S HN 0.357 nan 8.310 nan 0.000 0.469 79 M N 1.493 120.966 119.600 -0.211 0.000 2.132 79 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 79 M C 1.964 177.951 176.300 -0.522 0.000 1.065 79 M CA 1.470 56.481 55.300 -0.482 0.000 1.122 79 M CB -0.184 31.927 32.600 -0.815 0.000 1.365 79 M HN 0.232 nan 8.290 nan 0.000 0.411 80 E N -0.140 119.851 120.200 -0.348 0.000 2.070 80 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 80 E C 2.059 178.591 176.600 -0.115 0.000 1.004 80 E CA 1.871 58.166 56.400 -0.175 0.000 0.805 80 E CB -0.250 29.427 29.700 -0.038 0.000 0.744 80 E HN 0.677 nan 8.360 nan 0.000 0.451 81 Q N 0.027 119.782 119.800 -0.075 0.000 2.061 81 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 81 Q C 2.228 178.204 176.000 -0.040 0.000 0.984 81 Q CA 1.460 57.243 55.803 -0.033 0.000 0.846 81 Q CB -0.197 28.532 28.738 -0.014 0.000 0.902 81 Q HN 0.249 nan 8.270 nan 0.000 0.421 82 A N 0.641 123.414 122.820 -0.078 0.000 1.930 82 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 82 A C 2.016 179.588 177.584 -0.019 0.000 1.175 82 A CA 1.023 53.038 52.037 -0.037 0.000 0.627 82 A CB -0.550 18.427 19.000 -0.037 0.000 0.815 82 A HN 0.300 nan 8.150 nan 0.000 0.443 83 I N -0.266 120.233 120.570 -0.118 0.000 2.179 83 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 83 I C 2.983 179.087 176.117 -0.022 0.000 1.088 83 I CA 1.118 62.345 61.300 -0.123 0.000 1.357 83 I CB -0.291 37.492 38.000 -0.363 0.000 1.051 83 I HN 0.356 nan 8.210 nan 0.000 0.409 84 A N 0.135 122.947 122.820 -0.013 0.000 1.902 84 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 84 A C 1.999 179.606 177.584 0.039 0.000 1.181 84 A CA 2.332 54.383 52.037 0.024 0.000 0.623 84 A CB -0.721 18.293 19.000 0.024 0.000 0.818 84 A HN 0.440 nan 8.150 nan 0.000 0.443 85 D N -0.263 120.165 120.400 0.047 0.000 2.144 85 D HA 0.007 4.647 4.640 -0.000 0.000 0.199 85 D C 1.827 178.186 176.300 0.098 0.000 0.984 85 D CA 1.402 55.452 54.000 0.085 0.000 0.834 85 D CB -0.167 40.707 40.800 0.124 0.000 0.955 85 D HN 0.340 nan 8.370 nan 0.000 0.465 86 A N -0.705 122.166 122.820 0.085 0.000 2.208 86 A HA 0.388 4.708 4.320 -0.000 0.000 0.209 86 A C 1.727 179.351 177.584 0.066 0.000 1.161 86 A CA 0.956 53.041 52.037 0.079 0.000 0.782 86 A CB -0.621 18.410 19.000 0.052 0.000 0.816 86 A HN 0.414 nan 8.150 nan 0.000 0.477 87 G N -0.698 108.139 108.800 0.061 0.000 2.273 87 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.280 87 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.280 87 G C -0.105 174.845 174.900 0.084 0.000 1.047 87 G CA 0.419 45.556 45.100 0.061 0.000 0.869 87 G HN 0.478 nan 8.290 nan 0.000 0.502 88 L N 1.690 122.980 121.223 0.111 0.000 2.257 88 L HA 0.490 4.830 4.340 -0.000 0.000 0.290 88 L C 1.250 178.277 176.870 0.262 0.000 1.044 88 L CA -0.318 54.636 54.840 0.191 0.000 0.810 88 L CB 1.443 43.637 42.059 0.226 0.000 1.193 88 L HN 0.428 nan 8.230 nan 0.000 0.425 89 S N 2.759 118.585 115.700 0.210 0.000 2.593 89 S HA 0.288 4.758 4.470 -0.000 0.000 0.269 89 S C -1.856 172.845 174.600 0.168 0.000 1.334 89 S CA -1.093 57.209 58.200 0.170 0.000 1.015 89 S CB 0.994 64.244 63.200 0.082 0.000 0.912 89 S HN 0.371 nan 8.310 nan 0.000 0.541 90 P HA -0.127 nan 4.420 nan 0.000 0.216 90 P C 1.022 178.121 177.300 -0.336 0.000 1.153 90 P CA 1.404 64.335 63.100 -0.282 0.000 0.858 90 P CB -0.050 31.572 31.700 -0.130 0.000 0.789 91 E N -0.661 119.459 120.200 -0.133 0.000 2.204 91 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 91 E C 2.051 178.613 176.600 -0.064 0.000 0.990 91 E CA 1.393 57.735 56.400 -0.097 0.000 0.821 91 E CB -1.010 28.666 29.700 -0.041 0.000 0.750 91 E HN 0.205 nan 8.360 nan 0.000 0.477 92 A N 0.075 122.895 122.820 0.001 0.000 1.929 92 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 92 A C 1.851 179.522 177.584 0.145 0.000 1.176 92 A CA 1.487 53.581 52.037 0.095 0.000 0.628 92 A CB -0.438 18.661 19.000 0.166 0.000 0.816 92 A HN 0.526 nan 8.150 nan 0.000 0.444 93 Y N -1.906 118.443 120.300 0.081 0.000 2.430 93 Y HA 0.447 4.997 4.550 -0.000 0.000 0.254 93 Y C 0.669 176.610 175.900 0.068 0.000 1.088 93 Y CA -0.647 57.520 58.100 0.113 0.000 1.267 93 Y CB -0.167 38.437 38.460 0.239 0.000 1.204 93 Y HN 0.185 nan 8.280 nan 0.000 0.515 94 Q N 2.021 121.485 119.800 -0.559 0.000 2.306 94 Q HA 0.188 4.528 4.340 -0.000 0.000 0.241 94 Q C -0.234 175.578 176.000 -0.313 0.000 0.948 94 Q CA -0.406 55.150 55.803 -0.410 0.000 0.886 94 Q CB 0.394 28.840 28.738 -0.487 0.000 1.227 94 Q HN 0.332 nan 8.270 nan 0.000 0.457 95 N N 1.876 120.285 118.700 -0.485 0.000 2.716 95 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 95 N C -1.193 174.072 175.510 -0.408 0.000 1.033 95 N CA 0.772 53.318 53.050 -0.841 0.000 0.727 95 N CB -1.087 37.147 38.487 -0.422 0.000 0.950 95 N HN 0.565 nan 8.380 nan 0.000 0.541 96 N N -0.076 118.484 118.700 -0.233 0.000 2.531 96 N HA 0.334 5.074 4.740 -0.000 0.000 0.268 96 N C -2.082 173.479 175.510 0.085 0.000 1.023 96 N CA -1.874 51.167 53.050 -0.016 0.000 0.896 96 N CB 1.607 40.098 38.487 0.007 0.000 1.233 96 N HN -0.194 nan 8.380 nan 0.000 0.512 97 P HA -0.001 nan 4.420 nan 0.000 0.223 97 P C 0.699 178.039 177.300 0.066 0.000 1.144 97 P CA 0.839 64.013 63.100 0.123 0.000 0.783 97 P CB 0.384 32.141 31.700 0.095 0.000 0.771 98 R N -1.007 119.517 120.500 0.041 0.000 2.334 98 R HA 0.190 4.530 4.340 -0.000 0.000 0.220 98 R C -0.064 176.215 176.300 -0.035 0.000 0.917 98 R CA 0.104 56.201 56.100 -0.005 0.000 1.073 98 R CB -0.057 30.230 30.300 -0.020 0.000 1.056 98 R HN 0.141 nan 8.270 nan 0.000 0.506 99 V N 0.198 120.122 119.914 0.016 0.000 2.444 99 V HA 0.625 4.745 4.120 -0.000 0.000 0.294 99 V C 0.432 176.571 176.094 0.074 0.000 1.022 99 V CA -0.794 61.522 62.300 0.026 0.000 0.850 99 V CB 1.771 33.666 31.823 0.120 0.000 0.992 99 V HN 0.278 nan 8.190 nan 0.000 0.426 100 G N 3.193 112.010 108.800 0.029 0.000 3.042 100 G HA2 0.812 4.772 3.960 -0.000 0.000 0.278 100 G HA3 0.812 4.772 3.960 -0.000 0.000 0.278 100 G C -1.792 173.158 174.900 0.083 0.000 1.371 100 G CA -0.754 44.363 45.100 0.030 0.000 1.009 100 G HN 0.703 nan 8.290 nan 0.000 0.523 101 L N -0.435 120.784 121.223 -0.005 0.000 2.516 101 L HA 0.709 5.049 4.340 -0.000 0.000 0.267 101 L C -1.526 175.265 176.870 -0.131 0.000 0.957 101 L CA -0.486 54.357 54.840 0.005 0.000 0.860 101 L CB 1.661 43.741 42.059 0.034 0.000 1.265 101 L HN 0.435 nan 8.230 nan 0.000 0.403 102 I N 5.343 125.846 120.570 -0.112 0.000 2.476 102 I HA 0.822 4.992 4.170 -0.000 0.000 0.281 102 I C -0.484 175.617 176.117 -0.027 0.000 1.040 102 I CA -0.399 60.817 61.300 -0.140 0.000 1.094 102 I CB 1.689 39.588 38.000 -0.168 0.000 1.219 102 I HN 0.816 nan 8.210 nan 0.000 0.450 103 A N 4.315 127.143 122.820 0.014 0.000 2.547 103 A HA 0.945 5.265 4.320 -0.000 0.000 0.297 103 A C -0.668 176.955 177.584 0.066 0.000 1.056 103 A CA -0.431 51.627 52.037 0.035 0.000 0.688 103 A CB 1.822 20.835 19.000 0.023 0.000 1.282 103 A HN 0.745 nan 8.150 nan 0.000 0.400 104 G N -0.166 108.677 108.800 0.072 0.000 2.866 104 G HA2 0.838 4.798 3.960 -0.000 0.000 0.289 104 G HA3 0.838 4.798 3.960 -0.000 0.000 0.289 104 G C -0.553 174.396 174.900 0.082 0.000 1.396 104 G CA 0.104 45.256 45.100 0.087 0.000 0.848 104 G HN 1.892 nan 8.290 nan 0.000 0.515 105 S N -1.901 113.851 115.700 0.088 0.000 2.595 105 S HA 0.655 5.125 4.470 -0.000 0.000 0.281 105 S C 0.952 175.611 174.600 0.098 0.000 1.117 105 S CA 0.242 58.495 58.200 0.088 0.000 0.873 105 S CB 1.590 64.841 63.200 0.085 0.000 1.108 105 S HN 1.432 nan 8.310 nan 0.000 0.477 106 G N 0.370 109.231 108.800 0.101 0.000 2.408 106 G HA2 0.270 4.230 3.960 -0.000 0.000 0.215 106 G HA3 0.270 4.230 3.960 -0.000 0.000 0.215 106 G C 0.967 175.948 174.900 0.136 0.000 1.156 106 G CA 0.503 45.678 45.100 0.125 0.000 0.793 106 G HN 1.141 nan 8.290 nan 0.000 0.535 107 G N -1.125 107.752 108.800 0.128 0.000 2.944 107 G HA2 0.441 4.401 3.960 -0.000 0.000 0.220 107 G HA3 0.441 4.401 3.960 -0.000 0.000 0.220 107 G C 1.101 176.060 174.900 0.098 0.000 1.100 107 G CA 0.848 46.022 45.100 0.125 0.000 0.780 107 G HN 1.179 nan 8.290 nan 0.000 0.539 108 G N 0.133 108.988 108.800 0.092 0.000 2.536 108 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.277 108 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.277 108 G C 0.317 175.271 174.900 0.091 0.000 1.155 108 G CA 0.593 45.744 45.100 0.085 0.000 0.960 108 G HN 1.315 nan 8.290 nan 0.000 0.544 109 S N 1.777 117.539 115.700 0.104 0.000 2.389 109 S HA 0.652 5.122 4.470 -0.000 0.000 0.201 109 S C -1.159 173.501 174.600 0.100 0.000 1.422 109 S CA -0.091 58.187 58.200 0.128 0.000 1.216 109 S CB 1.711 65.051 63.200 0.233 0.000 1.130 109 S HN 0.304 nan 8.310 nan 0.000 0.465 110 P HA -0.148 nan 4.420 nan 0.000 0.216 110 P C 1.517 178.768 177.300 -0.082 0.000 1.150 110 P CA 0.842 63.930 63.100 -0.020 0.000 0.843 110 P CB 0.115 31.785 31.700 -0.051 0.000 0.787 111 R N -0.980 119.444 120.500 -0.126 0.000 2.083 111 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 111 R C 1.913 178.047 176.300 -0.276 0.000 1.137 111 R CA 1.747 57.684 56.100 -0.272 0.000 0.951 111 R CB -0.915 29.180 30.300 -0.342 0.000 0.851 111 R HN 0.092 nan 8.270 nan 0.000 0.434 112 F N 0.892 120.860 119.950 0.030 0.000 2.367 112 F HA 0.036 4.562 4.527 -0.000 0.000 0.298 112 F C 2.417 178.305 175.800 0.147 0.000 1.094 112 F CA 0.878 58.946 58.000 0.112 0.000 1.409 112 F CB -0.122 38.913 39.000 0.058 0.000 1.064 112 F HN 0.107 nan 8.300 nan 0.000 0.528 113 Q N -0.205 119.715 119.800 0.200 0.000 2.061 113 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 113 Q C 2.370 178.421 176.000 0.085 0.000 0.984 113 Q CA 1.854 57.733 55.803 0.126 0.000 0.846 113 Q CB -0.482 28.299 28.738 0.072 0.000 0.902 113 Q HN 0.269 nan 8.270 nan 0.000 0.421 114 V N 0.423 120.360 119.914 0.038 0.000 2.379 114 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 114 V C 1.885 178.003 176.094 0.040 0.000 1.044 114 V CA 1.589 63.894 62.300 0.009 0.000 1.036 114 V CB -0.615 31.170 31.823 -0.065 0.000 0.664 114 V HN 0.326 nan 8.190 nan 0.000 0.453 115 F N 2.245 122.151 119.950 -0.073 0.000 2.091 115 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 115 F C 2.180 178.005 175.800 0.041 0.000 1.103 115 F CA 1.906 59.881 58.000 -0.042 0.000 1.228 115 F CB -0.960 37.972 39.000 -0.114 0.000 0.984 115 F HN 0.140 nan 8.300 nan 0.000 0.477 116 G N -0.318 108.500 108.800 0.030 0.000 2.446 116 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 116 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 116 G C 1.809 176.626 174.900 -0.138 0.000 1.168 116 G CA 1.060 46.122 45.100 -0.063 0.000 0.771 116 G HN 0.665 nan 8.290 nan 0.000 0.551 117 A N 0.711 123.490 122.820 -0.068 0.000 1.930 117 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 117 A C 2.111 179.642 177.584 -0.088 0.000 1.175 117 A CA 2.082 54.086 52.037 -0.055 0.000 0.627 117 A CB -0.341 18.650 19.000 -0.015 0.000 0.815 117 A HN 0.281 nan 8.150 nan 0.000 0.443 118 D N 0.155 120.484 120.400 -0.119 0.000 2.097 118 D HA -0.022 4.618 4.640 -0.000 0.000 0.197 118 D C 2.292 178.485 176.300 -0.177 0.000 0.984 118 D CA 1.563 55.496 54.000 -0.112 0.000 0.826 118 D CB -0.512 40.240 40.800 -0.080 0.000 0.973 118 D HN 0.382 nan 8.370 nan 0.000 0.460 119 A N 0.725 123.335 122.820 -0.350 0.000 1.908 119 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 119 A C 2.152 179.624 177.584 -0.187 0.000 1.181 119 A CA 1.975 53.800 52.037 -0.354 0.000 0.627 119 A CB -0.599 18.015 19.000 -0.644 0.000 0.818 119 A HN 0.188 nan 8.150 nan 0.000 0.445 120 M N -0.314 119.192 119.600 -0.156 0.000 2.213 120 M HA -0.055 