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 1h6v_1_E DATA FIRST_RESID 9 DATA SEQUENCE KSYDFDLIII GGGSGGLAAA KEAAKFDKKV MVLDFVTPTP LGTNWGLGGT DATA SEQUENCE cVNVGcIPKK LMHQAALLGQ ALKDSRNYGW KLEDTVKHDW EKMTESVQNH DATA SEQUENCE IGSLNWGYRV ALREKKVVYE NAYGKFIGPH KIMATNNKGK EKVYSAERFL DATA SEQUENCE IATGERPRYL GIPGDKEYCI SSDDLFSLPY CPGKTLVVGA SYVALECAGF DATA SEQUENCE LAGIGLDVTV MVRSILLRGF DQDMANKIGE HMEEHGIKFI RQFVPTKIEQ DATA SEQUENCE IEAGTPGRLK VTAKSTNSEE TIEDEFNTVL LAVGRDSCTR TIGLETVGVK DATA SEQUENCE INEKTGKIPV TDEEQTNVPY IYAIGDILEG KLELTPVAIQ AGRLLAQRLY DATA SEQUENCE GGSTVKCDYD NVPTTVFTPL EYGCCGLSEE KAVEKFGEEN IEVYHSFFWP DATA SEQUENCE LEWTVPSRDN NKCYAKVICN LKDNERVVGF HVLGPNAGEV TQGFAAALKC DATA SEQUENCE GLTKQQLDST IGIHPVCAEI FTTLSVTKRS GGDILQSGCC G 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.444 176.600 -0.260 0.000 0.988 9 K CA 0.000 56.125 56.287 -0.270 0.000 0.838 9 K CB 0.000 32.266 32.500 -0.390 0.000 1.064 10 S N 0.719 116.276 115.700 -0.239 0.000 2.404 10 S HA 0.408 4.880 4.470 0.004 0.000 0.309 10 S C -0.612 173.868 174.600 -0.201 0.000 1.076 10 S CA -0.707 57.416 58.200 -0.128 0.000 1.095 10 S CB -0.517 62.638 63.200 -0.076 0.000 0.972 10 S HN 0.373 nan 8.310 nan 0.000 0.484 11 Y N 1.642 121.918 120.300 -0.040 0.000 2.281 11 Y HA 0.207 4.760 4.550 0.004 0.000 0.337 11 Y C 1.613 177.480 175.900 -0.056 0.000 1.304 11 Y CA -0.596 57.496 58.100 -0.012 0.000 1.465 11 Y CB 0.431 38.908 38.460 0.027 0.000 1.350 11 Y HN 0.550 nan 8.280 nan 0.000 0.575 12 D N 0.133 120.588 120.400 0.092 0.000 2.178 12 D HA -0.077 4.565 4.640 0.004 0.000 0.202 12 D C -0.232 175.783 176.300 -0.474 0.000 0.974 12 D CA 1.565 55.419 54.000 -0.243 0.000 0.841 12 D CB 0.036 40.664 40.800 -0.286 0.000 0.953 12 D HN 0.207 nan 8.370 nan 0.000 0.478 13 F N -0.166 119.841 119.950 0.094 0.000 2.664 13 F HA 0.257 4.786 4.527 0.004 0.000 0.329 13 F C 1.234 177.017 175.800 -0.029 0.000 1.090 13 F CA -1.031 56.969 58.000 -0.000 0.000 0.978 13 F CB 1.329 40.291 39.000 -0.063 0.000 1.378 13 F HN -0.390 nan 8.300 nan 0.000 0.495 14 D N 0.088 120.582 120.400 0.158 0.000 2.277 14 D HA 0.131 4.774 4.640 0.004 0.000 0.209 14 D C -0.419 175.893 176.300 0.020 0.000 0.970 14 D CA 1.066 55.087 54.000 0.033 0.000 0.874 14 D CB 1.099 41.853 40.800 -0.076 0.000 0.982 14 D HN 0.123 nan 8.370 nan 0.000 0.504 15 L N 0.888 122.120 121.223 0.015 0.000 2.543 15 L HA 0.410 4.753 4.340 0.004 0.000 0.265 15 L C -1.805 174.961 176.870 -0.173 0.000 0.945 15 L CA -0.427 54.386 54.840 -0.046 0.000 0.869 15 L CB 2.444 44.566 42.059 0.104 0.000 1.294 15 L HN -0.236 nan 8.230 nan 0.000 0.405 16 I N 5.540 125.928 120.570 -0.302 0.000 2.441 16 I HA 0.478 4.651 4.170 0.004 0.000 0.295 16 I C -0.703 175.411 176.117 -0.006 0.000 0.994 16 I CA -0.604 60.544 61.300 -0.253 0.000 1.144 16 I CB 1.939 39.812 38.000 -0.212 0.000 1.314 16 I HN 0.523 nan 8.210 nan 0.000 0.445 17 I N 7.031 127.585 120.570 -0.027 0.000 2.389 17 I HA 0.356 4.528 4.170 0.004 0.000 0.288 17 I C -0.340 175.783 176.117 0.010 0.000 0.999 17 I CA -0.478 60.841 61.300 0.030 0.000 1.129 17 I CB 1.647 39.646 38.000 -0.003 0.000 1.288 17 I HN 0.356 nan 8.210 nan 0.000 0.444 18 I N 6.454 127.039 120.570 0.025 0.000 2.269 18 I HA 0.525 4.697 4.170 0.004 0.000 0.293 18 I C 0.509 176.594 176.117 -0.053 0.000 1.106 18 I CA -0.096 61.169 61.300 -0.057 0.000 1.248 18 I CB 0.412 38.339 38.000 -0.122 0.000 1.444 18 I HN 0.809 nan 8.210 nan 0.000 0.497 19 G N 3.339 112.108 108.800 -0.052 0.000 3.088 19 G HA2 0.102 4.064 3.960 0.004 0.000 0.620 19 G HA3 0.102 4.064 3.960 0.004 0.000 0.620 19 G C -0.138 174.740 174.900 -0.036 0.000 1.375 19 G CA -0.621 44.455 45.100 -0.041 0.000 1.016 19 G HN 0.760 nan 8.290 nan 0.000 0.590 20 G N 0.544 109.320 108.800 -0.040 0.000 4.084 20 G HA2 0.645 4.608 3.960 0.004 0.000 0.293 20 G HA3 0.645 4.608 3.960 0.004 0.000 0.293 20 G C 0.839 175.651 174.900 -0.147 0.000 1.303 20 G CA 0.903 45.943 45.100 -0.100 0.000 1.289 20 G HN 1.162 nan 8.290 nan 0.000 0.609 21 G N -0.117 108.626 108.800 -0.096 0.000 2.641 21 G HA2 0.352 4.314 3.960 0.004 0.000 0.239 21 G HA3 0.352 4.314 3.960 0.004 0.000 0.239 21 G C 1.196 176.031 174.900 -0.109 0.000 1.402 21 G CA 0.285 45.330 45.100 -0.092 0.000 1.046 21 G HN 0.156 nan 8.290 nan 0.000 0.565 22 S N -0.533 115.133 115.700 -0.058 0.000 2.359 22 S HA -0.104 4.368 4.470 0.004 0.000 0.224 22 S C 2.401 176.987 174.600 -0.022 0.000 1.035 22 S CA 1.849 60.027 58.200 -0.036 0.000 1.018 22 S CB -0.589 62.612 63.200 0.002 0.000 0.876 22 S HN 0.734 nan 8.310 nan 0.000 0.448 23 G N 0.549 109.345 108.800 -0.006 