4.425 4.480 -0.000 0.000 0.263 120 M C 1.774 178.037 176.300 -0.062 0.000 1.062 120 M CA 1.459 56.706 55.300 -0.088 0.000 1.105 120 M CB -0.371 32.191 32.600 -0.065 0.000 1.385 120 M HN 0.359 nan 8.290 nan 0.000 0.417 121 R N -0.275 120.187 120.500 -0.063 0.000 2.310 121 R HA 0.236 4.575 4.340 -0.000 0.000 0.202 121 R C 0.987 177.266 176.300 -0.036 0.000 0.933 121 R CA 0.279 56.355 56.100 -0.040 0.000 1.054 121 R CB -0.147 30.134 30.300 -0.032 0.000 0.985 121 R HN 0.457 nan 8.270 nan 0.000 0.489 122 G N 0.781 109.553 108.800 -0.047 0.000 2.642 122 G HA2 0.187 4.147 3.960 -0.000 0.000 0.291 122 G HA3 0.187 4.147 3.960 -0.000 0.000 0.291 122 G C -1.716 173.168 174.900 -0.026 0.000 1.345 122 G CA -0.904 44.175 45.100 -0.034 0.000 1.043 122 G HN -0.101 nan 8.290 nan 0.000 0.528 123 P HA 0.054 nan 4.420 nan 0.000 0.233 123 P C 0.950 178.243 177.300 -0.010 0.000 1.167 123 P CA 0.593 63.687 63.100 -0.011 0.000 0.770 123 P CB 0.438 32.136 31.700 -0.004 0.000 0.837 124 R N -1.069 119.423 120.500 -0.014 0.000 2.404 124 R HA 0.276 4.616 4.340 -0.000 0.000 0.237 124 R C 1.540 177.829 176.300 -0.019 0.000 0.907 124 R CA 0.456 56.550 56.100 -0.011 0.000 1.063 124 R CB 0.036 30.335 30.300 -0.002 0.000 1.134 124 R HN 0.108 nan 8.270 nan 0.000 0.529 125 G N 2.238 111.020 108.800 -0.031 0.000 2.651 125 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.315 125 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.315 125 G C 0.827 175.705 174.900 -0.037 0.000 1.258 125 G CA 0.575 45.654 45.100 -0.035 0.000 1.002 125 G HN 0.200 nan 8.290 nan 0.000 0.551 126 L N 0.767 121.974 121.223 -0.026 0.000 2.187 126 L HA -0.108 4.232 4.340 -0.000 0.000 0.213 126 L C 3.252 180.113 176.870 -0.015 0.000 1.100 126 L CA 2.143 56.970 54.840 -0.022 0.000 0.765 126 L CB -0.619 41.429 42.059 -0.017 0.000 0.904 126 L HN 0.421 nan 8.230 nan 0.000 0.437 127 K N -0.302 120.092 120.400 -0.011 0.000 2.155 127 K HA 0.038 4.357 4.320 -0.000 0.000 0.203 127 K C 2.196 178.808 176.600 0.020 0.000 1.052 127 K CA 0.941 57.228 56.287 0.000 0.000 0.948 127 K CB -0.630 31.871 32.500 0.001 0.000 0.728 127 K HN 0.518 nan 8.250 nan 0.000 0.448 128 A N 0.594 123.419 122.820 0.008 0.000 1.970 128 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 128 A C 2.391 179.998 177.584 0.039 0.000 1.170 128 A CA 1.227 53.278 52.037 0.023 0.000 0.645 128 A CB -0.495 18.481 19.000 -0.040 0.000 0.816 128 A HN 0.216 nan 8.150 nan 0.000 0.447 129 V N -0.452 119.452 119.914 -0.016 0.000 2.270 129 V HA 0.182 4.301 4.120 -0.000 0.000 0.245 129 V C 1.704 177.903 176.094 0.174 0.000 1.043 129 V CA 1.213 63.528 62.300 0.024 0.000 1.014 129 V CB -1.919 29.898 31.823 -0.011 0.000 0.645 129 V HN 1.202 nan 8.190 nan 0.000 0.447 130 G N 0.511 109.354 108.800 0.070 0.000 2.828 130 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.463 130 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.463 130 G C -1.628 173.218 174.900 -0.090 0.000 1.394 130 G CA -0.050 45.053 45.100 0.005 0.000 0.862 130 G HN 0.337 nan 8.290 nan 0.000 0.540 131 P HA 0.213 nan 4.420 nan 0.000 0.255 131 P C 0.358 177.409 177.300 -0.414 0.000 1.248 131 P CA 0.802 63.658 63.100 -0.406 0.000 0.807 131 P CB 0.067 31.420 31.700 -0.579 0.000 1.150 132 Y N -1.464 118.831 120.300 -0.008 0.000 2.467 132 Y HA 0.118 4.667 4.550 -0.000 0.000 0.250 132 Y C 2.219 178.101 175.900 -0.031 0.000 1.155 132 Y CA -0.220 57.849 58.100 -0.052 0.000 1.249 132 Y CB -0.512 37.816 38.460 -0.221 0.000 1.146 132 Y HN -0.279 nan 8.280 nan 0.000 0.524 133 V N -1.155 118.843 119.914 0.141 0.000 2.427 133 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 133 V C 2.120 178.284 176.094 0.117 0.000 1.051 133 V CA 1.544 63.937 62.300 0.154 0.000 1.048 133 V CB -0.711 31.268 31.823 0.260 0.000 0.666 133 V HN 0.222 nan 8.190 nan 0.000 0.456 134 V N 1.242 121.220 119.914 0.106 0.000 2.332 134 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 134 V C 2.796 178.941 176.094 0.084 0.000 1.055 134 V CA 2.643 64.997 62.300 0.089 0.000 1.038 134 V CB -1.414 30.453 31.823 0.074 0.000 0.651 134 V HN 0.817 nan 8.190 nan 0.000 0.450 135 T N -1.947 112.672 114.554 0.109 0.000 2.951 135 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 135 T C 1.741 176.463 174.700 0.036 0.000 1.073 135 T CA 1.170 63.326 62.100 0.092 0.000 1.134 135 T CB -0.237 68.735 68.868 0.173 0.000 0.884 135 T HN 0.484 nan 8.240 nan 0.000 0.479 136 K N 1.217 121.605 120.400 -0.020 0.000 2.076 136 K HA 0.307 4.627 4.320 -0.000 0.000 0.204 136 K C 2.627 179.242 176.600 0.026 0.000 1.051 136 K CA 1.052 57.267 56.287 -0.121 0.000 0.949 136 K CB -0.167 32.037 32.500 -0.493 0.000 0.726 136 K HN 0.423 nan 8.250 nan 0.000 0.443 137 A N 1.758 124.629 122.820 0.085 0.000 2.095 137 A HA 0.101 4.421 4.320 -0.000 0.000 0.212 137 A C 1.228 178.867 177.584 0.091 0.000 1.162 137 A CA -0.144 51.969 52.037 0.127 0.000 0.753 137 A CB -0.323 18.772 19.000 0.159 0.000 0.840 137 A HN 0.312 nan 8.150 nan 0.000 0.468 138 M N -1.731 117.913 119.600 0.073 0.000 2.245 138 M HA 0.538 5.018 4.480 -0.000 0.000 0.330 138 M C 0.932 177.270 176.300 0.063 0.000 1.098 138 M CA 0.398 55.735 55.300 0.063 0.000 1.172 138 M CB 0.680 33.312 32.600 0.055 0.000 1.467 138 M HN 0.028 nan 8.290 nan 0.000 0.454 139 A N 1.633 124.489 122.820 0.060 0.000 2.019 139 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 139 A C 1.979 179.604 177.584 0.068 0.000 1.164 139 A CA 1.821 53.896 52.037 0.064 0.000 0.644 139 A CB -0.930 18.105 19.000 0.058 0.000 0.805 139 A HN 0.999 nan 8.150 nan 0.000 0.449 140 S N -1.085 114.654 115.700 0.065 0.000 2.597 140 S HA 0.305 4.775 4.470 -0.000 0.000 0.224 140 S C 1.650 176.288 174.600 0.063 0.000 0.955 140 S CA 0.576 58.820 58.200 0.073 0.000 0.933 140 S CB -0.269 62.977 63.200 0.076 0.000 0.788 140 S HN 0.563 nan 8.310 nan 0.000 0.488 141 G N 2.299 111.133 108.800 0.056 0.000 2.513 141 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 141 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 141 G C 1.301 176.229 174.900 0.047 0.000 1.160 141 G CA 1.347 46.474 45.100 0.045 0.000 0.767 141 G HN 0.483 nan 8.290 nan 0.000 0.571 142 V N 1.740 121.689 119.914 0.058 0.000 2.343 142 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 142 V C 3.279 179.416 176.094 0.072 0.000 1.051 142 V CA 2.483 64.823 62.300 0.067 0.000 1.036 142 V CB -0.536 31.329 31.823 0.071 0.000 0.654 142 V HN 0.646 nan 8.190 nan 0.000 0.451 143 S N 1.034 116.775 115.700 0.067 0.000 2.357 143 S HA -0.103 4.367 4.470 -0.000 0.000 0.221 143 S C 2.172 176.807 174.600 0.058 0.000 1.031 143 S CA 1.189 59.425 58.200 0.061 0.000 0.982 143 S CB -0.659 62.579 63.200 0.064 0.000 0.853 143 S HN 0.554 nan 8.310 nan 0.000 0.458 144 A N 0.987 123.835 122.820 0.047 0.000 1.883 144 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 144 A C 2.434 180.020 177.584 0.003 0.000 1.186 144 A CA 1.723 53.770 52.037 0.018 0.000 0.624 144 A CB -1.564 17.438 19.000 0.004 0.000 0.822 144 A HN 0.709 nan 8.150 nan 0.000 0.444 145 C N -1.346 117.968 119.300 0.023 0.000 2.472 145 C HA 0.152 4.612 4.460 -0.000 0.000 0.278 145 C C 2.312 177.370 174.990 0.114 0.000 1.447 145 C CA 0.692 59.726 59.018 0.026 0.000 1.773 145 C CB -1.261 26.499 27.740 0.033 0.000 1.793 145 C HN 0.534 nan 8.230 nan 0.000 0.544 146 L N 0.474 121.798 121.223 0.168 0.000 2.362 146 L HA 0.248 4.588 4.340 -0.000 0.000 0.204 146 L C 2.647 179.681 176.870 0.274 0.000 1.060 146 L CA 1.565 56.591 54.840 0.311 0.000 0.827 146 L CB -1.160 41.053 42.059 0.257 0.000 1.027 146 L HN 0.162 nan 8.230 nan 0.000 0.474 147 A N -0.959 121.950 122.820 0.149 0.000 1.940 147 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 147 A C 2.329 179.987 177.584 0.123 0.000 1.176 147 A CA 2.430 54.546 52.037 0.131 0.000 0.631 147 A CB -0.945 18.104 19.000 0.081 0.000 0.814 147 A HN 0.399 nan 8.150 nan 0.000 0.446 148 T N 0.258 114.850 114.554 0.063 0.000 2.639 148 T HA -0.063 4.287 4.350 -0.000 0.000 0.261 148 T C -0.135 174.574 174.700 0.016 0.000 1.053 148 T CA 1.701 63.809 62.100 0.014 0.000 1.158 148 T CB -0.958 67.862 68.868 -0.081 0.000 0.863 148 T HN 0.486 nan 8.240 nan 0.000 0.413 149 P HA -0.001 nan 4.420 nan 0.000 0.221 149 P C 0.821 178.029 177.300 -0.154 0.000 1.150 149 P CA 1.057 64.102 63.100 -0.091 0.000 0.800 149 P CB -0.249 31.389 31.700 -0.103 0.000 0.787 150 F N 0.639 120.634 119.950 0.075 0.000 2.811 150 F HA 0.172 4.699 4.527 -0.000 0.000 0.301 150 F C 1.087 176.941 175.800 0.091 0.000 1.151 150 F CA 0.186 58.237 58.000 0.085 0.000 1.412 150 F CB -0.621 38.350 39.000 -0.049 0.000 1.113 150 F HN -0.143 nan 8.300 nan 0.000 0.579 151 K N 0.498 120.994 120.400 0.160 0.000 3.096 151 K HA -0.194 4.126 4.320 -0.000 0.000 0.266 151 K C -0.445 176.210 176.600 0.092 0.000 1.043 151 K CA 0.071 56.405 56.287 0.079 0.000 0.758 151 K CB -2.013 30.461 32.500 -0.042 0.000 1.260 151 K HN 0.138 nan 8.250 nan 0.000 0.481 152 I N 1.243 121.927 120.570 0.190 0.000 2.556 152 I HA 0.007 4.176 4.170 -0.000 0.000 0.284 152 I C 1.823 178.115 176.117 0.291 0.000 1.114 152 I CA 0.512 61.935 61.300 0.205 0.000 1.418 152 I CB 0.483 38.592 38.000 0.181 0.000 1.394 152 I HN 0.267 nan 8.210 nan 0.000 0.552 153 H N 3.336 122.449 119.070 0.072 0.000 2.740 153 H HA 0.164 4.720 4.556 -0.000 0.000 0.265 153 H C 1.373 176.721 175.328 0.033 0.000 0.978 153 H CA 0.012 56.086 56.048 0.044 0.000 1.198 153 H CB 1.352 31.135 29.762 0.035 0.000 1.467 153 H HN 0.770 nan 8.280 nan 0.000 0.511 154 G N 1.078 109.969 108.800 0.151 0.000 2.783 154 G HA2 0.216 4.176 3.960 -0.000 0.000 0.182 154 G HA3 0.216 4.176 3.960 -0.000 0.000 0.182 154 G C 0.183 175.101 174.900 0.030 0.000 1.516 154 G CA 0.076 45.219 45.100 0.071 0.000 1.079 154 G HN 0.126 nan 8.290 nan 0.000 0.573 155 V N -0.773 119.128 119.914 -0.021 0.000 2.999 155 V HA 0.435 4.555 4.120 -0.000 0.000 0.307 155 V C -0.201 175.802 176.094 -0.152 0.000 1.084 155 V CA -0.228 62.015 62.300 -0.095 0.000 1.155 155 V CB 1.159 32.860 31.823 -0.204 0.000 0.975 155 V HN 0.767 nan 8.190 nan 0.000 0.490 156 N N 3.176 121.769 118.700 -0.179 0.000 2.699 156 N HA 0.484 5.224 4.740 -0.000 0.000 0.271 156 N C -1.244 174.256 175.510 -0.017 0.000 1.216 156 N CA -0.546 52.438 53.050 -0.109 0.000 0.844 156 N CB 1.129 39.623 38.487 0.012 0.000 1.462 156 N HN 1.021 nan 8.380 nan 0.000 0.555 157 Y N -0.997 119.326 120.300 0.038 0.000 2.814 157 Y HA 0.672 5.222 4.550 -0.000 0.000 0.348 157 Y C -1.276 174.646 175.900 0.036 0.000 1.245 157 Y CA -1.158 56.962 58.100 0.033 0.000 1.086 157 Y CB 0.236 38.711 38.460 0.026 0.000 1.373 157 Y HN 0.102 nan 8.280 nan 0.000 0.451 158 S N 1.152 117.058 115.700 0.342 0.000 2.537 158 S HA 0.772 5.242 4.470 -0.000 0.000 0.301 158 S C -0.788 173.956 174.600 0.240 0.000 1.092 158 S CA -0.726 57.608 58.200 0.224 0.000 1.048 158 S CB 1.007 64.291 63.200 0.139 0.000 1.053 158 S HN 0.527 nan 8.310 nan 0.000 0.501 159 I N 2.432 123.120 120.570 0.197 0.000 2.460 159 I HA 0.464 4.634 4.170 -0.000 0.000 0.298 159 I C -0.011 176.181 176.117 0.124 0.000 0.989 159 I CA -0.454 60.933 61.300 0.145 0.000 1.173 159 I CB 1.939 40.037 38.000 0.164 0.000 1.338 159 I HN 0.650 nan 8.210 nan 0.000 0.456 160 S N 2.462 118.221 115.700 0.098 0.000 2.532 160 S HA 0.672 5.142 4.470 -0.000 0.000 0.299 160 S C -0.270 174.399 174.600 0.114 0.000 1.105 160 S CA -0.497 57.769 58.200 0.109 0.000 1.018 160 S CB 1.686 64.941 63.200 0.093 0.000 1.021 160 S HN 0.688 nan 8.310 nan 0.000 0.483 161 S N 0.880 116.677 115.700 0.162 0.000 2.665 161 S HA 0.630 5.100 4.470 -0.000 0.000 0.226 161 S C 0.668 175.394 174.600 0.211 0.000 0.773 161 