0.000 2.396 23 G HA2 0.088 4.050 3.960 0.004 0.000 0.214 23 G HA3 0.088 4.050 3.960 0.004 0.000 0.214 23 G C 1.405 176.301 174.900 -0.007 0.000 1.166 23 G CA 0.791 45.894 45.100 0.006 0.000 0.793 23 G HN 0.552 nan 8.290 nan 0.000 0.533 24 G N 1.320 110.107 108.800 -0.022 0.000 2.511 24 G HA2 -0.193 3.770 3.960 0.004 0.000 0.216 24 G HA3 -0.193 3.770 3.960 0.004 0.000 0.216 24 G C 1.793 176.668 174.900 -0.042 0.000 1.218 24 G CA 0.858 45.942 45.100 -0.027 0.000 0.788 24 G HN 0.381 nan 8.290 nan 0.000 0.560 25 L N 0.917 122.089 121.223 -0.085 0.000 2.127 25 L HA -0.109 4.233 4.340 0.004 0.000 0.211 25 L C 3.405 180.261 176.870 -0.023 0.000 1.089 25 L CA 0.987 55.773 54.840 -0.090 0.000 0.757 25 L CB -0.424 41.515 42.059 -0.200 0.000 0.899 25 L HN 0.333 nan 8.230 nan 0.000 0.434 26 A N 0.142 122.955 122.820 -0.012 0.000 1.858 26 A HA -0.172 4.150 4.320 0.004 0.000 0.216 26 A C 2.580 180.176 177.584 0.021 0.000 1.190 26 A CA 1.742 53.787 52.037 0.014 0.000 0.617 26 A CB -0.810 18.196 19.000 0.011 0.000 0.827 26 A HN 0.382 nan 8.150 nan 0.000 0.443 27 A N -0.118 122.709 122.820 0.012 0.000 1.908 27 A HA 0.091 4.413 4.320 0.004 0.000 0.218 27 A C 2.509 180.121 177.584 0.046 0.000 1.181 27 A CA 2.353 54.403 52.037 0.020 0.000 0.627 27 A CB -1.087 17.918 19.000 0.009 0.000 0.818 27 A HN 1.105 nan 8.150 nan 0.000 0.445 28 A N 0.799 123.637 122.820 0.030 0.000 1.865 28 A HA -0.233 4.090 4.320 0.004 0.000 0.217 28 A C 2.157 179.776 177.584 0.057 0.000 1.191 28 A CA 2.339 54.396 52.037 0.034 0.000 0.623 28 A CB -0.615 18.385 19.000 0.001 0.000 0.826 28 A HN 0.714 nan 8.150 nan 0.000 0.444 29 K N -1.081 119.348 120.400 0.049 0.000 2.103 29 K HA -0.210 4.113 4.320 0.004 0.000 0.207 29 K C 1.677 178.327 176.600 0.083 0.000 1.048 29 K CA 1.749 58.070 56.287 0.057 0.000 0.930 29 K CB -0.208 32.322 32.500 0.051 0.000 0.716 29 K HN 0.347 nan 8.250 nan 0.000 0.444 30 E N 0.997 121.261 120.200 0.107 0.000 2.016 30 E HA -0.070 4.283 4.350 0.004 0.000 0.190 30 E C 2.232 179.007 176.600 0.291 0.000 0.985 30 E CA 1.229 57.737 56.400 0.180 0.000 0.802 30 E CB -0.580 29.221 29.700 0.169 0.000 0.762 30 E HN 0.440 nan 8.360 nan 0.000 0.448 31 A N 1.772 124.744 122.820 0.254 0.000 1.929 31 A HA -0.301 4.022 4.320 0.004 0.000 0.221 31 A C 2.413 180.182 177.584 0.309 0.000 1.211 31 A CA 2.979 55.225 52.037 0.347 0.000 0.657 31 A CB -0.924 18.240 19.000 0.274 0.000 0.827 31 A HN 0.306 nan 8.150 nan 0.000 0.462 32 A N -0.864 122.063 122.820 0.177 0.000 2.076 32 A HA -0.175 4.148 4.320 0.004 0.000 0.220 32 A C 2.009 179.642 177.584 0.082 0.000 1.160 32 A CA 1.827 53.926 52.037 0.104 0.000 0.653 32 A CB -0.451 18.587 19.000 0.063 0.000 0.801 32 A HN 0.618 nan 8.150 nan 0.000 0.455 33 K N -1.463 118.991 120.400 0.090 0.000 2.283 33 K HA -0.069 4.254 4.320 0.004 0.000 0.202 33 K C 0.059 176.480 176.600 -0.299 0.000 1.048 33 K CA 0.990 57.188 56.287 -0.148 0.000 0.948 33 K CB -0.165 32.136 32.500 -0.331 0.000 0.742 33 K HN 0.582 nan 8.250 nan 0.000 0.458 34 F N 1.124 121.080 119.950 0.011 0.000 2.668 34 F HA 0.110 4.640 4.527 0.004 0.000 0.297 34 F C -0.051 175.718 175.800 -0.052 0.000 1.124 34 F CA -0.732 57.266 58.000 -0.004 0.000 1.353 34 F CB -0.195 38.828 39.000 0.038 0.000 0.992 34 F HN -0.003 nan 8.300 nan 0.000 0.524 35 D N 2.542 122.980 120.400 0.063 0.000 3.617 35 D HA -0.204 4.439 4.640 0.004 0.000 0.226 35 D C -0.529 175.759 176.300 -0.019 0.000 1.125 35 D CA 0.712 54.722 54.000 0.017 0.000 1.083 35 D CB -0.004 40.800 40.800 0.008 0.000 0.833 35 D HN 0.110 nan 8.370 nan 0.000 0.399 36 K N 2.124 122.496 120.400 -0.048 0.000 2.502 36 K HA 0.348 4.671 4.320 0.004 0.000 0.257 36 K C -0.333 176.243 176.600 -0.040 0.000 0.938 36 K CA -0.752 55.459 56.287 -0.126 0.000 0.819 36 K CB 1.441 33.716 32.500 -0.376 0.000 1.333 36 K HN 0.156 nan 8.250 nan 0.000 0.434 37 K N 1.273 121.674 120.400 0.002 0.000 2.316 37 K HA 0.306 4.629 4.320 0.004 0.000 0.289 37 K C 0.308 177.020 176.600 0.187 0.000 1.070 37 K CA -0.528 55.830 56.287 0.118 0.000 0.928 37 K CB 0.715 33.288 32.500 0.122 0.000 1.039 37 K HN 0.402 nan 8.250 nan 0.000 0.480 38 V N 1.055 121.047 119.914 0.130 0.000 3.001 38 V HA 0.733 4.856 4.120 0.004 0.000 0.314 38 V C -0.975 175.015 176.094 -0.173 0.000 1.099 38 V CA -1.131 61.162 62.300 -0.013 0.000 0.989 38 V CB 1.996 33.807 31.823 -0.021 0.000 1.040 38 V HN 0.898 nan 8.190 nan 0.000 0.434 39 M N 4.923 124.238 119.600 -0.475 0.000 2.378 39 M HA 0.795 5.278 4.480 0.004 0.000 0.289 39 M C -1.944 174.169 176.300 -0.312 0.000 1.136 39 M CA -0.705 54.278 55.300 -0.528 0.000 0.917 39 M CB 2.105 