S CA -0.118 58.196 58.200 0.190 0.000 1.041 161 S CB -0.615 62.764 63.200 0.298 0.000 1.570 161 S HN 2.314 nan 8.310 nan 0.000 0.470 162 A N 0.887 123.824 122.820 0.195 0.000 5.391 162 A HA -0.350 3.970 4.320 -0.000 0.000 0.315 162 A C 1.724 179.423 177.584 0.193 0.000 1.874 162 A CA 1.295 53.467 52.037 0.225 0.000 0.714 162 A CB -2.313 16.876 19.000 0.316 0.000 1.335 162 A HN 1.562 nan 8.150 nan 0.000 0.382 163 C N 0.134 119.569 119.300 0.226 0.000 2.422 163 C HA 0.309 4.769 4.460 -0.000 0.000 0.286 163 C C 2.745 177.832 174.990 0.162 0.000 1.412 163 C CA 1.302 60.472 59.018 0.254 0.000 1.786 163 C CB -1.983 26.007 27.740 0.416 0.000 1.835 163 C HN 1.518 nan 8.230 nan 0.000 0.533 164 A N 0.223 123.124 122.820 0.136 0.000 2.308 164 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 164 A C 1.928 179.556 177.584 0.074 0.000 1.216 164 A CA 0.887 52.947 52.037 0.037 0.000 0.864 164 A CB -0.631 18.378 19.000 0.015 0.000 0.902 164 A HN 0.458 nan 8.150 nan 0.000 0.499 165 T N 1.386 116.030 114.554 0.149 0.000 2.565 165 T HA -0.242 4.108 4.350 -0.000 0.000 0.265 165 T C 2.242 177.012 174.700 0.117 0.000 1.082 165 T CA 2.600 64.798 62.100 0.164 0.000 1.173 165 T CB -0.433 68.511 68.868 0.127 0.000 0.864 165 T HN 0.789 nan 8.240 nan 0.000 0.425 166 S N 1.223 116.954 115.700 0.053 0.000 2.522 166 S HA 0.312 4.782 4.470 -0.000 0.000 0.227 166 S C 2.245 176.828 174.600 -0.029 0.000 0.986 166 S CA 0.604 58.813 58.200 0.016 0.000 0.929 166 S CB -0.296 62.901 63.200 -0.006 0.000 0.769 166 S HN 0.527 nan 8.310 nan 0.000 0.529 167 A N 2.381 125.165 122.820 -0.059 0.000 1.897 167 A HA -0.066 4.253 4.320 -0.000 0.000 0.215 167 A C 2.103 179.620 177.584 -0.111 0.000 1.181 167 A CA 1.213 53.178 52.037 -0.119 0.000 0.620 167 A CB -0.979 17.921 19.000 -0.166 0.000 0.821 167 A HN 0.618 nan 8.150 nan 0.000 0.443 168 H N -0.690 118.410 119.070 0.051 0.000 2.421 168 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 168 H C 2.381 177.698 175.328 -0.018 0.000 1.087 168 H CA 1.399 57.493 56.048 0.077 0.000 1.330 168 H CB -0.625 29.223 29.762 0.143 0.000 1.388 168 H HN 0.538 nan 8.280 nan 0.000 0.526 169 C N 0.656 120.018 119.300 0.103 0.000 2.413 169 C HA -0.122 4.338 4.460 -0.000 0.000 0.276 169 C C 3.015 177.968 174.990 -0.062 0.000 1.236 169 C CA 0.547 59.590 59.018 0.040 0.000 1.735 169 C CB -1.091 26.669 27.740 0.033 0.000 2.031 169 C HN 0.433 nan 8.230 nan 0.000 0.474 170 I N 1.063 121.561 120.570 -0.120 0.000 2.179 170 I HA -0.119 4.051 4.170 -0.000 0.000 0.242 170 I C 2.757 178.678 176.117 -0.328 0.000 1.088 170 I CA 1.851 63.038 61.300 -0.189 0.000 1.357 170 I CB -1.006 36.888 38.000 -0.177 0.000 1.051 170 I HN 0.446 nan 8.210 nan 0.000 0.409 171 G N 0.499 108.940 108.800 -0.599 0.000 2.440 171 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 171 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 171 G C 1.454 175.987 174.900 -0.612 0.000 1.154 171 G CA 0.982 45.258 45.100 -1.373 0.000 0.767 171 G HN 0.421 nan 8.290 nan 0.000 0.552 172 N N 0.891 119.458 118.700 -0.222 0.000 2.244 172 N HA -0.070 4.670 4.740 -0.000 0.000 0.183 172 N C 2.535 178.030 175.510 -0.026 0.000 1.016 172 N CA 0.992 54.049 53.050 0.011 0.000 0.866 172 N CB -0.106 38.462 38.487 0.135 0.000 0.980 172 N HN 0.269 nan 8.380 nan 0.000 0.430 173 A N 0.807 123.572 122.820 -0.091 0.000 1.902 173 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 173 A C 2.427 179.954 177.584 -0.096 0.000 1.181 173 A CA 1.165 53.141 52.037 -0.101 0.000 0.623 173 A CB -0.813 18.111 19.000 -0.127 0.000 0.818 173 A HN 0.170 nan 8.150 nan 0.000 0.443 174 V N 0.247 120.088 119.914 -0.121 0.000 2.282 174 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 174 V C 2.420 178.504 176.094 -0.017 0.000 1.057 174 V CA 2.461 64.714 62.300 -0.078 0.000 1.032 174 V CB -0.952 30.814 31.823 -0.095 0.000 0.645 174 V HN 0.658 nan 8.190 nan 0.000 0.447 175 E N -0.602 119.607 120.200 0.015 0.000 2.118 175 E HA -0.250 4.099 4.350 -0.000 0.000 0.195 175 E C 2.404 179.024 176.600 0.035 0.000 0.992 175 E CA 1.174 57.612 56.400 0.062 0.000 0.804 175 E CB -0.173 29.596 29.700 0.115 0.000 0.741 175 E HN 0.557 nan 8.360 nan 0.000 0.458 176 Q N 0.214 120.022 119.800 0.014 0.000 2.084 176 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 176 Q C 2.278 178.268 176.000 -0.017 0.000 0.978 176 Q CA 1.064 56.868 55.803 0.002 0.000 0.844 176 Q CB -0.241 28.483 28.738 -0.024 0.000 0.898 176 Q HN 0.283 nan 8.270 nan 0.000 0.426 177 I N 1.185 121.735 120.570 -0.034 0.000 2.179 177 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 177 I C 2.414 178.523 176.117 -0.014 0.000 1.088 177 I CA 1.369 62.645 61.300 -0.040 0.000 1.357 177 I CB -0.697 37.268 38.000 -0.057 0.000 1.051 177 I HN 0.217 nan 8.210 nan 0.000 0.409 178 Q N -0.235 119.566 119.800 0.002 0.000 2.135 178 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 178 Q C 2.126 178.136 176.000 0.018 0.000 0.981 178 Q CA 1.282 57.095 55.803 0.017 0.000 0.856 178 Q CB -0.271 28.488 28.738 0.036 0.000 0.902 178 Q HN 0.473 nan 8.270 nan 0.000 0.425 179 L N -0.788 120.446 121.223 0.018 0.000 2.599 179 L HA 0.086 4.426 4.340 -0.000 0.000 0.230 179 L C 1.168 178.045 176.870 0.012 0.000 1.141 179 L CA 0.361 55.212 54.840 0.019 0.000 0.877 179 L CB -0.129 41.946 42.059 0.026 0.000 1.009 179 L HN 0.419 nan 8.230 nan 0.000 0.447 180 G N 0.265 109.068 108.800 0.004 0.000 2.153 180 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.252 180 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.252 180 G C 1.010 175.907 174.900 -0.004 0.000 0.994 180 G CA 0.657 45.756 45.100 -0.001 0.000 0.698 180 G HN 0.405 nan 8.290 nan 0.000 0.521 181 K N -0.938 119.460 120.400 -0.003 0.000 2.243 181 K HA 0.098 4.417 4.320 -0.000 0.000 0.201 181 K C 0.965 177.555 176.600 -0.016 0.000 1.051 181 K CA 0.798 57.084 56.287 -0.001 0.000 0.970 181 K CB 0.076 32.583 32.500 0.012 0.000 0.755 181 K HN 0.430 nan 8.250 nan 0.000 0.465 182 Q N -0.296 119.480 119.800 -0.040 0.000 2.421 182 Q HA 0.142 4.482 4.340 -0.000 0.000 0.280 182 Q C -0.541 175.387 176.000 -0.120 0.000 1.085 182 Q CA -0.353 55.406 55.803 -0.073 0.000 0.807 182 Q CB 2.017 30.705 28.738 -0.083 0.000 1.405 182 Q HN -0.047 nan 8.270 nan 0.000 0.419 183 D N 0.292 120.577 120.400 -0.191 0.000 2.324 183 D HA 0.256 4.896 4.640 -0.000 0.000 0.212 183 D C 0.263 176.321 176.300 -0.403 0.000 0.984 183 D CA 0.817 54.611 54.000 -0.343 0.000 0.885 183 D CB 1.251 41.702 40.800 -0.581 0.000 0.996 183 D HN 0.367 nan 8.370 nan 0.000 0.505 184 I N 0.794 121.159 120.570 -0.342 0.000 2.569 184 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 184 I C -1.107 174.808 176.117 -0.337 0.000 1.088 184 I CA -0.788 60.288 61.300 -0.374 0.000 1.047 184 I CB 3.252 40.994 38.000 -0.431 0.000 1.237 184 I HN -0.411 nan 8.210 nan 0.000 0.421 185 V N 5.882 125.578 119.914 -0.363 0.000 2.525 185 V HA 0.395 4.515 4.120 -0.000 0.000 0.299 185 V C -0.594 175.281 176.094 -0.365 0.000 1.034 185 V CA -0.627 61.504 62.300 -0.282 0.000 0.863 185 V CB 1.687 33.406 31.823 -0.174 0.000 0.999 185 V HN 0.366 nan 8.190 nan 0.000 0.423 186 F N 3.362 123.214 119.950 -0.162 0.000 2.467 186 F HA 0.632 5.159 4.527 -0.000 0.000 0.362 186 F C 0.757 176.461 175.800 -0.160 0.000 1.090 186 F CA 0.114 58.001 58.000 -0.188 0.000 1.202 186 F CB 0.962 39.810 39.000 -0.253 0.000 1.113 186 F HN 0.577 nan 8.300 nan 0.000 0.541 187 A N 2.405 125.226 122.820 0.001 0.000 2.393 187 A HA 0.928 5.248 4.320 -0.000 0.000 0.306 187 A C -0.046 177.517 177.584 -0.035 0.000 1.050 187 A CA 0.115 52.130 52.037 -0.036 0.000 0.724 187 A CB 1.492 20.444 19.000 -0.081 0.000 1.248 187 A HN 1.045 nan 8.150 nan 0.000 0.424 188 G N -0.247 108.539 108.800 -0.025 0.000 2.512 188 G HA2 0.744 4.703 3.960 -0.000 0.000 0.181 188 G HA3 0.744 4.703 3.960 -0.000 0.000 0.181 188 G C -0.150 174.750 174.900 -0.000 0.000 1.173 188 G CA 0.423 45.507 45.100 -0.027 0.000 0.988 188 G HN 2.341 nan 8.290 nan 0.000 0.485 189 G N -2.113 106.692 108.800 0.009 0.000 2.349 189 G HA2 0.789 4.749 3.960 -0.000 0.000 0.294 189 G HA3 0.789 4.749 3.960 -0.000 0.000 0.294 189 G C -0.614 174.321 174.900 0.057 0.000 1.380 189 G CA 0.611 45.733 45.100 0.037 0.000 0.811 189 G HN 2.044 nan 8.290 nan 0.000 0.519 190 G N -1.168 107.681 108.800 0.082 0.000 2.704 190 G HA2 0.683 4.643 3.960 -0.000 0.000 0.293 190 G HA3 0.683 4.643 3.960 -0.000 0.000 0.293 190 G C -1.916 173.060 174.900 0.126 0.000 1.421 190 G CA -0.350 44.827 45.100 0.129 0.000 0.870 190 G HN 0.687 nan 8.290 nan 0.000 0.492 191 E N -0.162 120.146 120.200 0.181 0.000 2.321 191 E HA 0.349 4.699 4.350 -0.000 0.000 0.281 191 E C -0.145 176.579 176.600 0.207 0.000 0.910 191 E CA -0.694 55.791 56.400 0.141 0.000 0.770 191 E CB 1.535 31.283 29.700 0.080 0.000 1.225 191 E HN 0.706 nan 8.360 nan 0.000 0.417 192 E N 3.134 123.415 120.200 0.135 0.000 2.371 192 E HA 0.376 4.726 4.350 -0.000 0.000 0.257 192 E C -0.788 175.876 176.600 0.106 0.000 1.134 192 E CA -0.784 55.691 56.400 0.126 0.000 0.919 192 E CB 1.069 30.797 29.700 0.047 0.000 1.025 192 E HN 0.252 nan 8.360 nan 0.000 0.438 193 L N 2.230 123.496 121.223 0.072 0.000 2.372 193 L HA 0.452 4.792 4.340 -0.000 0.000 0.274 193 L C -1.409 175.513 176.870 0.087 0.000 0.988 193 L CA -0.416 54.436 54.840 0.019 0.000 0.833 193 L CB 0.925 42.861 42.059 -0.206 0.000 1.236 193 L HN 0.921 nan 8.230 nan 0.000 0.410 194 C N 2.345 121.753 119.300 0.180 0.000 3.241 194 C HA 0.397 4.857 4.460 -0.000 0.000 0.348 194 C C 1.066 176.144 174.990 0.146 0.000 1.180 194 C CA -1.051 58.053 59.018 0.142 0.000 1.273 194 C CB 0.516 28.209 27.740 -0.078 0.000 1.620 194 C HN 1.068 nan 8.230 nan 0.000 0.510 195 W N 1.356 122.760 121.300 0.173 0.000 2.374 195 W HA -0.032 4.628 4.660 -0.000 0.000 0.288 195 W C 1.003 177.580 176.519 0.097 0.000 1.218 195 W CA 1.952 59.361 57.345 0.108 0.000 1.245 195 W CB -0.965 28.521 29.460 0.044 0.000 1.126 195 W HN 0.883 nan 8.180 nan 0.000 0.545 196 E N 0.800 120.368 120.200 -1.054 0.000 2.097 196 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 196 E C 2.347 178.778 176.600 -0.282 0.000 1.000 196 E CA 2.690 58.491 56.400 -0.998 0.000 0.804 196 E CB -0.676 28.479 29.700 -0.909 0.000 0.740 196 E HN 0.382 nan 8.360 nan 0.000 0.454 197 M N -0.611 118.922 119.600 -0.112 0.000 2.325 197 M HA 0.112 4.592 4.480 -0.000 0.000 0.265 197 M C 2.070 178.518 176.300 0.247 0.000 1.094 197 M CA 1.186 56.535 55.300 0.082 0.000 1.161 197 M CB 0.136 32.821 32.600 0.142 0.000 1.358 197 M HN 0.148 nan 8.290 nan 0.000 0.446 198 A N 0.338 123.310 122.820 0.253 0.000 1.940 198 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 198 A C 2.328 180.082 177.584 0.284 0.000 1.176 198 A CA 1.770 53.997 52.037 0.317 0.000 0.631 198 A CB -1.734 17.420 19.000 0.257 0.000 0.814 198 A HN 0.872 nan 8.150 nan 0.000 0.446 199 C N -0.555 118.893 119.300 0.248 0.000 2.419 199 C HA -0.037 4.422 4.460 -0.000 0.000 0.281 199 C C 2.140 177.210 174.990 0.133 0.000 1.336 199 C CA 1.027 60.172 59.018 0.212 0.000 1.770 199 C CB -1.482 26.440 27.740 0.304 0.000 1.929 199 C HN 0.653 nan 8.230 nan 0.000 0.509 200 E N 0.461 120.712 120.200 0.085 0.000 2.072 200 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 200 E C 1.792 178.319 176.600 -0.122 0.000 0.985 200 E CA 1.427 57.794 56.400 -0.055 0.000 0.801 200 E CB -0.318 29.274 29.700 -0.179 0.000 0.750 200 E HN 0.770 nan 8.360 nan 0.000 0.452 201 F N 1.285 121.248 119.950 0.021 0.000 2.146 201 F HA -0.154 4.372 4.527 -0.000 0.000 0.298 201 F C 2.253 178.005 175.800 -0.081 0.000 1.096 201 F CA 1.109 59.086 58.000 -0.038 0.000 1.275 201 F CB -0.231 38.730 39.000 -0.065 0.000 1.008 201 F HN -0.029 nan 8.300 nan 0.000 0.480 202 D N 0.255 120.724 120.400 0.115 0.000 2.144 202 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 202 D C 2.215 178.534 176.300 0.033 0.000 0.984 202 D CA 1.225 55.249 54.000 0.039 0.000 0.834 202 D CB -0.238 40.592 40.800 0.049 0.000 0.955 202 D HN 0.178 nan 8.370 nan 0.000 0.465 203 A N 0.503 123.347 122.820 0.039 0.000 2.067 203 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 203 A C 2.173 179.770 177.584 0.022 0.000 1.158 203 A CA 1.566 53.620 52.037 0.029 0.000 0.661 203 A CB -0.702 18.316 19.000 0.029 0.000 0.801 203 A HN 0.502 nan 8.150 nan 0.000 0.452 204 M N -3.312 116.299 119.600 0.018 0.000 2.428 204 M HA 0.468 4.948 4.480 -0.000 0.000 0.239 204 M C 1.042 177.364 176.300 0.036 0.000 1.121 204 M CA 0.741 56.059 55.300 0.030 0.000 1.019 204 M CB 0.215 32.830 32.600 0.026 0.000 1.485 204 M HN 0.566 nan 8.290 nan 0.000 0.484 205 G N 0.658 109.472 108.800 0.023 0.000 2.136 205 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 205 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 205 G C 0.796 175.697 174.900 0.002 0.000 0.989 205 G CA 0.321 45.429 45.100 0.014 0.000 0.682 205 G HN 0.753 nan 8.290 nan 0.000 0.522 206 A N -0.838 121.975 122.820 -0.012 0.000 2.123 206 A HA 0.634 4.954 4.320 -0.000 0.000 0.214 206 A C 1.258 178.677 177.584 -0.274 0.000 1.152 206 A CA 0.857 52.868 52.037 -0.043 0.000 0.728 206 A CB 0.087 19.143 19.000 0.092 0.000 0.814 206 A HN 0.665 nan 8.150 nan 0.000 0.464 207 L N -0.341 120.704 121.223 -0.297 0.000 2.344 207 L HA 0.364 4.703 4.340 -0.000 0.000 0.272 207 L C 0.643 177.417 176.870 -0.161 0.000 1.035 207 L CA -0.630 53.974 54.840 -0.394 0.000 0.807 207 L CB 1.613 43.475 42.059 -0.328 0.000 1.237 207 L HN 0.128 nan 8.230 nan 0.000 0.442 208 S N 0.066 115.703 115.700 -0.105 0.000 2.533 208 S HA 0.115 4.585 4.470 -0.000 0.000 0.282 208 S C 0.791 175.385 174.600 -0.010 0.000 1.304 208 S CA 0.176 58.384 58.200 0.014 0.000 1.063 208 S CB 0.389 63.641 63.200 0.087 0.000 0.881 208 S HN 0.828 nan 8.310 nan 0.000 0.493 209 T N 1.547 116.094 114.554 -0.013 0.000 2.986 209 T HA 0.341 4.691 4.350 -0.000 0.000 0.264 209 T C 0.962 175.585 174.700 -0.127 0.000 0.964 209 T CA -0.386 61.658 62.100 -0.093 0.000 0.895 209 T CB -0.087 68.718 68.868 -0.105 0.000 1.163 209 T HN 0.571 nan 8.240 nan 0.000 0.517 210 K N 0.089 120.399 120.400 -0.150 0.000 2.404 210 K HA 0.252 4.572 4.320 -0.000 0.000 0.194 210 K C -0.242 176.024 176.600 -0.557 0.000 1.023 210 K CA 0.340 56.391 56.287 -0.394 0.000 1.094 210 K CB 0.186 32.351 32.500 -0.558 0.000 0.841 210 K HN 0.440 nan 8.250 nan 0.000 0.523 211 Y N -0.435 119.850 120.300 -0.024 0.000 2.706 211 Y HA 0.194 4.744 4.550 -0.000 0.000 0.255 211 Y C 0.827 176.735 175.900 0.013 0.000 1.163 211 Y CA -0.641 57.457 58.100 -0.004 0.000 1.174 211 Y CB 0.174 38.639 38.460 0.009 0.000 1.200 211 Y HN -0.004 nan 8.280 nan 0.000 0.544 212 N N 0.602 119.355 118.700 0.088 0.000 2.223 212 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 212 N C 0.872 176.476 175.510 0.156 0.000 1.016 212 N CA 1.431 54.564 53.050 0.139 0.000 0.863 212 N CB 0.018 38.560 38.487 0.092 0.000 0.983 212 N HN 0.419 nan 8.380 nan 0.000 0.429 213 D N -0.228 120.219 120.400 0.078 0.000 2.312 213 D HA -0.034 4.606 4.640 -0.000 0.000 0.211 213 D C 0.496 176.827 176.300 0.050 0.000 0.964 213 D CA 0.869 54.886 54.000 0.029 0.000 0.877 213 D CB 0.014 40.814 40.800 -0.000 0.000 0.924 213 D HN 0.337 nan 8.370 nan 0.000 0.515 214 T N -2.458 112.159 114.554 0.105 0.000 3.418 214 T HA 0.334 4.684 4.350 -0.000 0.000 0.315 214 T C -2.373 172.399 174.700 0.119 0.000 1.447 214 T CA -1.613 60.549 62.100 0.103 0.000 1.641 214 T CB 1.776 70.712 68.868 0.113 0.000 0.904 214 T HN -0.277 nan 8.240 nan 0.000 0.640 215 P HA -0.101 nan 4.420 nan 0.000 0.217 215 P C 1.349 178.700 177.300 0.084 0.000 1.148 215 P CA 1.107 64.289 63.100 0.135 0.000 0.828 215 P CB 0.161 31.965 31.700 0.173 0.000 0.783 216 E N -0.543 119.693 120.200 0.060 0.000 2.418 216 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 216 E C 1.215 177.805 176.600 -0.018 0.000 1.026 216 E CA 0.661 57.076 56.400 0.026 0.000 0.862 216 E CB -0.127 29.587 29.700 0.023 0.000 0.799 216 E HN 0.303 nan 8.360 nan 0.000 0.518 217 K N -0.300 120.077 120.400 -0.038 0.000 2.358 217 K HA 0.210 4.529 4.320 -0.000 0.000 0.197 217 K C 1.570 177.967 176.600 -0.339 0.000 1.025 217 K CA 0.249 56.449 56.287 -0.145 0.000 1.104 217 K CB 0.743 33.180 32.500 -0.106 0.000 0.855 217 K HN -0.001 nan 8.250 nan 0.000 0.531 218 A N 1.308 124.014 122.820 -0.191 0.000 1.898 218 A HA -0.048 4.271 4.320 -0.000 0.000 0.216 218 A C 1.466 178.933 177.584 -0.196 0.000 1.181 218 A CA 1.041 52.959 52.037 -0.199 0.000 0.620 218 A CB -0.115 18.918 19.000 0.056 0.000 0.819 218 A HN 0.173 nan 8.150 nan 0.000 0.442 219 S N 0.504 116.139 115.700 -0.108 0.000 2.430 219 S HA 0.456 4.926 4.470 -0.000 0.000 0.289 219 S C 0.282 174.811 174.600 -0.119 0.000 1.143 219 S CA -0.642 57.514 58.200 -0.074 0.000 1.067 219 S CB -0.058 63.128 63.200 -0.024 0.000 0.964 219 S HN 0.505 nan 8.310 nan 0.000 0.485 220 R N 2.671 123.094 120.500 -0.128 0.000 2.533 220 R HA 0.167 4.506 4.340 -0.000 0.000 0.268 220 R C -0.789 175.441 176.300 -0.117 0.000 1.303 220 R CA -0.617 55.407 56.100 -0.127 0.000 1.429 220 R CB -1.064 29.133 30.300 -0.172 0.000 1.361 220 R HN 0.456 nan 8.270 nan 0.000 0.745 221 T N 2.157 116.593 114.554 -0.196 0.000 2.819 221 T HA -0.095 4.255 4.350 -0.000 0.000 0.282 221 T C -0.046 174.450 174.700 -0.340 0.000 1.013 221 T CA 1.113 62.975 62.100 -0.398 0.000 1.159 221 T CB -0.155 68.332 68.868 -0.635 0.000 1.007 221 T HN 0.518 nan 8.240 nan 0.000 0.514 222 Y N -1.218 119.083 120.300 0.001 0.000 4.894 222 Y HA -0.215 4.334 4.550 -0.000 0.000 0.270 222 Y C 0.724 176.626 175.900 0.004 0.000 0.930 222 Y CA 0.458 58.561 58.100 0.005 0.000 1.814 222 Y CB -2.283 36.179 38.460 0.003 0.000 1.235 222 Y HN 0.774 nan 8.280 nan 0.000 0.480 223 D N 0.497 120.962 120.400 0.108 0.000 2.382 223 D HA 0.555 5.195 4.640 -0.000 0.000 0.245 223 D C 1.283 177.613 176.300 0.050 0.000 1.120 223 D CA 0.795 54.843 54.000 0.079 0.000 0.890 223 D CB 1.262 42.095 40.800 0.055 0.000 1.201 223 D HN 0.272 nan 8.370 nan 0.000 0.433 224 A N 3.056 125.879 122.820 0.005 0.000 2.070 224 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 224 A C 1.148 178.548 177.584 -0.306 0.000 1.159 224 A CA 1.328 53.270 52.037 -0.157 0.000 0.656 224 A CB -0.516 18.335 19.000 -0.248 0.000 0.800 224 A HN 0.780 nan 8.150 nan 0.000 0.453 225 H N -0.443 118.683 119.070 0.094 0.000 2.487 225 H HA 0.175 4.731 4.556 -0.000 0.000 0.290 225 H C 0.554 175.991 175.328 0.180 0.000 1.081 225 H CA -0.346 55.785 56.048 0.139 0.000 1.116 225 H CB 0.063 29.931 29.762 0.177 0.000 1.560 225 H HN 0.576 nan 8.280 nan 0.000 0.548 226 R N 1.434 122.026 120.500 0.154 0.000 2.679 226 R HA 0.008 4.348 4.340 -0.000 0.000 0.268 226 R C -0.489 175.908 176.300 0.161 0.000 1.044 226 R CA 0.461 56.635 56.100 0.123 0.000 1.105 226 R CB 0.475 30.803 30.300 0.047 0.000 0.989 226 R HN 0.254 nan 8.270 nan 0.000 0.447 227 D N 0.305 120.811 120.400 0.176 0.000 2.712 227 D HA 0.225 4.865 4.640 -0.000 0.000 0.300 227 D C 0.122 176.476 176.300 0.091 0.000 1.521 227 D CA 0.078 54.163 54.000 0.141 0.000 0.790 227 D CB 0.422 41.319 40.800 0.162 0.000 1.155 227 D HN 0.913 nan 8.370 nan 0.000 0.456 228 G N 0.413 109.263 108.800 0.083 0.000 2.392 228 G HA2 0.233 4.193 3.960 -0.000 0.000 0.677 228 G HA3 0.233 4.193 3.960 -0.000 0.000 0.677 228 G C -0.600 174.346 174.900 0.077 0.000 1.334 228 G CA -0.690 44.445 45.100 0.057 0.000 0.961 228 G HN 0.324 nan 8.290 nan 0.000 0.616 229 F N -0.552 119.407 119.950 0.016 0.000 2.378 229 F HA 0.805 5.332 4.527 -0.000 0.000 0.319 229 F C 0.243 176.049 175.800 0.010 0.000 1.155 229 F CA -1.359 56.641 58.000 -0.001 0.000 1.157 229 F CB 1.228 40.238 39.000 0.016 0.000 1.252 229 F HN 0.397 nan 8.300 nan 0.000 0.550 230 V N 4.320 124.401 119.914 0.278 0.000 2.384 230 V HA 0.279 4.399 4.120 -0.000 0.000 0.287 230 V C 0.156 176.430 176.094 0.302 0.000 1.020 230 V CA -0.875 61.525 62.300 0.167 0.000 0.850 230 V CB 1.170 33.072 31.823 0.131 0.000 0.987 230 V HN 0.863 nan 8.190 nan 0.000 0.436 231 I N 4.597 125.294 120.570 0.213 0.000 2.696 231 I HA 0.579 4.748 4.170 -0.000 0.000 0.284 231 I C 0.458 176.687 176.117 0.186 0.000 1.129 231 I CA 0.434 61.878 61.300 0.239 0.000 1.410 231 I CB 1.000 39.076 38.000 0.126 0.000 1.399 231 I HN 0.791 nan 8.210 nan 0.000 0.579 232 A N 4.691 127.569 122.820 0.096 0.000 2.569 232 A HA 0.896 5.216 4.320 -0.000 0.000 0.290 232 A C -0.652 176.912 177.584 -0.033 0.000 1.136 232 A CA -0.142 51.909 52.037 0.022 0.000 0.710 232 A CB 1.381 20.399 19.000 0.030 0.000 1.303 232 A HN 0.839 nan 8.150 nan 0.000 0.413 233 G N -1.870 106.869 108.800 -0.102 0.000 2.733 233 G HA2 0.927 4.887 3.960 -0.000 0.000 0.288 233 G HA3 0.927 4.887 3.960 -0.000 0.000 0.288 233 G C -0.095 174.685 174.900 -0.200 0.000 1.373 233 G CA -0.212 44.842 45.100 -0.078 0.000 0.895 233 G HN 2.301 nan 8.290 nan 0.000 0.479 234 G N -2.075 106.604 108.800 -0.202 0.000 2.340 234 G HA2 0.612 4.572 3.960 -0.000 0.000 0.282 234 G HA3 0.612 4.572 3.960 -0.000 0.000 0.282 234 G C -0.344 174.537 174.900 -0.033 0.000 1.312 234 G CA 0.209 45.058 45.100 -0.419 0.000 0.942 234 G HN 1.948 nan 8.290 nan 0.000 0.495 235 G N -1.819 106.957 108.800 -0.039 0.000 2.695 235 G HA2 1.027 4.987 3.960 -0.000 0.000 0.290 235 G HA3 1.027 4.987 3.960 -0.000 0.000 0.290 235 G C -0.345 174.548 174.900 -0.011 0.000 1.410 235 G CA 0.258 45.392 45.100 0.056 0.000 0.844 235 G HN 2.053 nan 8.290 nan 0.000 0.478 236 G N -0.692 108.098 108.800 -0.016 0.000 2.703 236 G HA2 0.612 4.572 3.960 -0.000 0.000 0.294 236 G HA3 0.612 4.572 3.960 -0.000 0.000 0.294 236 G C -1.395 173.473 174.900 -0.054 0.000 1.451 236 G CA -0.624 44.441 45.100 -0.058 0.000 0.869 236 G HN 0.548 nan 8.290 nan 0.000 0.516 237 M N 0.882 120.440 119.600 -0.069 0.000 2.371 237 M HA 0.482 4.962 4.480 -0.000 0.000 0.287 237 M C -0.308 175.951 176.300 -0.068 0.000 1.149 237 M CA -0.891 54.371 55.300 -0.063 0.000 0.929 237 M CB 1.370 33.923 32.600 -0.079 0.000 1.683 237 M HN 0.928 nan 8.290 nan 0.000 0.470 238 V N 0.555 120.430 119.914 -0.065 0.000 2.815 238 V HA 0.868 4.988 4.120 -0.000 0.000 0.314 238 V C -0.573 175.476 176.094 -0.076 0.000 1.064 238 V CA -0.838 61.413 62.300 -0.082 0.000 0.952 238 V CB 2.004 33.755 31.823 -0.121 0.000 1.020 238 V HN 0.540 nan 8.190 nan 0.000 0.439 239 V N 4.081 123.932 119.914 -0.104 0.000 2.334 239 V HA 0.336 4.456 4.120 -0.000 0.000 0.267 239 V C 0.180 176.147 176.094 -0.211 0.000 1.040 239 V CA -0.343 61.811 62.300 -0.244 0.000 0.866 239 V CB 0.952 32.644 31.823 -0.219 0.000 1.019 239 V HN 0.736 nan 8.190 nan 0.000 0.468 240 V N 5.115 124.879 119.914 -0.250 0.000 2.406 240 V HA 0.460 4.580 4.120 -0.000 0.000 0.272 240 V C 0.091 176.057 176.094 -0.213 0.000 1.043 240 V CA -0.243 61.944 62.300 -0.187 0.000 0.915 240 V CB 1.306 33.029 31.823 -0.167 0.000 0.988 240 V HN 0.971 nan 8.190 nan 0.000 0.466 241 E N 2.788 122.898 120.200 -0.150 0.000 2.314 241 E HA 0.329 4.678 4.350 -0.000 0.000 0.272 241 E C -0.824 175.722 176.600 -0.089 0.000 0.884 241 E CA -0.726 55.586 56.400 -0.147 0.000 0.753 241 E CB 1.838 31.477 29.700 -0.101 0.000 1.213 241 E HN 0.697 nan 8.360 nan 0.000 0.432 242 E N 3.677 123.820 120.200 -0.096 0.000 2.384 242 E HA -0.025 4.325 4.350 -0.000 0.000 0.266 242 E C 0.728 177.338 176.600 0.017 0.000 1.012 242 E CA -0.098 56.279 