33.962 32.600 -1.238 0.000 1.669 39 M HN 1.294 nan 8.290 nan 0.000 0.461 40 V N 5.718 125.549 119.914 -0.137 0.000 2.487 40 V HA 0.646 4.768 4.120 0.004 0.000 0.298 40 V C -1.500 174.605 176.094 0.018 0.000 1.028 40 V CA -0.537 61.728 62.300 -0.058 0.000 0.860 40 V CB 1.796 33.607 31.823 -0.020 0.000 0.991 40 V HN 0.994 nan 8.190 nan 0.000 0.427 41 L N 5.077 126.290 121.223 -0.017 0.000 2.325 41 L HA 0.749 5.092 4.340 0.004 0.000 0.279 41 L C -0.544 176.355 176.870 0.049 0.000 1.054 41 L CA -0.222 54.621 54.840 0.005 0.000 0.804 41 L CB 1.622 43.657 42.059 -0.040 0.000 1.200 41 L HN 0.877 nan 8.230 nan 0.000 0.436 42 D N 1.563 122.035 120.400 0.120 0.000 2.977 42 D HA 0.536 5.179 4.640 0.004 0.000 0.220 42 D C -1.733 174.664 176.300 0.161 0.000 1.267 42 D CA -0.269 53.800 54.000 0.115 0.000 0.884 42 D CB 1.689 42.575 40.800 0.144 0.000 1.667 42 D HN 0.261 nan 8.370 nan 0.000 0.536 43 F N 3.472 123.387 119.950 -0.059 0.000 2.608 43 F HA 0.582 5.111 4.527 0.005 0.000 0.309 43 F C -1.674 174.088 175.800 -0.063 0.000 1.103 43 F CA -0.624 57.351 58.000 -0.042 0.000 0.954 43 F CB 1.905 40.914 39.000 0.016 0.000 1.267 43 F HN 0.181 nan 8.300 nan 0.000 0.444 44 V N 4.216 123.654 119.914 -0.792 0.000 2.313 44 V HA 0.290 4.413 4.120 0.004 0.000 0.278 44 V C -0.252 175.544 176.094 -0.497 0.000 1.017 44 V CA -0.639 61.319 62.300 -0.571 0.000 0.823 44 V CB 1.391 32.665 31.823 -0.915 0.000 1.010 44 V HN 0.838 nan 8.190 nan 0.000 0.443 45 T N 4.761 119.291 114.554 -0.038 0.000 2.901 45 T HA 0.395 4.748 4.350 0.004 0.000 0.301 45 T C -2.326 172.309 174.700 -0.109 0.000 1.012 45 T CA -1.351 60.803 62.100 0.089 0.000 1.135 45 T CB 0.942 69.938 68.868 0.212 0.000 0.936 45 T HN 0.379 nan 8.240 nan 0.000 0.539 46 P HA 0.186 nan 4.420 nan 0.000 0.270 46 P C 0.589 177.891 177.300 0.003 0.000 1.223 46 P CA -0.397 62.645 63.100 -0.096 0.000 0.785 46 P CB 0.268 31.951 31.700 -0.030 0.000 0.923 47 T N -1.251 113.340 114.554 0.061 0.000 2.788 47 T HA 0.273 4.626 4.350 0.004 0.000 0.280 47 T C -1.805 172.956 174.700 0.102 0.000 0.984 47 T CA -1.595 60.595 62.100 0.150 0.000 0.972 47 T CB -0.057 68.949 68.868 0.231 0.000 1.039 47 T HN 0.152 nan 8.240 nan 0.000 0.530 48 P HA 0.032 nan 4.420 nan 0.000 0.220 48 P C 1.092 178.413 177.300 0.035 0.000 1.148 48 P CA 0.585 63.693 63.100 0.014 0.000 0.803 48 P CB -0.023 31.619 31.700 -0.097 0.000 0.782 49 L N -2.221 119.054 121.223 0.087 0.000 2.612 49 L HA 0.312 4.655 4.340 0.004 0.000 0.230 49 L C 1.472 178.394 176.870 0.086 0.000 1.140 49 L CA 1.142 56.035 54.840 0.089 0.000 0.896 49 L CB -1.649 40.485 42.059 0.125 0.000 1.065 49 L HN 0.184 nan 8.230 nan 0.000 0.447 50 G N 0.693 109.537 108.800 0.074 0.000 2.136 50 G HA2 -0.269 3.694 3.960 0.004 0.000 0.242 50 G HA3 -0.269 3.694 3.960 0.004 0.000 0.242 50 G C 0.452 175.386 174.900 0.056 0.000 0.989 50 G CA 0.530 45.662 45.100 0.053 0.000 0.682 50 G HN 0.436 nan 8.290 nan 0.000 0.522 51 T N -0.704 113.911 114.554 0.101 0.000 2.909 51 T HA 0.701 5.054 4.350 0.004 0.000 0.286 51 T C 0.125 174.847 174.700 0.037 0.000 1.002 51 T CA -0.137 62.047 62.100 0.139 0.000 1.074 51 T CB 2.239 71.253 68.868 0.243 0.000 0.984 51 T HN 0.465 nan 8.240 nan 0.000 0.495 52 N N 0.303 119.003 118.700 0.000 0.000 3.229 52 N HA 0.685 5.427 4.740 0.004 0.000 0.315 52 N C -1.320 174.199 175.510 0.014 0.000 1.520 52 N CA -0.852 51.973 53.050 -0.375 0.000 0.769 52 N CB 1.485 39.705 38.487 -0.446 0.000 1.766 52 N HN 0.884 nan 8.380 nan 0.000 0.618 53 W N -2.022 119.256 121.300 -0.037 0.000 2.895 53 W HA 0.738 5.401 4.660 0.005 0.000 0.377 53 W C -0.407 176.073 176.519 -0.065 0.000 1.191 53 W CA -1.185 56.144 57.345 -0.028 0.000 1.179 53 W CB 0.195 29.655 29.460 -0.001 0.000 1.469 53 W HN 0.596 nan 8.180 nan 0.000 0.577 54 G N 0.490 109.404 108.800 0.191 0.000 2.583 54 G HA2 0.519 4.482 3.960 0.004 0.000 0.280 54 G HA3 0.519 4.482 3.960 0.004 0.000 0.280 54 G C -0.926 174.014 174.900 0.067 0.000 1.376 54 G CA -1.238 43.889 45.100 0.044 0.000 1.043 54 G HN 0.799 nan 8.290 nan 0.000 0.538 55 L N -0.102 121.103 121.223 -0.031 0.000 2.506 55 L HA 0.330 4.672 4.340 0.004 0.000 0.281 55 L C 1.484 178.290 176.870 -0.108 0.000 1.228 55 L CA 1.876 56.654 54.840 -0.104 0.000 0.850 55 L CB 0.883 42.781 42.059 -0.268 0.000 1.110 55 L HN 0.993 nan 8.230 nan 0.000 0.496 56 G N 1.628 110.287 108.800 -0.235 0.000 2.813 56 G HA2 0.085 4.048 3.960 0.004 0.000 0.194 56 G HA3 0.085 4.048 3.960 0.004 0.000 0.194 56 G C 0.468 175.260 174.900 -0.180 0.000 1.010 56 G CA -0.091 44.809 45.100 -0.334 0.000 0.771 56 G HN 1.553 nan 8.290 nan 0.000 0.485 57 