56.400 -0.038 0.000 0.901 242 E CB 1.161 30.837 29.700 -0.040 0.000 0.967 242 E HN 0.624 nan 8.360 nan 0.000 0.435 243 L N 5.519 126.747 121.223 0.008 0.000 1.989 243 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 243 L C 1.910 178.794 176.870 0.024 0.000 1.071 243 L CA 1.936 56.781 54.840 0.009 0.000 0.749 243 L CB -0.424 41.635 42.059 -0.001 0.000 0.890 243 L HN 0.553 nan 8.230 nan 0.000 0.431 244 E N -1.005 119.214 120.200 0.032 0.000 2.110 244 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 244 E C 2.206 178.830 176.600 0.040 0.000 0.988 244 E CA 1.364 57.780 56.400 0.027 0.000 0.804 244 E CB -0.725 28.990 29.700 0.024 0.000 0.745 244 E HN 0.684 nan 8.360 nan 0.000 0.458 245 H N 0.770 119.825 119.070 -0.024 0.000 2.319 245 H HA -0.059 4.496 4.556 -0.000 0.000 0.299 245 H C 1.884 177.196 175.328 -0.028 0.000 1.092 245 H CA 1.806 57.839 56.048 -0.025 0.000 1.302 245 H CB 0.158 29.901 29.762 -0.031 0.000 1.373 245 H HN 0.127 nan 8.280 nan 0.000 0.497 246 A N 1.174 124.064 122.820 0.118 0.000 1.877 246 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 246 A C 2.911 180.484 177.584 -0.017 0.000 1.186 246 A CA 1.409 53.476 52.037 0.050 0.000 0.620 246 A CB -0.931 18.087 19.000 0.030 0.000 0.822 246 A HN 0.415 nan 8.150 nan 0.000 0.443 247 L N -0.786 120.424 121.223 -0.021 0.000 2.046 247 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 247 L C 3.061 179.902 176.870 -0.048 0.000 1.077 247 L CA 1.064 55.884 54.840 -0.034 0.000 0.747 247 L CB -0.521 41.522 42.059 -0.027 0.000 0.896 247 L HN 0.433 nan 8.230 nan 0.000 0.432 248 A N 0.895 123.674 122.820 -0.069 0.000 2.019 248 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 248 A C 2.231 179.753 177.584 -0.104 0.000 1.164 248 A CA 1.659 53.643 52.037 -0.088 0.000 0.644 248 A CB -0.515 18.419 19.000 -0.111 0.000 0.805 248 A HN 0.583 nan 8.150 nan 0.000 0.449 249 R N -1.419 119.005 120.500 -0.127 0.000 2.359 249 R HA 0.361 4.701 4.340 -0.000 0.000 0.231 249 R C 0.971 177.241 176.300 -0.048 0.000 0.913 249 R CA 0.648 56.688 56.100 -0.100 0.000 1.075 249 R CB -0.554 29.665 30.300 -0.135 0.000 1.087 249 R HN 0.697 nan 8.270 nan 0.000 0.515 250 G N 0.689 109.465 108.800 -0.040 0.000 2.198 250 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.257 250 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.257 250 G C 0.314 175.210 174.900 -0.006 0.000 1.042 250 G CA 0.101 45.188 45.100 -0.021 0.000 0.791 250 G HN 0.713 nan 8.290 nan 0.000 0.502 251 A N 0.084 122.899 122.820 -0.007 0.000 2.466 251 A HA 0.491 4.811 4.320 -0.000 0.000 0.238 251 A C 0.652 178.241 177.584 0.008 0.000 1.074 251 A CA 0.272 52.316 52.037 0.011 0.000 0.774 251 A CB 0.192 19.197 19.000 0.008 0.000 1.015 251 A HN 0.936 nan 8.150 nan 0.000 0.498 252 H N 1.767 120.789 119.070 -0.080 0.000 2.620 252 H HA 0.450 5.006 4.556 -0.000 0.000 0.313 252 H C -0.996 174.228 175.328 -0.173 0.000 1.075 252 H CA -0.162 55.798 56.048 -0.148 0.000 1.397 252 H CB 0.426 30.064 29.762 -0.207 0.000 1.446 252 H HN 0.488 nan 8.280 nan 0.000 0.493 253 I N 6.517 126.677 120.570 -0.685 0.000 2.339 253 I HA 0.002 4.172 4.170 -0.000 0.000 0.290 253 I C 0.130 175.896 176.117 -0.585 0.000 0.994 253 I CA -0.575 60.465 61.300 -0.433 0.000 1.191 253 I CB 1.232 39.100 38.000 -0.219 0.000 1.343 253 I HN 0.668 nan 8.210 nan 0.000 0.458 254 Y N 4.940 125.076 120.300 -0.274 0.000 2.176 254 Y HA 0.266 4.816 4.550 -0.000 0.000 0.291 254 Y C 1.235 177.064 175.900 -0.118 0.000 1.122 254 Y CA 0.905 58.910 58.100 -0.159 0.000 1.128 254 Y CB 0.160 38.594 38.460 -0.043 0.000 1.005 254 Y HN 0.652 nan 8.280 nan 0.000 0.509 255 A N -0.668 122.204 122.820 0.086 0.000 2.601 255 A HA 0.414 4.734 4.320 -0.000 0.000 0.291 255 A C -1.462 176.127 177.584 0.009 0.000 1.075 255 A CA -0.814 51.243 52.037 0.033 0.000 0.671 255 A CB 0.897 19.925 19.000 0.046 0.000 1.277 255 A HN 0.102 nan 8.150 nan 0.000 0.417 256 E N 0.856 121.056 120.200 0.000 0.000 2.231 256 E HA 0.481 4.831 4.350 -0.000 0.000 0.277 256 E C -0.822 175.780 176.600 0.002 0.000 0.999 256 E CA -0.682 55.715 56.400 -0.004 0.000 0.827 256 E CB 0.637 30.335 29.700 -0.004 0.000 1.101 256 E HN 0.459 nan 8.360 nan 0.000 0.393 257 I N 6.604 127.172 120.570 -0.004 0.000 2.294 257 I HA -0.008 4.162 4.170 -0.000 0.000 0.295 257 I C 1.087 177.219 176.117 0.025 0.000 1.098 257 I CA 0.111 61.414 61.300 0.004 0.000 1.277 257 I CB 0.445 38.434 38.000 -0.018 0.000 1.434 257 I HN 0.491 nan 8.210 nan 0.000 0.498 258 V N 3.343 123.278 119.914 0.035 0.000 3.650 258 V HA 0.554 4.674 4.120 -0.000 0.000 0.271 258 V C 0.734 176.867 176.094 0.064 0.000 1.281 258 V CA 0.287 62.611 62.300 0.041 0.000 1.120 258 V CB 0.129 31.970 31.823 0.030 0.000 0.856 258 V HN 0.696 nan 8.190 nan 0.000 0.443 259 G N -0.573 108.279 108.800 0.087 0.000 2.742 259 G HA2 0.540 4.500 3.960 -0.000 0.000 0.296 259 G HA3 0.540 4.500 3.960 -0.000 0.000 0.296 259 G C -2.335 172.681 174.900 0.194 0.000 1.436 259 G CA -0.578 44.594 45.100 0.120 0.000 0.928 259 G HN 0.343 nan 8.290 nan 0.000 0.520 260 Y N 1.112 121.434 120.300 0.038 0.000 2.330 260 Y HA 0.666 5.216 4.550 -0.000 0.000 0.324 260 Y C -0.166 175.764 175.900 0.049 0.000 1.093 260 Y CA -1.220 56.902 58.100 0.036 0.000 1.103 260 Y CB 1.614 40.096 38.460 0.036 0.000 1.183 260 Y HN 0.861 nan 8.280 nan 0.000 0.433 261 G N 3.140 111.873 108.800 -0.112 0.000 2.388 261 G HA2 0.750 4.710 3.960 -0.000 0.000 0.330 261 G HA3 0.750 4.710 3.960 -0.000 0.000 0.330 261 G C -1.601 173.118 174.900 -0.302 0.000 1.142 261 G CA -0.555 44.405 45.100 -0.232 0.000 0.908 261 G HN 1.129 nan 8.290 nan 0.000 0.473 262 A N 1.541 124.179 122.820 -0.303 0.000 2.414 262 A HA 0.878 5.198 4.320 -0.000 0.000 0.286 262 A C -0.011 177.559 177.584 -0.024 0.000 1.073 262 A CA -0.072 51.934 52.037 -0.052 0.000 0.727 262 A CB 1.430 20.409 19.000 -0.035 0.000 1.215 262 A HN 1.578 nan 8.150 nan 0.000 0.430 263 T N -1.419 113.163 114.554 0.047 0.000 2.696 263 T HA 0.861 5.211 4.350 -0.000 0.000 0.291 263 T C -0.356 174.356 174.700 0.020 0.000 1.095 263 T CA -0.353 61.747 62.100 0.000 0.000 1.026 263 T CB 1.650 70.499 68.868 -0.031 0.000 1.390 263 T HN 1.541 nan 8.240 nan 0.000 0.513 264 S N -1.020 114.670 115.700 -0.015 0.000 2.541 264 S HA 0.472 4.942 4.470 -0.000 0.000 0.280 264 S C -0.275 174.303 174.600 -0.038 0.000 1.112 264 S CA -0.591 57.599 58.200 -0.016 0.000 0.925 264 S CB 1.678 64.864 63.200 -0.023 0.000 1.067 264 S HN 0.693 nan 8.310 nan 0.000 0.479 265 D N 2.747 123.123 120.400 -0.040 0.000 2.123 265 D HA 0.149 4.788 4.640 -0.000 0.000 0.200 265 D C 1.496 177.772 176.300 -0.042 0.000 0.976 265 D CA 1.560 55.529 54.000 -0.051 0.000 0.831 265 D CB -0.574 40.197 40.800 -0.048 0.000 0.974 265 D HN 1.084 nan 8.370 nan 0.000 0.469 266 G N 0.248 109.026 108.800 -0.036 0.000 2.305 266 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.287 266 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.287 266 G C 0.544 175.426 174.900 -0.030 0.000 1.036 266 G CA 0.912 45.992 45.100 -0.034 0.000 0.887 266 G HN 0.647 nan 8.290 nan 0.000 0.505 267 A N -0.999 121.804 122.820 -0.028 0.000 2.446 267 A HA 0.701 5.021 4.320 -0.000 0.000 0.199 267 A C 0.237 177.812 177.584 -0.015 0.000 1.677 267 A CA 0.734 52.758 52.037 -0.021 0.000 1.600 267 A CB 0.326 19.314 19.000 -0.021 0.000 1.583 267 A HN 0.388 nan 8.150 nan 0.000 0.551 268 D N 0.142 120.539 120.400 -0.005 0.000 2.274 268 D HA 0.348 4.988 4.640 -0.000 0.000 0.239 268 D C 0.781 177.083 176.300 0.003 0.000 1.104 268 D CA -0.396 53.608 54.000 0.006 0.000 0.840 268 D CB 1.579 42.393 40.800 0.024 0.000 1.100 268 D HN 0.270 nan 8.370 nan 0.000 0.477 269 M N 4.423 124.014 119.600 -0.016 0.000 2.144 269 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 269 M C 1.589 177.868 176.300 -0.035 0.000 1.067 269 M CA 1.782 57.044 55.300 -0.064 0.000 1.095 269 M CB -0.222 32.330 32.600 -0.080 0.000 1.365 269 M HN 0.416 nan 8.290 nan 0.000 0.406 270 V N -2.240 117.721 119.914 0.078 0.000 2.374 270 V HA 0.372 4.492 4.120 -0.000 0.000 0.241 270 V C 1.185 177.442 176.094 0.272 0.000 1.034 270 V CA 0.506 62.946 62.300 0.233 0.000 1.037 270 V CB -1.759 30.187 31.823 0.204 0.000 0.682 270 V HN 0.391 nan 8.190 nan 0.000 0.463 271 A N 2.189 125.109 122.820 0.166 0.000 2.295 271 A HA 0.777 5.097 4.320 -0.000 0.000 0.318 271 A C -2.440 175.215 177.584 0.118 0.000 1.134 271 A CA -1.854 50.274 52.037 0.152 0.000 0.827 271 A CB 0.014 19.078 19.000 0.108 0.000 1.136 271 A HN 0.466 nan 8.150 nan 0.000 0.493 272 P HA 0.054 nan 4.420 nan 0.000 0.268 272 P C 0.774 178.077 177.300 0.005 0.000 1.205 272 P CA 0.277 63.406 63.100 0.048 0.000 0.771 272 P CB 1.101 32.834 31.700 0.054 0.000 0.858 273 S N 1.839 117.514 115.700 -0.041 0.000 2.414 273 S HA 0.085 4.554 4.470 -0.000 0.000 0.227 273 S C 1.619 176.185 174.600 -0.057 0.000 1.022 273 S CA 1.117 59.292 58.200 -0.042 0.000 0.958 273 S CB -1.024 62.146 63.200 -0.050 0.000 0.797 273 S HN 0.730 nan 8.310 nan 0.000 0.493 274 G N 1.609 110.345 108.800 -0.107 0.000 3.079 274 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.214 274 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.214 274 G C 0.882 175.701 174.900 -0.136 0.000 1.335 274 G CA 0.515 45.549 45.100 -0.110 0.000 0.822 274 G HN 0.509 nan 8.290 nan 0.000 0.545 275 E N 1.301 121.441 120.200 -0.101 0.000 2.118 275 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 275 E C 2.632 179.157 176.600 -0.125 0.000 0.992 275 E CA 1.791 58.134 56.400 -0.095 0.000 0.804 275 E CB -0.741 28.918 29.700 -0.068 0.000 0.741 275 E HN 0.619 nan 8.360 nan 0.000 0.458 276 G N 0.712 109.422 108.800 -0.149 0.000 2.440 276 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 276 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 276 G C 1.626 176.376 174.900 -0.251 0.000 1.154 276 G CA 1.026 46.026 45.100 -0.167 0.000 0.767 276 G HN 0.413 nan 8.290 nan 0.000 0.552 277 A N 0.075 122.642 122.820 -0.422 0.000 1.898 277 A HA 0.123 4.443 4.320 -0.000 0.000 0.216 277 A C 2.610 180.054 177.584 -0.233 0.000 1.181 277 A CA 1.704 53.354 52.037 -0.645 0.000 0.620 277 A CB -0.616 17.777 19.000 -1.012 0.000 0.819 277 A HN 0.244 nan 8.150 nan 0.000 0.442 278 V N 0.193 120.009 119.914 -0.165 0.000 2.255 278 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 278 V C 2.661 178.705 176.094 -0.083 0.000 1.051 278 V CA 2.402 64.644 62.300 -0.095 0.000 1.018 278 V CB -0.837 30.935 31.823 -0.085 0.000 0.641 278 V HN 0.531 nan 8.190 nan 0.000 0.445 279 R N -1.134 119.312 120.500 -0.089 0.000 2.096 279 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 279 R C 2.405 178.672 176.300 -0.055 0.000 1.127 279 R CA 1.710 57.766 56.100 -0.073 0.000 0.968 279 R CB -0.864 29.392 30.300 -0.075 0.000 0.861 279 R HN 0.579 nan 8.270 nan 0.000 0.440 280 C N 0.685 119.961 119.300 -0.040 0.000 2.453 280 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 280 C C 2.620 177.638 174.990 0.047 0.000 1.262 280 C CA 0.787 59.816 59.018 0.018 0.000 1.718 280 C CB -0.674 27.125 27.740 0.100 0.000 2.031 280 C HN 0.460 nan 8.230 nan 0.000 0.480 281 M N 0.215 119.855 119.600 0.066 0.000 2.086 281 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 281 M C 2.312 178.607 176.300 -0.009 0.000 1.067 281 M CA 1.869 57.207 55.300 0.063 0.000 1.116 281 M CB -0.480 32.164 32.600 0.073 0.000 1.348 281 M HN 0.381 nan 8.290 nan 0.000 0.407 282 K N -0.062 120.308 120.400 -0.050 0.000 2.097 282 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 282 K C 1.987 178.582 176.600 -0.008 0.000 1.049 282 K CA 1.438 57.691 56.287 -0.057 0.000 0.933 282 K CB -0.269 32.189 32.500 -0.070 0.000 0.717 282 K HN 0.377 nan 8.250 nan 0.000 0.442 283 M N 0.619 120.208 119.600 -0.020 0.000 2.117 283 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 283 M C 2.096 178.411 176.300 0.025 0.000 1.065 283 M CA 1.727 57.013 55.300 -0.022 0.000 1.114 283 M CB -0.097 32.461 32.600 -0.071 0.000 1.361 283 M HN 0.159 nan 8.290 nan 0.000 0.408 284 A N -0.005 122.833 122.820 0.030 0.000 2.015 284 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 284 A C 1.877 179.507 177.584 0.077 0.000 1.163 284 A CA 1.450 53.527 52.037 0.066 0.000 0.646 284 A CB -0.585 18.465 19.000 0.084 0.000 0.806 284 A HN 0.656 nan 8.150 nan 0.000 0.448 285 M N -1.447 118.191 119.600 0.062 0.000 2.502 285 M HA 0.087 4.567 4.480 -0.000 0.000 0.243 285 M C 0.530 176.859 176.300 0.049 0.000 1.130 285 M CA -0.103 55.226 55.300 0.048 0.000 1.055 285 M CB 0.007 32.611 32.600 0.006 0.000 1.457 285 M HN 0.503 nan 8.290 nan 0.000 0.488 286 H N 0.576 119.639 119.070 -0.011 0.000 3.107 286 H HA 0.199 4.755 4.556 -0.000 0.000 0.301 286 H C 1.171 176.499 175.328 -0.001 0.000 0.981 286 H CA 1.565 57.605 56.048 -0.013 0.000 1.443 286 H CB 0.191 29.942 29.762 -0.018 0.000 1.479 286 H HN 0.473 nan 8.280 nan 0.000 0.564 287 G N 3.327 111.821 108.800 -0.510 0.000 2.184 287 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.264 287 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.264 287 G C -0.035 174.785 174.900 -0.134 0.000 0.975 287 G CA 0.291 45.184 45.100 -0.345 0.000 0.642 287 G HN 0.666 nan 8.290 nan 0.000 0.536 288 V N 2.423 122.290 119.914 -0.079 0.000 2.408 288 V HA 0.370 4.490 4.120 -0.000 0.000 0.267 288 V C 1.020 177.100 176.094 -0.023 0.000 1.047 288 V CA 0.342 62.627 62.300 -0.025 0.000 0.937 288 V CB 1.445 33.274 31.823 0.011 0.000 0.999 288 V HN 0.476 nan 8.190 nan 0.000 0.472 289 D N 2.569 122.957 120.400 -0.019 0.000 2.336 289 D HA 0.023 4.663 4.640 -0.000 0.000 0.228 289 D C 0.593 176.893 176.300 0.001 0.000 1.120 289 D CA -0.016 53.974 54.000 -0.016 0.000 0.839 289 D CB 0.128 40.915 40.800 -0.021 0.000 0.932 289 D HN 0.580 nan 8.370 nan 0.000 0.509 290 T N -2.844 111.718 114.554 0.013 0.000 2.916 290 T HA 0.618 4.968 4.350 -0.000 0.000 0.292 290 T C -2.841 171.885 174.700 0.043 0.000 1.055 290 T CA -1.739 60.375 62.100 0.023 0.000 1.009 290 T CB 2.130 71.010 68.868 0.021 0.000 1.118 290 T HN -0.188 nan 8.240 nan 0.000 0.497 291 P HA 0.330 nan 4.420 nan 0.000 0.274 291 P C -0.430 176.916 177.300 0.077 0.000 1.237 291 P CA -0.691 62.454 63.100 0.075 0.000 0.793 291 P CB 0.430 32.164 31.700 0.057 0.000 0.977 292 I N 2.910 123.549 120.570 0.115 0.000 2.436 292 I HA 0.002 4.172 4.170 -0.000 0.000 0.289 292 I C 1.312 177.421 176.117 -0.015 0.000 1.083 292 I CA 0.374 61.713 61.300 0.065 0.000 1.372 292 I CB -0.279 37.788 38.000 0.112 0.000 1.408 292 I HN 0.318 nan 8.210 nan 0.000 0.516 293 D N 5.066 125.475 120.400 0.015 0.000 2.183 293 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 293 D C 0.138 176.471 176.300 0.055 0.000 0.962 293 D CA 1.444 55.459 54.000 0.024 0.000 0.849 293 D CB 0.336 41.164 40.800 0.046 0.000 0.978 293 D HN 0.532 nan 8.370 nan 0.000 0.488 294 Y N 0.222 120.473 120.300 -0.082 0.000 2.470 294 Y HA 0.443 4.992 4.550 -0.000 0.000 0.341 294 Y C -1.989 173.861 175.900 -0.084 0.000 1.021 294 Y CA -1.369 56.676 58.100 -0.093 0.000 1.025 294 Y CB 1.488 39.894 38.460 -0.090 0.000 1.266 294 Y HN -0.256 nan 8.280 nan 0.000 0.448 295 L N 6.863 127.441 121.223 -1.075 0.000 2.349 295 L HA 0.478 4.818 4.340 -0.000 0.000 0.278 295 L C -1.232 175.027 176.870 -1.017 0.000 0.996 295 L CA -0.501 53.864 54.840 -0.791 0.000 0.825 295 L CB 1.393 43.202 42.059 -0.416 0.000 1.243 295 L HN 0.810 nan 8.230 nan 0.000 0.412 296 N N 3.180 121.487 118.700 -0.654 0.000 2.437 296 N HA 0.185 4.924 4.740 -0.000 0.000 0.243 296 N C -0.455 174.965 175.510 -0.149 0.000 1.041 296 N CA -0.071 52.827 53.050 -0.253 0.000 0.940 296 N CB 0.849 39.355 38.487 0.032 0.000 1.133 296 N HN 0.773 nan 8.380 nan 0.000 0.506 297 S N 2.591 118.239 115.700 -0.088 0.000 2.614 297 S HA 0.024 4.494 4.470 -0.000 0.000 0.265 297 S C 1.288 175.837 174.600 -0.084 0.000 1.303 297 S CA -0.309 57.869 58.200 -0.037 0.000 1.000 297 S CB 1.268 64.538 63.200 0.115 0.000 0.935 297 S HN 0.764 nan 8.310 nan 0.000 0.551 298 H N 1.826 120.769 119.070 -0.212 0.000 2.326 298 H HA 0.149 4.705 4.556 -0.000 0.000 0.301 298 H C 1.460 176.661 175.328 -0.212 0.000 1.081 298 H CA 1.269 57.150 56.048 -0.278 0.000 1.334 298 H CB -1.115 28.424 29.762 -0.372 0.000 1.385 298 H HN 1.029 nan 8.280 nan 0.000 0.504 299 G N 0.793 109.448 108.800 -0.242 0.000 2.629 299 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.334 299 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.334 299 G C 0.953 175.565 174.900 -0.480 0.000 0.169 299 G CA 0.999 45.892 45.100 -0.346 0.000 1.174 299 G HN 0.805 nan 8.290 nan 0.000 0.506 300 T N -1.079 113.192 114.554 -0.471 0.000 3.081 300 T HA 0.400 4.750 4.350 -0.000 0.000 0.250 300 T C 1.304 175.920 174.700 -0.140 0.000 1.100 300 T CA 0.961 62.822 62.100 -0.397 0.000 1.038 300 T CB 0.353 68.961 68.868 -0.433 0.000 0.962 300 T HN 1.750 nan 8.240 nan 0.000 0.516 301 S N 0.798 116.410 115.700 -0.146 0.000 3.619 301 S HA -0.125 4.344 4.470 -0.000 0.000 0.287 301 S C 0.211 174.828 174.600 0.028 0.000 1.222 301 S CA 0.550 58.707 58.200 -0.071 0.000 0.821 301 S CB -2.124 61.047 63.200 -0.047 0.000 0.985 301 S HN 1.221 nan 8.310 nan 0.000 0.611 302 T N -0.859 113.726 114.554 0.051 0.000 2.867 302 T HA 0.664 5.014 4.350 -0.000 0.000 0.282 302 T C -1.427 173.324 174.700 0.086 0.000 1.000 302 T CA -1.661 60.500 62.100 0.101 0.000 1.042 302 T CB 1.642 70.602 68.868 0.152 0.000 0.973 302 T HN -0.068 nan 8.240 nan 0.000 0.465 303 P HA -0.146 nan 4.420 nan 0.000 0.215 303 P C 1.669 179.021 177.300 0.088 0.000 1.163 303 P CA 0.728 63.874 63.100 0.077 0.000 0.894 303 P CB -0.034 31.707 31.700 0.069 0.000 0.791 304 V N -0.475 119.498 119.914 0.098 0.000 2.302 304 V HA -0.092 4.028 4.120 -0.000 0.000 0.243 304 V C 2.618 178.786 176.094 0.124 0.000 1.036 304 V CA 2.404 64.766 62.300 0.103 0.000 1.020 304 V CB -1.932 29.954 31.823 0.104 0.000 0.657 304 V HN 0.163 nan 8.190 nan 0.000 0.453 305 G N -0.112 108.776 108.800 0.147 0.000 2.440 305 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 305 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 305 G C 1.196 176.212 174.900 0.193 0.000 1.154 305 G CA 1.224 46.435 45.100 0.186 0.000 0.767 305 G HN 0.501 nan 8.290 nan 0.000 0.552 306 D N 0.042 120.535 120.400 0.156 0.000 2.097 306 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 306 D C 2.912 179.377 176.300 0.275 0.000 0.989 306 D CA 1.640 55.758 54.000 0.196 0.000 0.827 306 D CB -0.416 40.464 40.800 0.134 0.000 0.966 306 D HN 0.363 nan 8.370 nan 0.000 0.456 307 V N -1.723 118.306 119.914 0.191 0.000 2.788 307 V HA -0.056 4.064 4.120 -0.000 0.000 0.251 307 V C 2.170 178.334 176.094 0.117 0.000 1.068 307 V CA 0.710 63.097 62.300 0.145 0.000 1.090 307 V CB -0.490 31.393 31.823 0.101 0.000 0.710 307 V HN -0.061 nan 8.190 nan 0.000 0.467 308 K N 0.403 120.874 120.400 0.118 0.000 2.032 308 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 308 K C 2.231 178.893 176.600 0.103 0.000 1.048 308 K CA 2.033 58.374 56.287 0.090 0.000 0.927 308 K CB -0.724 31.826 32.500 0.084 0.000 0.712 308 K HN 0.884 nan 8.250 nan 0.000 0.441 309 E N 0.266 120.575 120.200 0.183 0.000 2.106 309 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 309 E C 2.099 178.814 176.600 0.192 0.000 0.984 309 E CA 1.169 57.717 56.400 0.247 0.000 0.806 309 E CB -0.121 29.819 29.700 0.401 0.000 0.750 309 E HN 0.336 nan 8.360 nan 0.000 0.458 310 L N 0.449 121.768 121.223 0.159 0.000 2.046 310 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 310 L C 2.717 179.622 176.870 0.058 0.000 1.077 310 L CA 1.115 55.996 54.840 0.068 0.000 0.747 310 L CB -0.561 41.495 42.059 -0.004 0.000 0.896 310 L HN 0.244 nan 8.230 nan 0.000 0.432 311 A N 0.015 122.870 122.820 0.058 0.000 1.933 311 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 311 A C 2.519 180.127 177.584 0.041 0.000 1.175 311 A CA 1.766 53.827 52.037 0.040 0.000 0.628 311 A CB -0.623 18.395 19.000 0.031 0.000 0.814 311 A HN 0.422 nan 8.150 nan 0.000 0.444 312 A N -0.119 122.729 122.820 0.047 0.000 1.898 312 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 312 A C 2.104 179.737 177.584 0.083 0.000 1.181 312 A CA 1.423 53.478 52.037 0.032 0.000 0.620 312 A CB -0.572 18.427 19.000 -0.003 0.000 0.819 312 A HN 0.493 nan 8.150 nan 0.000 0.442 313 I N -0.829 119.829 120.570 0.148 0.000 2.226 313 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 313 I C 2.785 179.050 176.117 0.246 0.000 1.100 313 I CA 1.365 62.819 61.300 0.256 0.000 1.374 313 I CB -0.335 37.783 38.000 0.197 0.000 1.057 313 I HN 0.295 nan 8.210 nan 0.000 0.413 314 R N 0.293 120.869 120.500 0.128 0.000 2.081 314 R HA -0.227 4.113 4.340 -0.000 0.000 0.235 314 R C 2.256 178.598 176.300 0.071 0.000 1.131 314 R CA 1.624 57.781 56.100 0.095 0.000 0.960 314 R CB -0.330 29.998 30.300 0.047 0.000 0.856 314 R HN 0.272 nan 8.270 nan 0.000 0.436 315 E N 0.697 120.920 120.200 0.038 0.000 2.077 315 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 315 E C 1.825 178.398 176.600 -0.046 0.000 0.989 315 E CA 1.280 57.677 56.400 -0.004 0.000 0.800 315 E CB -0.105 29.584 29.700 -0.018 0.000 0.746 315 E HN 0.047 nan 8.360 nan 0.000 0.452 316 V N -0.365 119.496 119.914 -0.087 0.000 2.358 316 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 316 V C 1.663 177.519 176.094 -0.397 0.000 1.047 316 V CA 1.794 63.908 62.300 -0.310 0.000 1.035 316 V CB -0.438 31.080 31.823 -0.509 0.000 0.658 316 V HN 0.249 nan 8.190 nan 0.000 0.452 317 F N -0.589 119.361 119.950 0.000 0.000 2.720 317 F HA 0.522 5.049 4.527 -0.000 0.000 0.301 317 F C 1.765 177.562 175.800 -0.004 0.000 1.103 317 F CA 0.447 58.446 58.000 -0.002 0.000 1.291 317 F CB -0.219 38.777 39.000 -0.006 0.000 1.086 317 F HN 0.244 nan 8.300 nan 0.000 0.592 318 G N 0.902 109.786 108.800 0.140 0.000 2.622 318 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.307 318 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.307 318 G C 0.689 175.640 174.900 0.085 0.000 1.226 318 G CA 0.746 45.895 45.100 0.083 0.000 0.997 318 G HN 0.248 nan 8.290 nan 0.000 0.551 319 D N 1.397 121.834 120.400 0.061 0.000 2.328 319 D HA 0.132 4.772 4.640 -0.000 0.000 0.226 319 D C 1.188 177.514 176.300 0.043 0.000 1.066 319 D CA 0.532 54.557 54.000 0.042 0.000 0.861 319 D CB 0.213 41.030 40.800 0.027 0.000 0.912 319 D HN 0.415 nan 8.370 nan 0.000 0.521 320 K N 0.768 121.214 120.400 0.075 0.000 3.147 320 K HA 0.129 4.449 4.320 -0.000 0.000 0.214 320 K C 0.009 176.627 176.600 0.031 0.000 1.221 320 K CA -0.218 56.106 56.287 0.062 0.000 1.117 320 K CB 1.011 33.561 32.500 0.084 0.000 1.278 320 K HN -0.166 nan 8.250 nan 0.000 0.479 321 S N 2.216 117.896 115.700 -0.032 0.000 2.573 321 S HA 0.052 4.522 4.470 -0.000 0.000 0.297 321 S C -1.994 172.432 174.600 -0.290 0.000 1.280 321 S CA -0.941 57.146 58.200 -0.188 0.000 1.061 321 S CB 0.268 63.393 63.200 -0.125 0.000 0.812 321 S HN 0.140 nan 8.310 nan 0.000 0.500 322 P HA 0.302 nan 4.420 nan 0.000 0.274 322 P C -0.971 176.193 177.300 -0.225 0.000 1.256 322 P CA -0.517 62.357 63.100 -0.375 0.000 0.795 322 P CB 0.230 31.612 31.700 -0.531 0.000 1.038 323 A N 1.487 124.245 122.820 -0.104 0.000 2.520 323 A HA 0.298 4.618 4.320 -0.000 0.000 0.245 323 A C 0.089 177.633 177.584 -0.067 0.000 1.072 323 A CA 0.352 52.383 52.037 -0.011 0.000 0.761 323 A CB -0.995 18.073 19.000 