G N -1.011 107.773 108.800 -0.027 0.000 2.760 57 G HA2 0.130 4.092 3.960 0.004 0.000 0.246 57 G HA3 0.130 4.092 3.960 0.004 0.000 0.246 57 G C 0.821 175.739 174.900 0.030 0.000 1.359 57 G CA 0.621 45.738 45.100 0.028 0.000 0.861 57 G HN 1.210 nan 8.290 nan 0.000 0.541 58 T N -0.530 114.042 114.554 0.029 0.000 2.674 58 T HA -0.231 4.122 4.350 0.004 0.000 0.265 58 T C 2.529 177.170 174.700 -0.099 0.000 1.039 58 T CA 2.613 64.690 62.100 -0.038 0.000 1.150 58 T CB -0.748 68.130 68.868 0.018 0.000 0.864 58 T HN 1.259 nan 8.240 nan 0.000 0.427 59 c N 1.266 119.836 118.600 -0.050 0.000 2.401 59 c HA -0.086 4.486 4.570 0.004 0.000 0.276 59 c C 2.794 176.824 174.090 -0.099 0.000 1.233 59 c CA 0.788 57.082 56.329 -0.058 0.000 1.753 59 c CB -1.296 41.206 42.510 -0.014 0.000 2.029 59 c HN 0.392 nan 8.230 nan 0.000 0.478 60 V N 1.416 121.284 119.914 -0.077 0.000 2.379 60 V HA -0.117 4.006 4.120 0.004 0.000 0.245 60 V C 2.156 178.170 176.094 -0.134 0.000 1.044 60 V CA 2.320 64.585 62.300 -0.059 0.000 1.036 60 V CB -0.570 31.275 31.823 0.036 0.000 0.664 60 V HN 0.610 nan 8.190 nan 0.000 0.453 61 N N -0.121 118.451 118.700 -0.212 0.000 2.388 61 N HA 0.035 4.777 4.740 0.004 0.000 0.176 61 N C 0.917 176.148 175.510 -0.466 0.000 1.062 61 N CA 1.380 54.234 53.050 -0.328 0.000 0.895 61 N CB 1.480 39.696 38.487 -0.451 0.000 1.018 61 N HN 0.543 nan 8.380 nan 0.000 0.456 62 V N -4.154 115.486 119.914 -0.455 0.000 3.590 62 V HA 0.555 4.677 4.120 0.004 0.000 0.389 62 V C 0.429 176.450 176.094 -0.122 0.000 1.545 62 V CA -0.270 61.862 62.300 -0.280 0.000 1.448 62 V CB 0.414 31.921 31.823 -0.526 0.000 1.105 62 V HN 0.087 nan 8.190 nan 0.000 0.537 63 G N 0.250 108.903 108.800 -0.244 0.000 3.359 63 G HA2 0.242 4.204 3.960 0.004 0.000 0.187 63 G HA3 0.242 4.204 3.960 0.004 0.000 0.187 63 G C 1.071 175.830 174.900 -0.235 0.000 1.294 63 G CA 0.684 45.697 45.100 -0.146 0.000 0.769 63 G HN 0.333 nan 8.290 nan 0.000 0.733 64 c N 0.984 119.500 118.600 -0.140 0.000 2.376 64 c HA -0.074 4.499 4.570 0.004 0.000 0.275 64 c C 2.742 176.675 174.090 -0.263 0.000 1.200 64 c CA 0.485 56.716 56.329 -0.163 0.000 1.756 64 c CB -1.413 41.048 42.510 -0.082 0.000 2.050 64 c HN 0.396 nan 8.230 nan 0.000 0.460 65 I N 2.837 123.267 120.570 -0.232 0.000 2.069 65 I HA -0.135 4.038 4.170 0.004 0.000 0.237 65 I C 0.299 176.214 176.117 -0.337 0.000 1.053 65 I CA 1.692 62.860 61.300 -0.221 0.000 1.311 65 I CB -2.783 35.146 38.000 -0.118 0.000 1.030 65 I HN 0.240 nan 8.210 nan 0.000 0.398 66 P HA -0.186 nan 4.420 nan 0.000 0.216 66 P C 1.721 178.545 177.300 -0.795 0.000 1.153 66 P CA 1.524 64.214 63.100 -0.684 0.000 0.848 66 P CB -0.067 31.049 31.700 -0.973 0.000 0.787 67 K N 1.042 120.912 120.400 -0.883 0.000 1.988 67 K HA -0.231 4.091 4.320 0.004 0.000 0.221 67 K C 2.202 178.588 176.600 -0.357 0.000 1.053 67 K CA 2.251 58.264 56.287 -0.457 0.000 0.959 67 K CB -0.719 31.658 32.500 -0.205 0.000 0.728 67 K HN -0.141 nan 8.250 nan 0.000 0.447 68 K N 1.061 121.247 120.400 -0.356 0.000 2.044 68 K HA -0.123 4.199 4.320 0.004 0.000 0.210 68 K C 2.305 178.755 176.600 -0.250 0.000 1.049 68 K CA 1.642 57.740 56.287 -0.314 0.000 0.927 68 K CB -0.577 31.679 32.500 -0.406 0.000 0.713 68 K HN 0.273 nan 8.250 nan 0.000 0.443 69 L N -0.193 120.848 121.223 -0.302 0.000 2.013 69 L HA -0.250 4.092 4.340 0.004 0.000 0.212 69 L C 2.623 179.311 176.870 -0.303 0.000 1.073 69 L CA 1.927 56.597 54.840 -0.283 0.000 0.753 69 L CB -0.393 41.499 42.059 -0.279 0.000 0.890 69 L HN 0.307 nan 8.230 nan 0.000 0.432 70 M N -1.735 117.600 119.600 -0.440 0.000 2.175 70 M HA -0.195 4.287 4.480 0.004 0.000 0.264 70 M C 2.359 178.420 176.300 -0.399 0.000 1.063 70 M CA 1.241 56.205 55.300 -0.559 0.000 1.119 70 M CB -0.589 31.381 32.600 -1.050 0.000 1.377 70 M HN 0.260 nan 8.290 nan 0.000 0.415 71 H N 0.685 119.493 119.070 -0.436 0.000 2.387 71 H HA -0.221 4.338 4.556 0.004 0.000 0.299 71 H C 1.938 177.224 175.328 -0.070 0.000 1.099 71 H CA 2.246 58.224 56.048 -0.117 0.000 1.315 71 H CB -0.225 29.512 29.762 -0.041 0.000 1.380 71 H HN 0.342 nan 8.280 nan 0.000 0.513 72 Q N 0.242 119.905 119.800 -0.229 0.000 2.167 72 Q HA 0.019 4.362 4.340 0.004 0.000 0.202 72 Q C 2.308 178.213 176.000 -0.158 0.000 0.970 72 Q CA 1.615 57.268 55.803 -0.251 0.000 0.855 72 Q CB -0.560 28.055 28.738 -0.205 0.000 0.911 72 Q HN 0.517 nan 8.270 nan 0.000 0.438 73 A N 0.291 123.032 122.820 -0.132 0.000 1.930 73 A HA 0.000 4.323 4.320 0.004 0.000 0.217 73 A C 2.284 179.842 177.584 -0.043 0.000 1.175 73 A CA 1.662 53.657 52.037 -0.070 0.000 0.627 73 A CB -1.120 17.849 19.000 -0.052 0.000 0.815 