0.112 0.000 1.004 323 A HN 0.430 nan 8.150 nan 0.000 0.499 324 I N 2.060 122.598 120.570 -0.053 0.000 2.545 324 I HA 0.515 4.685 4.170 -0.000 0.000 0.292 324 I C 0.150 176.310 176.117 0.072 0.000 1.040 324 I CA -0.210 61.024 61.300 -0.111 0.000 1.068 324 I CB 2.457 40.383 38.000 -0.124 0.000 1.251 324 I HN 0.761 nan 8.210 nan 0.000 0.424 325 S N 3.705 119.477 115.700 0.120 0.000 2.556 325 S HA 0.842 5.312 4.470 -0.000 0.000 0.271 325 S C -0.908 173.783 174.600 0.152 0.000 1.135 325 S CA -0.860 57.461 58.200 0.202 0.000 0.858 325 S CB 2.039 65.383 63.200 0.239 0.000 1.114 325 S HN 0.748 nan 8.310 nan 0.000 0.468 326 A N 1.910 124.800 122.820 0.117 0.000 2.412 326 A HA 0.570 4.890 4.320 -0.000 0.000 0.334 326 A C 1.149 178.714 177.584 -0.031 0.000 1.419 326 A CA -0.242 51.787 52.037 -0.014 0.000 0.930 326 A CB -0.477 18.394 19.000 -0.214 0.000 1.149 326 A HN 1.252 nan 8.150 nan 0.000 0.515 327 T N -0.244 114.312 114.554 0.003 0.000 3.051 327 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 327 T C 1.344 176.006 174.700 -0.064 0.000 1.127 327 T CA 1.235 63.316 62.100 -0.033 0.000 1.107 327 T CB -0.298 68.554 68.868 -0.027 0.000 0.898 327 T HN 0.622 nan 8.240 nan 0.000 0.517 328 K N 1.093 121.443 120.400 -0.083 0.000 2.283 328 K HA 0.167 4.487 4.320 -0.000 0.000 0.202 328 K C 2.621 179.170 176.600 -0.086 0.000 1.048 328 K CA 0.854 57.083 56.287 -0.098 0.000 0.948 328 K CB -0.334 32.050 32.500 -0.194 0.000 0.742 328 K HN 0.490 nan 8.250 nan 0.000 0.458 329 A N 1.019 123.779 122.820 -0.101 0.000 2.019 329 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 329 A C 2.014 179.561 177.584 -0.061 0.000 1.164 329 A CA 1.355 53.341 52.037 -0.085 0.000 0.644 329 A CB -0.278 18.671 19.000 -0.085 0.000 0.805 329 A HN 0.194 nan 8.150 nan 0.000 0.449 330 M N -1.083 118.477 119.600 -0.066 0.000 2.325 330 M HA -0.049 4.431 4.480 -0.000 0.000 0.265 330 M C 2.232 178.501 176.300 -0.052 0.000 1.094 330 M CA 1.733 56.993 55.300 -0.066 0.000 1.161 330 M CB -0.094 32.443 32.600 -0.104 0.000 1.358 330 M HN 0.602 nan 8.290 nan 0.000 0.446 331 T N -2.706 111.818 114.554 -0.050 0.000 3.037 331 T HA 0.436 4.786 4.350 -0.000 0.000 0.251 331 T C 1.075 175.791 174.700 0.027 0.000 1.079 331 T CA 0.324 62.415 62.100 -0.016 0.000 1.067 331 T CB -0.053 68.828 68.868 0.021 0.000 0.948 331 T HN 0.532 nan 8.240 nan 0.000 0.496 332 G N 1.390 110.209 108.800 0.032 0.000 2.796 332 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.226 332 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.226 332 G C -0.772 174.186 174.900 0.098 0.000 1.381 332 G CA -0.213 44.937 45.100 0.083 0.000 0.867 332 G HN 0.850 nan 8.290 nan 0.000 0.552 333 H N 0.577 119.644 119.070 -0.006 0.000 2.623 333 H HA 0.602 5.158 4.556 -0.000 0.000 0.299 333 H C 1.470 176.731 175.328 -0.112 0.000 1.052 333 H CA -0.131 55.829 56.048 -0.146 0.000 1.231 333 H CB 0.638 30.148 29.762 -0.419 0.000 1.389 333 H HN 0.843 nan 8.280 nan 0.000 0.469 334 S N 4.853 120.635 115.700 0.138 0.000 2.660 334 S HA 0.165 4.635 4.470 -0.000 0.000 0.227 334 S C 1.196 175.755 174.600 -0.068 0.000 0.948 334 S CA -0.046 58.154 58.200 -0.000 0.000 0.948 334 S CB -0.610 62.598 63.200 0.014 0.000 0.779 334 S HN 0.726 nan 8.310 nan 0.000 0.487 335 L N -0.246 120.821 121.223 -0.260 0.000 5.323 335 L HA -0.342 3.998 4.340 -0.000 0.000 0.053 335 L C 2.247 179.107 176.870 -0.017 0.000 3.097 335 L CA 1.414 56.066 54.840 -0.314 0.000 1.447 335 L CB -2.042 39.846 42.059 -0.285 0.000 2.992 335 L HN 0.432 nan 8.230 nan 0.000 0.968 336 G N -1.055 107.755 108.800 0.016 0.000 2.462 336 G HA2 0.007 3.967 3.960 -0.000 0.000 0.220 336 G HA3 0.007 3.967 3.960 -0.000 0.000 0.220 336 G C 1.261 176.187 174.900 0.044 0.000 1.121 336 G CA 1.363 46.498 45.100 0.058 0.000 0.758 336 G HN 0.866 nan 8.290 nan 0.000 0.559 337 A N 0.324 123.162 122.820 0.029 0.000 2.218 337 A HA 0.635 4.955 4.320 -0.000 0.000 0.209 337 A C 2.549 180.121 177.584 -0.020 0.000 1.168 337 A CA 1.299 53.341 52.037 0.008 0.000 0.804 337 A CB -0.208 18.799 19.000 0.012 0.000 0.834 337 A HN 0.533 nan 8.150 nan 0.000 0.482 338 A N -0.011 122.818 122.820 0.014 0.000 1.930 338 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 338 A C 2.305 179.848 177.584 -0.067 0.000 1.175 338 A CA 1.777 53.816 52.037 0.003 0.000 0.627 338 A CB -1.175 17.883 19.000 0.097 0.000 0.815 338 A HN 0.631 nan 8.150 nan 0.000 0.443 339 G N -0.889 107.880 108.800 -0.051 0.000 2.421 339 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 339 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 339 G C 1.637 176.459 174.900 -0.130 0.000 1.171 339 G CA 1.266 46.313 45.100 -0.088 0.000 0.775 339 G HN 0.528 nan 8.290 nan 0.000 0.543 340 V N 0.071 119.911 119.914 -0.124 0.000 2.488 340 V HA -0.087 4.033 4.120 -0.000 0.000 0.246 340 V C 2.727 178.672 176.094 -0.249 0.000 1.046 340 V CA 2.329 64.536 62.300 -0.154 0.000 1.053 340 V CB -0.215 31.542 31.823 -0.110 0.000 0.679 340 V HN 0.490 nan 8.190 nan 0.000 0.458 341 Q N -0.353 119.270 119.800 -0.294 0.000 2.084 341 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 341 Q C 2.144 177.541 176.000 -1.005 0.000 0.978 341 Q CA 2.252 57.718 55.803 -0.562 0.000 0.844 341 Q CB -0.121 28.359 28.738 -0.430 0.000 0.898 341 Q HN 0.722 nan 8.270 nan 0.000 0.426 342 E N 0.218 120.066 120.200 -0.588 0.000 2.158 342 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 342 E C 1.912 178.379 176.600 -0.221 0.000 0.982 342 E CA 0.615 56.788 56.400 -0.378 0.000 0.823 342 E CB -0.020 29.615 29.700 -0.108 0.000 0.766 342 E HN 0.327 nan 8.360 nan 0.000 0.468 343 A N 1.232 123.924 122.820 -0.214 0.000 1.902 343 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 343 A C 2.152 179.637 177.584 -0.165 0.000 1.181 343 A CA 1.067 53.015 52.037 -0.147 0.000 0.623 343 A CB -0.537 18.377 19.000 -0.143 0.000 0.818 343 A HN 0.142 nan 8.150 nan 0.000 0.443 344 I N -1.488 118.926 120.570 -0.260 0.000 2.226 344 I HA -0.266 3.903 4.170 -0.000 0.000 0.245 344 I C 2.345 178.413 176.117 -0.082 0.000 1.100 344 I CA 1.243 62.409 61.300 -0.222 0.000 1.374 344 I CB -0.451 37.395 38.000 -0.256 0.000 1.057 344 I HN 0.386 nan 8.210 nan 0.000 0.413 345 Y N 0.814 121.091 120.300 -0.039 0.000 2.165 345 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 345 Y C 2.947 178.815 175.900 -0.053 0.000 1.155 345 Y CA 0.929 59.014 58.100 -0.026 0.000 1.164 345 Y CB -1.473 36.980 38.460 -0.011 0.000 0.978 345 Y HN 0.108 nan 8.280 nan 0.000 0.513 346 S N 0.149 115.919 115.700 0.117 0.000 2.368 346 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 346 S C 2.184 176.790 174.600 0.009 0.000 1.030 346 S CA 1.210 59.460 58.200 0.084 0.000 0.999 346 S CB -0.676 62.594 63.200 0.118 0.000 0.844 346 S HN 0.353 nan 8.310 nan 0.000 0.459 347 L N 0.916 122.131 121.223 -0.013 0.000 2.083 347 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 347 L C 2.195 179.091 176.870 0.044 0.000 1.083 347 L CA 0.953 55.778 54.840 -0.025 0.000 0.752 347 L CB -0.517 41.450 42.059 -0.153 0.000 0.899 347 L HN 0.287 nan 8.230 nan 0.000 0.433 348 L N -1.210 120.061 121.223 0.080 0.000 2.093 348 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 348 L C 2.624 179.625 176.870 0.219 0.000 1.085 348 L CA 1.174 56.171 54.840 0.261 0.000 0.755 348 L CB -0.324 41.908 42.059 0.289 0.000 0.904 348 L HN 0.289 nan 8.230 nan 0.000 0.435 349 M N -0.827 118.689 119.600 -0.140 0.000 2.117 349 M HA -0.232 4.248 4.480 -0.000 0.000 0.262 349 M C 2.298 178.460 176.300 -0.230 0.000 1.065 349 M CA 1.603 56.559 55.300 -0.572 0.000 1.114 349 M CB -0.316 31.772 32.600 -0.854 0.000 1.361 349 M HN 0.222 nan 8.290 nan 0.000 0.408 350 L N 0.526 121.694 121.223 -0.092 0.000 2.056 350 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 350 L C 2.231 179.110 176.870 0.015 0.000 1.078 350 L CA 1.995 56.822 54.840 -0.022 0.000 0.749 350 L CB -0.548 41.519 42.059 0.014 0.000 0.901 350 L HN 0.211 nan 8.230 nan 0.000 0.433 351 E N -1.414 118.815 120.200 0.049 0.000 2.107 351 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 351 E C 1.806 178.283 176.600 -0.205 0.000 0.982 351 E CA 1.442 57.814 56.400 -0.047 0.000 0.809 351 E CB -0.084 29.634 29.700 0.031 0.000 0.756 351 E HN 0.632 nan 8.360 nan 0.000 0.459 352 H N -1.394 117.786 119.070 0.184 0.000 2.586 352 H HA 0.278 4.834 4.556 -0.000 0.000 0.273 352 H C 0.608 176.084 175.328 0.247 0.000 0.997 352 H CA 0.577 56.762 56.048 0.228 0.000 1.177 352 H CB 0.819 30.765 29.762 0.306 0.000 1.471 352 H HN 0.272 nan 8.280 nan 0.000 0.538 353 G N 2.013 110.948 108.800 0.225 0.000 2.353 353 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.294 353 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.294 353 G C -0.280 174.758 174.900 0.230 0.000 1.077 353 G CA 0.642 45.828 45.100 0.145 0.000 1.098 353 G HN 0.465 nan 8.290 nan 0.000 0.511 354 F N -1.872 118.060 119.950 -0.030 0.000 2.686 354 F HA 0.841 5.368 4.527 -0.000 0.000 0.311 354 F C -0.805 174.897 175.800 -0.162 0.000 1.128 354 F CA -2.831 55.128 58.000 -0.067 0.000 0.946 354 F CB 1.105 40.077 39.000 -0.047 0.000 1.336 354 F HN 0.052 nan 8.300 nan 0.000 0.457 355 I N 2.554 122.983 120.570 -0.234 0.000 2.362 355 I HA 0.630 4.800 4.170 -0.000 0.000 0.289 355 I C 0.093 176.120 176.117 -0.151 0.000 0.994 355 I CA -1.039 59.997 61.300 -0.441 0.000 1.158 355 I CB 1.591 39.466 38.000 -0.209 0.000 1.315 355 I HN 0.963 nan 8.210 nan 0.000 0.451 356 A N 9.161 131.817 122.820 -0.273 0.000 2.425 356 A HA 0.517 4.837 4.320 -0.000 0.000 0.249 356 A C -2.341 175.266 177.584 0.039 0.000 1.084 356 A CA -1.098 50.962 52.037 0.037 0.000 0.781 356 A CB -0.299 18.703 19.000 0.003 0.000 1.019 356 A HN 0.430 nan 8.150 nan 0.000 0.490 357 P HA 0.120 nan 4.420 nan 0.000 0.278 357 P C -0.320 177.012 177.300 0.053 0.000 1.238 357 P CA -0.206 62.927 63.100 0.055 0.000 0.794 357 P CB 1.110 32.834 31.700 0.039 0.000 0.955 358 S N 2.341 118.085 115.700 0.073 0.000 2.411 358 S HA 0.349 4.819 4.470 -0.000 0.000 0.304 358 S C 0.607 175.236 174.600 0.049 0.000 1.098 358 S CA -0.730 57.515 58.200 0.075 0.000 1.068 358 S CB -1.370 61.920 63.200 0.150 0.000 1.032 358 S HN 0.332 nan 8.310 nan 0.000 0.511 359 I N 2.114 122.692 120.570 0.013 0.000 2.970 359 I HA 0.541 4.711 4.170 -0.000 0.000 0.310 359 I C 0.454 176.565 176.117 -0.010 0.000 1.010 359 I CA -0.600 60.700 61.300 0.000 0.000 1.228 359 I CB 0.467 38.458 38.000 -0.015 0.000 1.433 359 I HN 0.498 nan 8.210 nan 0.000 0.573 360 N N 1.249 119.941 118.700 -0.014 0.000 2.800 360 N HA -0.167 4.573 4.740 -0.000 0.000 0.250 360 N C -0.540 174.965 175.510 -0.008 0.000 1.078 360 N CA 0.997 54.029 53.050 -0.030 0.000 0.804 360 N CB -1.484 36.958 38.487 -0.074 0.000 1.135 360 N HN 0.642 nan 8.380 nan 0.000 0.565 361 I N 1.001 121.585 120.570 0.024 0.000 2.256 361 I HA 0.029 4.199 4.170 -0.000 0.000 0.294 361 I C 1.384 177.531 176.117 0.050 0.000 1.127 361 I CA -0.068 61.264 61.300 0.052 0.000 1.247 361 I CB 0.694 38.744 38.000 0.083 0.000 1.460 361 I HN -0.075 nan 8.210 nan 0.000 0.511 362 E N 3.387 123.621 120.200 0.056 0.000 2.122 362 E HA -0.034 4.316 4.350 -0.000 0.000 0.190 362 E C 0.540 177.186 176.600 0.076 0.000 0.977 362 E CA 0.638 57.075 56.400 0.061 0.000 0.820 362 E CB 0.309 30.047 29.700 0.064 0.000 0.770 362 E HN 0.704 nan 8.360 nan 0.000 0.462 363 E N 0.272 120.531 120.200 0.099 0.000 2.255 363 E HA 0.239 4.589 4.350 -0.000 0.000 0.256 363 E C -1.006 175.636 176.600 0.070 0.000 0.887 363 E CA -0.323 56.132 56.400 0.091 0.000 0.782 363 E CB 0.976 30.756 29.700 0.134 0.000 1.214 363 E HN 0.110 nan 8.360 nan 0.000 0.417 364 L N 3.903 125.158 121.223 0.053 0.000 2.453 364 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 364 L C 0.375 177.266 176.870 0.034 0.000 1.182 364 L CA 0.484 55.353 54.840 0.048 0.000 0.858 364 L CB 0.759 42.834 42.059 0.026 0.000 1.120 364 L HN 0.783 nan 8.230 nan 0.000 0.474 365 D N 2.421 122.848 120.400 0.045 0.000 2.488 365 D HA -0.116 4.524 4.640 -0.000 0.000 0.238 365 D C 1.143 177.450 176.300 0.012 0.000 1.138 365 D CA 0.480 54.497 54.000 0.029 0.000 0.873 365 D CB 1.257 42.093 40.800 0.061 0.000 1.183 365 D HN 0.646 nan 8.370 nan 0.000 0.458 366 E N 2.617 122.819 120.200 0.004 0.000 2.331 366 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 366 E C 0.908 177.510 176.600 0.004 0.000 1.008 366 E CA 1.143 57.545 56.400 0.003 0.000 0.843 366 E CB -0.260 29.441 29.700 0.002 0.000 0.761 366 E HN 0.589 nan 8.360 nan 0.000 0.507 367 Q N -0.895 118.910 119.800 0.008 0.000 2.188 367 Q HA 0.475 4.815 4.340 -0.000 0.000 0.212 367 Q C 1.017 177.013 176.000 -0.007 0.000 0.846 367 Q CA 0.632 56.439 55.803 0.007 0.000 0.989 367 Q CB 1.234 29.984 28.738 0.021 0.000 1.114 367 Q HN 0.618 nan 8.270 nan 0.000 0.488 368 A N -0.223 122.582 122.820 -0.025 0.000 2.535 368 A HA 0.567 4.887 4.320 -0.000 0.000 0.273 368 A C 0.747 178.286 177.584 -0.076 0.000 1.267 368 A CA -0.080 51.910 52.037 -0.077 0.000 0.940 368 A CB 0.262 19.192 19.000 -0.118 0.000 1.101 368 A HN 0.178 nan 8.150 nan 0.000 0.521 369 A N -1.115 121.680 122.820 -0.041 0.000 2.351 369 A HA 0.512 4.832 4.320 -0.000 0.000 0.257 369 A C 1.474 179.038 177.584 -0.034 0.000 1.087 369 A CA 0.456 52.474 52.037 -0.033 0.000 0.798 369 A CB -0.289 18.701 19.000 -0.016 0.000 1.033 369 A HN 1.894 nan 8.150 nan 0.000 0.488 370 G N -0.289 108.492 108.800 -0.030 0.000 2.136 370 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.242 370 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.242 370 G C -0.095 174.785 174.900 -0.033 0.000 0.989 370 G CA 0.577 45.663 45.100 -0.024 0.000 0.682 370 G HN 0.753 nan 8.290 nan 0.000 0.522 371 L N -0.977 120.212 121.223 -0.057 0.000 2.271 371 L HA 0.617 4.957 4.340 -0.000 0.000 0.265 371 L C 0.209 177.033 176.870 -0.076 0.000 1.013 371 L CA -1.315 53.479 54.840 -0.076 0.000 0.820 371 L CB 1.524 43.515 42.059 -0.114 0.000 1.352 371 L HN 0.036 nan 8.230 nan 0.000 0.443 372 N N 1.409 120.058 118.700 -0.085 0.000 2.955 372 N HA 0.350 5.090 4.740 -0.000 0.000 0.242 372 N C -1.026 174.446 175.510 -0.063 0.000 1.123 372 N CA -0.212 52.800 53.050 -0.063 0.000 0.949 372 N CB -0.078 38.377 38.487 -0.053 0.000 1.214 372 N HN 0.385 nan 8.380 nan 0.000 0.504 373 I N 2.104 122.633 120.570 -0.069 0.000 2.322 373 I HA 0.144 4.314 4.170 -0.000 0.000 0.292 373 I C 0.005 176.130 176.117 0.012 0.000 1.060 373 I CA -0.726 60.547 61.300 -0.046 0.000 1.309 373 I CB 1.000 38.938 38.000 -0.102 0.000 1.415 373 I HN -0.019 nan 8.210 nan 0.000 0.492 374 V N 6.015 125.959 119.914 0.049 0.000 2.406 374 V HA 0.113 4.233 4.120 -0.000 0.000 0.272 374 V C 1.154 177.287 176.094 0.065 0.000 1.043 374 V CA -0.005 62.329 62.300 0.057 0.000 0.915 374 V CB 1.182 33.050 31.823 0.076 0.000 0.988 374 V HN 0.920 nan 8.190 nan 0.000 0.466 375 T N -0.120 114.464 114.554 0.049 0.000 3.044 375 T HA 0.154 4.504 4.350 -0.000 0.000 0.260 375 T C 0.225 174.947 174.700 0.036 0.000 1.019 375 T CA 0.351 62.479 62.100 0.047 0.000 0.921 375 T CB 0.204 69.097 68.868 0.041 0.000 1.053 375 T HN 0.692 nan 8.240 nan 0.000 0.533 376 E N 0.265 120.487 120.200 0.036 0.000 2.293 376 E HA 0.501 4.851 4.350 -0.000 0.000 0.270 376 E C -0.826 175.799 176.600 0.042 0.000 0.879 376 E CA -0.903 55.516 56.400 0.031 0.000 0.756 376 E CB 0.494 30.207 29.700 0.022 0.000 1.208 376 E HN 0.247 nan 8.360 nan 0.000 0.428 377 T N 2.811 117.392 114.554 0.044 0.000 2.866 377 T HA 0.212 4.562 4.350 -0.000 0.000 0.293 377 T C -0.211 174.531 174.700 0.071 0.000 1.005 377 T CA 0.575 62.720 62.100 0.075 0.000 1.162 377 T CB 0.076 68.971 68.868 0.045 0.000 0.968 377 T HN 0.659 nan 8.240 nan 0.000 0.530 378 T N 4.083 118.698 114.554 0.102 0.000 2.890 378 T HA 0.218 4.568 4.350 -0.000 0.000 0.295 378 T C -0.515 174.248 174.700 0.104 0.000 0.993 378 T CA -0.905 61.239 62.100 0.073 0.000 0.979 378 T CB 1.047 69.942 68.868 0.046 0.000 0.967 378 T HN 0.447 nan 8.240 nan 0.000 0.441 379 D N 2.991 123.444 120.400 0.089 0.000 2.390 379 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 379 D C 0.398 176.738 176.300 0.066 0.000 1.144 379 D CA 0.296 54.357 54.000 0.101 0.000 0.880 379 D CB 0.847 41.687 40.800 0.066 0.000 1.182 379 D HN 0.404 nan 8.370 nan 0.000 0.451 380 R N 0.484 121.023 120.500 0.065 0.000 2.633 380 R HA 0.083 4.423 4.340 -0.000 0.000 0.255 380 R C -1.404 174.913 176.300 0.028 0.000 1.106 380 R CA -0.561 55.559 56.100 0.034 0.000 0.959 380 R CB 1.240 31.550 30.300 0.017 0.000 1.259 380 R HN 0.239 nan 8.270 nan 0.000 0.453 381 E N 5.416 125.630 120.200 0.024 0.000 2.328 381 E HA 0.204 4.554 4.350 -0.000 0.000 0.265 381 E C -0.724 175.883 176.600 0.011 0.000 1.057 381 E CA 0.013 56.425 56.400 0.019 0.000 0.916 381 E CB 0.174 29.885 29.700 0.018 0.000 0.993 381 E HN 0.397 nan 8.360 nan 0.000 0.446 382 L N 4.053 125.279 121.223 0.004 0.000 2.334 382 L HA 0.540 4.880 4.340 -0.000 0.000 0.272 382 L C 1.326 178.203 176.870 0.011 0.000 1.020 382 L CA -0.701 54.142 54.840 0.005 0.000 0.812 382 L CB 2.267 44.317 42.059 -0.015 0.000 1.264 382 L HN 0.598 nan 8.230 nan 0.000 0.439 383 T N -1.568 112.998 114.554 0.019 0.000 3.075 383 T HA 0.104 4.453 4.350 -0.000 0.000 0.251 383 T C 0.204 174.920 174.700 0.026 0.000 0.979 383 T CA 0.308 62.419 62.100 0.019 0.000 1.033 383 T CB 0.702 69.579 68.868 0.016 0.000 1.104 383 T HN 0.592 nan 8.240 nan 0.000 0.473 384 T N 2.801 117.378 114.554 0.037 0.000 2.879 384 T HA 0.681 5.031 4.350 -0.000 0.000 0.290 384 T C -0.852 173.885 174.700 0.062 0.000 0.993 384 T CA -0.696 61.431 62.100 0.045 0.000 0.975 384 T CB 2.073 70.968 68.868 0.045 0.000 0.981 384 T HN 0.230 nan 8.240 nan 0.000 0.439 385 V N 1.137 121.092 119.914 0.068 0.000 2.914 385 V HA 0.900 5.020 4.120 -0.000 0.000 0.314 385 V C -0.761 175.365 176.094 0.052 0.000 1.084 385 V CA -1.281 61.074 62.300 0.092 0.000 0.963 385 V CB 2.197 34.121 31.823 0.167 0.000 1.025 385 V HN 0.994 nan 8.190 nan 0.000 0.432 386 M N 3.022 122.624 119.600 0.004 0.000 2.457 386 M HA 0.773 5.252 4.480 -0.000 0.000 0.300 386 M C -1.103 175.162 176.300 -0.058 0.000 1.141 386 M CA -0.268 55.031 55.300 -0.003 0.000 0.901 386 M CB 2.191 34.811 32.600 0.034 0.000 1.687 386 M HN 1.012 nan 8.290 nan 0.000 0.449 387 S N 3.165 118.839 115.700 -0.043 0.000 2.594 387 S HA 0.600 5.070 4.470 -0.000 0.000 0.296 387 S C -1.450 173.074 174.600 -0.128 0.000 1.124 387 S CA -0.762 57.388 58.200 -0.084 0.000 1.011 387 S CB 1.065 64.229 63.200 -0.061 0.000 1.016 387 S HN 0.856 nan 8.310 nan 0.000 0.485 388 N N 2.166 120.733 118.700 -0.221 0.000 2.443 388 N HA 0.549 5.289 4.740 -0.000 0.000 0.295 388 N C -1.330 173.836 175.510 -0.574 0.000 1.076 388 N CA -0.388 52.367 53.050 -0.493 0.000 0.919 388 N CB 1.823 39.862 38.487 -0.747 0.000 1.176 388 N HN 0.501 nan 8.380 nan 0.000 0.487 389 S N 1.618 116.903 115.700 -0.691 0.000 2.779 389 S HA 0.492 4.962 4.470 -0.000 0.000 0.293 389 S C -1.293 173.035 174.600 -0.453 0.000 1.150 389 S CA -0.591 57.354 58.200 -0.425 0.000 1.057 389 S CB 0.257 63.343 63.200 -0.191 0.000 1.021 389 S HN 0.279 nan 8.310 nan 0.000 0.485 390 F N 1.943 121.542 119.950 -0.585 0.000 2.434 390 F HA 0.539 5.066 4.527 -0.000 0.000 0.367 390 F C 0.885 176.448 175.800 -0.395 0.000 1.093 390 F CA -1.202 56.493 58.000 -0.509 0.000 1.085 390 F CB 0.984 39.672 39.000 -0.520 0.000 1.322 390 F HN 0.626 nan 8.300 nan 0.000 0.452 391 G N 1.539 110.401 108.800 0.103 0.000 2.444 391 G HA2 0.299 4.259 3.960 -0.000 0.000 0.268 391 G HA3 0.299 4.259 3.960 -0.000 0.000 0.268 391 G C -0.656 174.416 174.900 0.287 0.000 1.203 391 G CA -0.407 44.818 45.100 0.208 0.000 0.835 391 G HN 0.346 nan 8.290 nan 0.000 0.543 392 F N 1.093 121.142 119.950 0.165 0.000 2.635 392 F HA 0.307 4.834 4.527 -0.000 0.000 0.379 392 F C 1.496 177.368 175.800 0.120 0.000 1.094 392 F CA 1.256 59.353 58.000 0.161 0.000 1.300 392 F CB 0.670 39.797 39.000 0.211 0.000 1.035 392 F HN 1.049 nan 8.300 nan 0.000 0.581 393 G N 2.677 111.319 108.800 -0.263 0.000 2.157 393 G HA2 0.023 3.983 3.960 -0.000 0.000 0.248 393 G HA3 0.023 3.983 3.960 -0.000 0.000 0.248 393 G C 0.929 175.791 174.900 -0.063 0.000 0.979 393 G CA 0.519 45.488 45.100 -0.218 0.000 0.650 393 G HN 2.203 nan 8.290 nan 0.000 0.529 394 G N -1.273 107.530 108.800 0.005 0.000 2.225 394 G HA2 0.117 4.077 3.960 -0.000 0.000 0.264 394 G HA3 0.117 4.077 3.960 -0.000 0.000 0.264 394 G C 0.315 175.235 174.900 0.034 0.000 1.060 394 G CA 1.352 46.459 45.100 0.012 0.000 0.833 394 G HN 2.039 nan 8.290 nan 0.000 0.498 395 T N 0.286 114.894 114.554 0.091 0.000 2.770 395 T HA 0.594 4.944 4.350 -0.000 0.000 0.283 395 T C -0.167 174.671 174.700 0.229 0.000 0.988 395 T CA -0.659 61.532 62.100 0.152 0.000 0.957 395 T CB 0.424 69.397 68.868 0.175 0.000 0.930 395 T HN 0.288 nan 8.240 nan 0.000 0.443 396 N N 3.029 121.876 118.700 0.244 0.000 2.321 396 N HA 0.721 5.461 4.740 -0.000 0.000 0.299 396 N C -1.185 174.461 175.510 0.227 0.000 1.048 396 N CA -0.598 52.626 53.050 0.290 0.000 0.836 396 N CB 2.099 40.704 38.487 0.197 0.000 1.269 396 N HN 0.762 nan 8.380 nan 0.000 0.486 397 A N 0.817 123.690 122.820 0.088 0.000 2.422 397 A HA 0.771 5.091 4.320 -0.000 0.000 0.302 397 A C -0.763 176.833 177.584 0.021 0.000 1.041 397 A CA -0.494 51.517 52.037 -0.044 0.000 0.708 397 A CB 1.359 20.093 19.000 -0.444 0.000 1.257 397 A HN 0.451 nan 8.150 nan 0.000 0.414 398 T N 2.190 116.804 114.554 0.100 0.000 2.916 398 T HA 0.601 4.951 4.350 -0.000 0.000 0.298 398 T C -0.870 173.911 174.700 0.134 0.000 1.031 398 T CA -0.244 61.902 62.100 0.077 0.000 0.993 398 T CB 0.939 69.878 68.868 0.120 0.000 1.045 398 T HN 0.497 nan 8.240 nan 0.000 0.454 399 L N 2.688 123.953 121.223 0.070 0.000 2.346 399 L HA 0.777 5.117 4.340 -0.000 0.000 0.276 399 L C -0.771 176.132 176.870 0.056 0.000 1.006 399 L CA -1.121 53.765 54.840 0.075 0.000 0.817 399 L CB 1.979 44.041 42.059 0.006 0.000 1.272 399 L HN 0.327 nan 8.230 nan 0.000 0.421 400 V N 3.942 123.898 119.914 0.070 0.000 2.448 400 V HA 0.533 4.653 4.120 -0.000 0.000 0.295 400 V C -0.110 176.010 176.094 0.043 0.000 1.025 400 V CA -0.369 61.967 62.300 0.059 0.000 0.859 400 V CB 1.850 33.717 31.823 0.073 0.000 0.988 400 V HN 0.715 nan 8.190 nan 0.000 0.431 401 M N 4.972 124.594 119.600 0.035 0.000 2.395 401 M HA 0.661 5.141 4.480 -0.000 0.000 0.307 401 M C -0.641 175.677 176.300 0.030 0.000 1.091 401 M CA -0.510 54.805 55.300 0.025 0.000 0.919 401 M CB 2.811 35.419 32.600 0.015 0.000 1.662 401 M HN 0.589 nan 8.290 nan 0.000 0.440 402 R N 1.524 122.038 120.500 0.023 0.000 2.651 402 R HA 0.454 4.794 4.340 -0.000 0.000 0.278 402 R C -1.159 175.148 176.300 0.011 0.000 1.010 402 R CA -0.788 55.324 56.100 0.020 0.000 0.896 402 R CB 2.174 32.485 30.300 0.019 0.000 1.211 402 R HN 0.640 nan 8.270 nan 0.000 0.456 403 K N 2.809 123.214 120.400 0.008 0.000 2.469 403 K HA 0.040 4.360 4.320 -0.000 0.000 0.274 403 K C 0.223 176.816 176.600 -0.013 0.000 0.983 403 K CA 0.163 56.447 56.287 -0.005 0.000 0.974 403 K CB 0.492 32.988 32.500 -0.007 0.000 0.913 403 K HN 0.407 nan 8.250 nan 0.000 0.493 404 L N 0.000 121.207 121.223 -0.027 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 404 L CA 0.000 54.823 54.840 -0.029 0.000 0.813 404 L CB 0.000 42.033 42.059 -0.044 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502