73 A HN 0.533 nan 8.150 nan 0.000 0.443 74 A N -0.092 122.717 122.820 -0.018 0.000 1.858 74 A HA -0.049 4.274 4.320 0.004 0.000 0.216 74 A C 2.138 179.733 177.584 0.017 0.000 1.190 74 A CA 1.498 53.562 52.037 0.044 0.000 0.617 74 A CB -0.735 18.377 19.000 0.186 0.000 0.827 74 A HN 0.454 nan 8.150 nan 0.000 0.443 75 L N -0.829 120.371 121.223 -0.040 0.000 2.081 75 L HA -0.208 4.135 4.340 0.004 0.000 0.212 75 L C 2.328 179.180 176.870 -0.029 0.000 1.080 75 L CA 0.663 55.476 54.840 -0.044 0.000 0.754 75 L CB -0.490 41.488 42.059 -0.135 0.000 0.893 75 L HN 0.279 nan 8.230 nan 0.000 0.433 76 L N -0.263 120.933 121.223 -0.045 0.000 2.141 76 L HA -0.058 4.285 4.340 0.004 0.000 0.209 76 L C 2.542 179.403 176.870 -0.015 0.000 1.094 76 L CA 1.784 56.600 54.840 -0.040 0.000 0.763 76 L CB -1.819 40.209 42.059 -0.051 0.000 0.908 76 L HN 0.198 nan 8.230 nan 0.000 0.437 77 G N -1.328 107.474 108.800 0.004 0.000 2.433 77 G HA2 -0.352 3.611 3.960 0.004 0.000 0.216 77 G HA3 -0.352 3.611 3.960 0.004 0.000 0.216 77 G C 1.521 176.432 174.900 0.020 0.000 1.186 77 G CA 0.770 45.883 45.100 0.021 0.000 0.779 77 G HN 0.352 nan 8.290 nan 0.000 0.543 78 Q N 0.860 120.672 119.800 0.020 0.000 2.181 78 Q HA 0.067 4.409 4.340 0.004 0.000 0.205 78 Q C 2.575 178.584 176.000 0.015 0.000 0.980 78 Q CA 1.820 57.633 55.803 0.017 0.000 0.862 78 Q CB -0.667 28.076 28.738 0.009 0.000 0.905 78 Q HN 0.406 nan 8.270 nan 0.000 0.429 79 A N -0.157 122.666 122.820 0.005 0.000 1.930 79 A HA -0.076 4.246 4.320 0.004 0.000 0.217 79 A C 2.034 179.613 177.584 -0.009 0.000 1.175 79 A CA 1.168 53.202 52.037 -0.004 0.000 0.627 79 A CB -0.596 18.383 19.000 -0.036 0.000 0.815 79 A HN 0.438 nan 8.150 nan 0.000 0.443 80 L N -0.909 120.308 121.223 -0.011 0.000 2.046 80 L HA -0.216 4.127 4.340 0.004 0.000 0.208 80 L C 2.548 179.439 176.870 0.036 0.000 1.077 80 L CA 1.858 56.694 54.840 -0.007 0.000 0.747 80 L CB -0.661 41.400 42.059 0.003 0.000 0.896 80 L HN 0.334 nan 8.230 nan 0.000 0.432 81 K N 0.302 120.728 120.400 0.043 0.000 2.009 81 K HA -0.202 4.121 4.320 0.004 0.000 0.210 81 K C 1.797 178.453 176.600 0.093 0.000 1.049 81 K CA 1.932 58.255 56.287 0.060 0.000 0.929 81 K CB -0.156 32.370 32.500 0.044 0.000 0.714 81 K HN 0.176 nan 8.250 nan 0.000 0.440 82 D N -0.037 120.424 120.400 0.102 0.000 2.133 82 D HA -0.161 4.481 4.640 0.004 0.000 0.195 82 D C 1.929 178.396 176.300 0.278 0.000 0.997 82 D CA 1.738 55.848 54.000 0.183 0.000 0.840 82 D CB -0.397 40.510 40.800 0.178 0.000 0.947 82 D HN 0.232 nan 8.370 nan 0.000 0.452 83 S N 0.277 116.102 115.700 0.208 0.000 2.440 83 S HA -0.203 4.270 4.470 0.004 0.000 0.240 83 S C 1.840 176.690 174.600 0.417 0.000 1.014 83 S CA 0.706 59.100 58.200 0.324 0.000 0.980 83 S CB -0.313 62.959 63.200 0.119 0.000 0.775 83 S HN 0.253 nan 8.310 nan 0.000 0.499 84 R N 2.026 122.684 120.500 0.263 0.000 2.080 84 R HA -0.043 4.300 4.340 0.004 0.000 0.236 84 R C 1.731 178.131 176.300 0.166 0.000 1.137 84 R CA 1.842 58.063 56.100 0.202 0.000 0.943 84 R CB -0.665 29.712 30.300 0.129 0.000 0.846 84 R HN 0.535 nan 8.270 nan 0.000 0.431 85 N N -0.384 118.394 118.700 0.131 0.000 2.520 85 N HA -0.118 4.625 4.740 0.004 0.000 0.185 85 N C 0.599 176.097 175.510 -0.019 0.000 1.068 85 N CA 0.834 53.892 53.050 0.014 0.000 0.911 85 N CB -0.033 38.410 38.487 -0.073 0.000 0.961 85 N HN 0.304 nan 8.380 nan 0.000 0.446 86 Y N -0.867 119.501 120.300 0.113 0.000 2.457 86 Y HA 0.320 4.875 4.550 0.008 0.000 0.263 86 Y C 1.679 177.576 175.900 -0.005 0.000 1.164 86 Y CA 0.106 58.264 58.100 0.096 0.000 1.274 86 Y CB 0.572 39.146 38.460 0.190 0.000 1.097 86 Y HN 0.133 nan 8.280 nan 0.000 0.523 87 G N -1.772 107.092 108.800 0.106 0.000 2.229 87 G HA2 -0.223 3.740 3.960 0.004 0.000 0.189 87 G HA3 -0.223 3.740 3.960 0.004 0.000 0.189 87 G C -0.324 174.462 174.900 -0.191 0.000 1.000 87 G CA -0.741 44.300 45.100 -0.099 0.000 0.663 87 G HN 0.194 nan 8.290 nan 0.000 0.493 88 W N 2.236 123.582 121.300 0.076 0.000 2.266 88 W HA 0.609 5.270 4.660 0.003 0.000 0.317 88 W C 0.675 177.221 176.519 0.044 0.000 1.310 88 W CA -0.470 56.906 57.345 0.051 0.000 1.207 88 W CB 0.659 30.146 29.460 0.047 0.000 1.199 88 W HN -0.026 nan 8.180 nan 0.000 0.544 89 K N 4.684 125.225 120.400 0.235 0.000 2.231 89 K HA 0.367 4.690 4.320 0.004 0.000 0.275 89 K C -0.260 176.429 176.600 0.149 0.000 1.105 89 K CA -0.292 56.084 56.287 0.148 0.000 0.931 89 K CB 0.526 33.081 32.500 0.093 0.000 1.296 89 K HN 0.366 nan 8.250 nan 0.000 0.446 90 L N 1.379 122.682 121.223 0.132 0.000 2.376 90 L HA 0.304 4.646 4.340 0.004 0.000 0.267 90 L C 0.501 177.413 176.870 0.071 0.000 1.035 90 L CA -0.956 53.943 54.840 0.098 0.000 0.800 90 L CB 1.325 43.438 42.059 0.091 0.000 1.290 90 L HN 0.512 nan 8.230 nan 0.000 0.462 91 E N 0.688 120.922 120.200 0.056 0.000 2.229 91 E HA 0.009 4.362 4.350 0.004 0.000 0.283 91 E C -0.173 176.453 176.600 0.044 0.000 1.030 91 E CA -0.302 56.126 56.400 0.046 0.000 0.836 91 E CB 1.025 30.749 29.700 0.039 0.000 1.068 91 E HN 0.496 nan 8.360 nan 0.000 0.401 92 D N 1.770 122.195 120.400 0.041 0.000 2.369 92 D HA -0.125 4.518 4.640 0.004 0.000 0.213 92 D C -0.149 176.173 176.300 0.038 0.000 0.982 92 D CA 1.308 55.331 54.000 0.039 0.000 0.931 92 D CB 0.197 41.017 40.800 0.032 0.000 0.889 92 D HN 0.271 nan 8.370 nan 0.000 0.487 93 T N 0.317 114.893 114.554 0.038 0.000 3.050 93 T HA 0.373 4.726 4.350 0.004 0.000 0.310 93 T C -0.246 174.479 174.700 0.042 0.000 0.978 93 T CA -0.659 61.464 62.100 0.039 0.000 1.013 93 T CB 2.480 71.369 68.868 0.035 0.000 1.000 93 T HN -0.303 nan 8.240 nan 0.000 0.447 94 V N 3.962 123.904 119.914 0.048 0.000 2.417 94 V HA 0.504 4.627 4.120 0.004 0.000 0.291 94 V C 0.155 176.291 176.094 0.069 0.000 1.024 94 V CA -1.102 61.229 62.300 0.051 0.000 0.861 94 V CB 1.585 33.437 31.823 0.047 0.000 0.985 94 V HN 0.596 nan 8.190 nan 0.000 0.436 95 K N 1.954 122.394 120.400 0.068 0.000 2.126 95 K HA 0.398 4.720 4.320 0.004 0.000 0.257 95 K C -0.502 176.174 176.600 0.127 0.000 1.007 95 K CA -0.403 55.940 56.287 0.093 0.000 0.928 95 K CB 1.093 33.634 32.500 0.069 0.000 1.013 95 K HN 0.887 nan 8.250 nan 0.000 0.473 96 H N -0.189 118.920 119.070 0.065 0.000 2.492 96 H HA 0.238 4.796 4.556 0.004 0.000 0.345 96 H C -1.281 174.107 175.328 0.100 0.000 1.136 96 H CA -0.564 55.529 56.048 0.075 0.000 1.202 96 H CB 1.313 31.132 29.762 0.095 0.000 1.524 96 H HN 0.396 nan 8.280 nan 0.000 0.506 97 D N 4.960 124.996 120.400 -0.607 0.000 2.477 97 D HA -0.009 4.634 4.640 0.004 0.000 0.239 97 D C 0.725 176.874 176.300 -0.251 0.000 1.102 97 D CA -0.640 53.200 54.000 -0.266 0.000 0.901 97 D CB -0.013 40.697 40.800 -0.150 0.000 1.026 97 D HN 0.644 nan 8.370 nan 0.000 0.515 98 W N 3.797 125.060 121.300 -0.062 0.000 2.304 98 W HA -0.291 4.371 4.660 0.003 0.000 0.315 98 W C 1.306 177.840 176.519 0.025 0.000 1.233 98 W CA 1.869 59.271 57.345 0.094 0.000 1.261 98 W CB -0.089 29.457 29.460 0.144 0.000 1.150 98 W HN 0.527 nan 8.180 nan 0.000 0.494 99 E N 0.812 121.165 120.200 0.255 0.000 2.048 99 E HA -0.336 4.017 4.350 0.004 0.000 0.202 99 E C 2.099 178.673 176.600 -0.043 0.000 1.021 99 E CA 2.912 59.399 56.400 0.147 0.000 0.825 99 E CB -0.534 29.249 29.700 0.137 0.000 0.756 99 E HN 0.053 nan 8.360 nan 0.000 0.454 100 K N 0.150 120.502 120.400 -0.080 0.000 2.057 100 K HA -0.132 4.191 4.320 0.004 0.000 0.207 100 K C 2.187 178.687 176.600 -0.166 0.000 1.049 100 K CA 1.875 58.097 56.287 -0.109 0.000 0.931 100 K CB -0.422 32.012 32.500 -0.110 0.000 0.714 100 K HN 0.322 nan 8.250 nan 0.000 0.440 101 M N 0.407 119.856 119.600 -0.251 0.000 2.065 101 M HA -0.198 4.285 4.480 0.004 0.000 0.259 101 M C 1.963 178.081 176.300 -0.303 0.000 1.071 101 M CA 2.635 57.777 55.300 -0.263 0.000 1.109 101 M CB -0.625 31.829 32.600 -0.243 0.000 1.313 101 M HN 0.390 nan 8.290 nan 0.000 0.408 102 T N -1.741 112.537 114.554 -0.460 0.000 2.962 102 T HA -0.186 4.166 4.350 0.004 0.000 0.270 102 T C 1.599 176.209 174.700 -0.151 0.000 1.088 102 T CA 1.607 63.495 62.100 -0.353 0.000 1.127 102 T CB -0.625 67.987 68.868 -0.425 0.000 0.883 102 T HN 0.693 nan 8.240 nan 0.000 0.493 103 E N 1.311 121.441 120.200 -0.116 0.000 2.031 103 E HA -0.159 4.193 4.350 0.004 0.000 0.193 103 E C 2.283 178.854 176.600 -0.049 0.000 0.994 103 E CA 1.629 58.000 56.400 -0.048 0.000 0.800 103 E CB -0.320 29.363 29.700 -0.029 0.000 0.752 103 E HN 0.693 nan 8.360 nan 0.000 0.447 104 S N 0.542 116.197 115.700 -0.076 0.000 2.370 104 S HA -0.143 4.329 4.470 0.004 0.000 0.226 104 S C 2.169 176.739 174.600 -0.049 0.000 1.033 104 S CA 1.288 59.451 58.200 -0.062 0.000 1.011 104 S CB -0.422 62.725 63.200 -0.089 0.000 0.852 104 S HN 0.147 nan 8.310 nan 0.000 0.457 105 V N 2.091 121.953 119.914 -0.088 0.000 2.295 105 V HA -0.165 3.958 4.120 0.004 0.000 0.246 105 V C 2.798 178.884 176.094 -0.013 0.000 1.049 105 V CA 1.602 63.857 62.300 -0.076 0.000 1.024 105 V CB -0.656 31.081 31.823 -0.142 0.000 0.648 105 V HN 0.428 nan 8.190 nan 0.000 0.447 106 Q N -0.273 119.519 119.800 -0.013 0.000 2.124 106 Q HA -0.207 4.136 4.340 0.004 0.000 0.202 106 Q C 2.114 178.137 176.000 0.038 0.000 0.977 106 Q CA 1.720 57.536 55.803 0.022 0.000 0.850 106 Q CB -0.693 28.071 28.738 0.043 0.000 0.901 106 Q HN 0.728 nan 8.270 nan 0.000 0.429 107 N N 0.028 118.749 118.700 0.035 0.000 2.061 107 N HA -0.220 4.522 4.740 0.004 0.000 0.193 107 N C 1.860 177.408 175.510 0.063 0.000 1.030 107 N CA 1.363 54.440 53.050 0.044 0.000 0.856 107 N CB -0.130 38.374 38.487 0.029 0.000 1.023 107 N HN 0.364 nan 8.380 nan 0.000 0.424 108 H N 0.416 119.467 119.070 -0.032 0.000 2.353 108 H HA -0.079 4.480 4.556 0.005 0.000 0.300 108 H C 2.039 177.357 175.328 -0.016 0.000 1.090 108 H CA 1.428 57.453 56.048 -0.037 0.000 1.327 108 H CB -0.037 29.683 29.762 -0.070 0.000 1.383 108 H HN 0.267 nan 8.280 nan 0.000 0.508 109 I N 0.413 120.939 120.570 -0.074 0.000 2.264 109 I HA -0.205 3.968 4.170 0.004 0.000 0.248 109 I C 2.864 178.950 176.117 -0.052 0.000 1.111 109 I CA 1.168 62.407 61.300 -0.102 0.000 1.382 109 I CB -0.834 37.150 38.000 -0.027 0.000 1.060 109 I HN 0.333 nan 8.210 nan 0.000 0.418 110 G N 0.222 109.033 108.800 0.019 0.000 2.418 110 G HA2 -0.319 3.644 3.960 0.004 0.000 0.217 110 G HA3 -0.319 3.644 3.960 0.004 0.000 0.217 110 G C 1.790 176.770 174.900 0.134 0.000 1.158 110 G CA 1.079 46.250 45.100 0.118 0.000 0.771 110 G HN 0.426 nan 8.290 nan 0.000 0.545 111 S N 0.246 115.951 115.700 0.009 0.000 2.365 111 S HA -0.120 4.352 4.470 0.004 0.000 0.225 111 S C 2.455 177.014 174.600 -0.067 0.000 1.039 111 S CA 1.605 59.786 58.200 -0.032 0.000 1.033 111 S CB -0.294 62.832 63.200 -0.123 0.000 0.887 111 S HN 0.316 nan 8.310 nan 0.000 0.447 112 L N 1.357 122.471 121.223 -0.182 0.000 2.072 112 L HA -0.048 4.294 4.340 0.004 0.000 0.205 112 L C 2.662 179.530 176.870 -0.004 0.000 1.079 112 L CA 1.097 55.827 54.840 -0.184 0.000 0.752 112 L CB -0.820 41.133 42.059 -0.176 0.000 0.906 112 L HN 0.269 nan 8.230 nan 0.000 0.436 113 N N -0.172 118.567 118.700 0.065 0.000 2.011 113 N HA -0.257 4.486 4.740 0.004 0.000 0.199 113 N C 1.577 177.082 175.510 -0.010 0.000 1.047 113 N CA 1.859 54.941 53.050 0.054 0.000 0.863 113 N CB -0.635 37.848 38.487 -0.007 0.000 1.056 113 N HN 0.328 nan 8.380 nan 0.000 0.427 114 W N 1.189 122.490 121.300 0.002 0.000 2.338 114 W HA -0.060 4.603 4.660 0.004 0.000 0.304 114 W C 2.599 179.094 176.519 -0.040 0.000 1.212 114 W CA 1.575 58.914 57.345 -0.009 0.000 1.264 114 W CB -0.930 28.518 29.460 -0.020 0.000 1.142 114 W HN 0.183 nan 8.180 nan 0.000 0.512 115 G N -0.871 107.994 108.800 0.108 0.000 2.476 115 G HA2 -0.344 3.619 3.960 0.004 0.000 0.218 115 G HA3 -0.344 3.619 3.960 0.004 0.000 0.218 115 G C 1.156 176.006 174.900 -0.084 0.000 1.164 115 G CA 1.333 46.401 45.100 -0.053 0.000 0.768 115 G HN 0.223 nan 8.290 nan 0.000 0.560 116 Y N 0.285 120.550 120.300 -0.059 0.000 2.200 116 Y HA 0.009 4.561 4.550 0.004 0.000 0.290 116 Y C 2.953 178.756 175.900 -0.162 0.000 1.137 116 Y CA 1.300 59.329 58.100 -0.118 0.000 1.163 116 Y CB -0.381 37.980 38.460 -0.164 0.000 0.988 116 Y HN 0.075 nan 8.280 nan 0.000 0.518 117 R N -0.325 120.160 120.500 -0.026 0.000 2.096 117 R HA -0.140 4.203 4.340 0.004 0.000 0.235 117 R C 2.201 178.503 176.300 0.003 0.000 1.127 117 R CA 1.371 57.388 56.100 -0.138 0.000 0.968 117 R CB -0.547 29.607 30.300 -0.242 0.000 0.861 117 R HN 0.200 nan 8.270 nan 0.000 0.440 118 V N 0.814 120.775 119.914 0.079 0.000 2.287 118 V HA -0.274 3.848 4.120 0.004 0.000 0.248 118 V C 2.427 178.551 176.094 0.051 0.000 1.053 118 V CA 2.040 64.399 62.300 0.099 0.000 1.027 118 V CB -0.591 31.302 31.823 0.117 0.000 0.646 118 V HN 0.532 nan 8.190 nan 0.000 0.447 119 A N -0.421 122.417 122.820 0.030 0.000 1.883 119 A HA -0.190 4.132 4.320 0.004 0.000 0.217 119 A C 2.167 179.767 177.584 0.027 0.000 1.186 119 A CA 1.998 54.049 52.037 0.023 0.000 0.624 119 A CB -0.576 18.438 19.000 0.023 0.000 0.822 119 A HN 0.526 nan 8.150 nan 0.000 0.444 120 L N -1.338 119.894 121.223 0.016 0.000 2.046 120 L HA -0.192 4.151 4.340 0.004 0.000 0.208 120 L C 2.812 179.701 176.870 0.032 0.000 1.077 120 L CA 1.778 56.623 54.840 0.008 0.000 0.747 120 L CB -0.525 41.509 42.059 -0.041 0.000 0.896 120 L HN 0.400 nan 8.230 nan 0.000 0.432 121 R N -0.075 120.452 120.500 0.045 0.000 2.073 121 R HA -0.188 4.154 4.340 0.004 0.000 0.234 121 R C 2.394 178.723 176.300 0.048 0.000 1.134 121 R CA 1.346 57.483 56.100 0.061 0.000 0.952 121 R CB -0.111 30.236 30.300 0.079 0.000 0.850 121 R HN 0.246 nan 8.270 nan 0.000 0.433 122 E N 0.976 121.200 120.200 0.040 0.000 2.118 122 E HA -0.183 4.170 4.350 0.004 0.000 0.195 122 E C 1.046 177.659 176.600 0.023 0.000 0.992 122 E CA 1.389 57.807 56.400 0.029 0.000 0.804 122 E CB 0.134 29.847 29.700 0.023 0.000 0.741 122 E HN 0.344 nan 8.360 nan 0.000 0.458 123 K N 0.499 120.914 120.400 0.024 0.000 2.476 123 K HA 0.070 4.393 4.320 0.004 0.000 0.196 123 K C 0.043 176.660 176.600 0.028 0.000 1.025 123 K CA -0.066 56.234 56.287 0.021 0.000 1.138 123 K CB 0.289 32.802 32.500 0.022 0.000 0.860 123 K HN 0.005 nan 8.250 nan 0.000 0.515 124 K N 0.603 121.023 120.400 0.034 0.000 3.125 124 K HA -0.129 4.193 4.320 0.004 0.000 0.268 124 K C -0.845 175.786 176.600 0.051 0.000 1.078 124 K CA 0.163 56.475 56.287 0.042 0.000 0.775 124 K CB -1.701 30.820 32.500 0.035 0.000 1.253 124 K HN -0.012 nan 8.250 nan 0.000 0.486 125 V N 1.304 121.248 119.914 0.050 0.000 2.459 125 V HA 0.274 4.397 4.120 0.004 0.000 0.295 125 V C 0.640 176.772 176.094 0.062 0.000 1.029 125 V CA -0.933 61.394 62.300 0.046 0.000 0.874 125 V CB 1.967 33.804 31.823 0.023 0.000 0.985 125 V HN 0.075 nan 8.190 nan 0.000 0.438 126 V N 5.087 125.037 119.914 0.060 0.000 2.614 126 V HA 0.198 4.320 4.120 0.004 0.000 0.291 126 V C -0.545 175.595 176.094 0.077 0.000 1.049 126 V CA -0.225 62.118 62.300 0.072 0.000 1.038 126 V CB 0.734 32.609 31.823 0.087 0.000 0.980 126 V HN 0.757 nan 8.190 nan 0.000 0.481 127 Y N 3.920 124.193 120.300 -0.045 0.000 2.350 127 Y HA 0.720 5.273 4.550 0.004 0.000 0.338 127 Y C -0.541 175.335 175.900 -0.040 0.000 0.961 127 Y CA -1.559 56.505 58.100 -0.059 0.000 1.100 127 Y CB 1.811 40.244 38.460 -0.046 0.000 1.179 127 Y HN 0.697 nan 8.280 nan 0.000 0.454 128 E N 4.072 124.023 120.200 -0.416 0.000 2.246 128 E HA 0.238 4.590 4.350 0.004 0.000 0.266 128 E C -1.198 175.072 176.600 -0.550 0.000 0.880 128 E CA -0.484 55.637 56.400 -0.466 0.000 0.762 128 E CB 0.900 30.510 29.700 -0.151 0.000 1.180 128 E HN 0.688 nan 8.360 nan 0.000 0.416 129 N N 3.271 121.628 118.700 -0.573 0.000 2.807 129 N HA 0.399 5.141 4.740 0.004 0.000 0.259 129 N C -1.380 174.177 175.510 0.077 0.000 1.149 129 N CA 0.112 53.014 53.050 -0.246 0.000 1.042 129 N CB 0.123 38.472 38.487 -0.229 0.000 1.367 129 N HN 0.392 nan 8.380 nan 0.000 0.516 130 A N 2.754 125.654 122.820 0.133 0.000 2.594 130 A HA 0.291 4.614 4.320 0.004 0.000 0.295 130 A C -1.907 175.717 177.584 0.068 0.000 1.071 130 A CA -0.657 51.446 52.037 0.111 0.000 0.685 130 A CB 0.928 19.950 19.000 0.035 0.000 1.285 130 A HN 0.582 nan 8.150 nan 0.000 0.405 131 Y N 1.153 121.287 120.300 -0.277 0.000 2.316 131 Y HA 0.495 5.048 4.550 0.004 0.000 0.331 131 Y C 0.784 176.598 175.900 -0.142 0.000 1.083 131 Y CA 0.502 58.466 58.100 -0.226 0.000 1.206 131 Y CB 1.029 39.208 38.460 -0.469 0.000 1.195 131 Y HN 0.844 nan 8.280 nan 0.000 0.497 132 G N 5.640 114.306 108.800 -0.224 0.000 2.389 132 G HA2 0.482 4.445 3.960 0.004 0.000 0.317 132 G HA3 0.482 4.445 3.960 0.004 0.000 0.317 132 G C -1.410 173.449 174.900 -0.068 0.000 1.137 132 G CA -0.710 44.307 45.100 -0.138 0.000 0.870 132 G HN 0.531 nan 8.290 nan 0.000 0.496 133 K N 1.824 122.158 120.400 -0.109 0.000 2.589 133 K HA 0.219 4.542 4.320 0.004 0.000 0.253 133 K C -1.456 175.082 176.600 -0.104 0.000 0.974 133 K CA -0.625 55.636 56.287 -0.043 0.000 0.835 133 K CB 1.491 34.034 32.500 0.072 0.000 1.272 133 K HN 0.305 nan 8.250 nan 0.000 0.444 134 F N 3.843 123.753 119.950 -0.067 0.000 2.450 134 F HA 0.196 4.725 4.527 0.004 0.000 0.339 134 F C 1.837 177.611 175.800 -0.042 0.000 1.146 134 F CA 0.071 58.002 58.000 -0.114 0.000 1.267 134 F CB 0.618 39.505 39.000 -0.188 0.000 1.178 134 F HN 0.514 nan 8.300 nan 0.000 0.585 135 I N -1.387 119.306 120.570 0.206 0.000 4.592 135 I HA 0.663 4.836 4.170 0.004 0.000 0.329 135 I C 0.503 176.690 176.117 0.116 0.000 1.309 135 I CA 0.089 61.463 61.300 0.125 0.000 1.243 135 I CB 0.625 38.682 38.000 0.095 0.000 1.241 135 I HN 0.552 nan 8.210 nan 0.000 0.434 136 G N 1.009 109.899 108.800 0.150 0.000 2.328 136 G HA2 0.343 4.305 3.960 0.004 0.000 0.295 136 G HA3 0.343 4.305 3.960 0.004 0.000 0.295 136 G C -3.282 171.722 174.900 0.174 0.000 1.413 136 G CA -0.907 44.267 45.100 0.123 0.000 0.817 136 G HN -0.222 nan 8.290 nan 0.000 0.546 137 P HA 0.166 nan 4.420 nan 0.000 0.261 137 P C 0.207 177.737 177.300 0.384 0.000 1.165 137 P CA 1.139 64.390 63.100 0.250 0.000 0.759 137 P CB -0.035 31.804 31.700 0.232 0.000 0.772 138 H N -0.650 118.669 119.070 0.415 0.000 3.284 138 H HA -0.224 4.334 4.556 0.004 0.000 0.257 138 H C -0.006 175.732 175.328 0.683 0.000 1.091 138 H CA 1.565 57.944 56.048 0.551 0.000 1.190 138 H CB -1.170 28.770 29.762 0.296 0.000 1.268 138 H HN 0.451 nan 8.280 nan 0.000 0.322 139 K N 0.353 121.106 120.400 0.588 0.000 2.324 139 K HA 0.672 4.994 4.320 0.004 0.000 0.253 139 K C -0.693 176.144 176.600 0.396 0.000 0.932 139 K CA -0.790 55.791 56.287 0.491 0.000 0.799 139 K CB 2.879 35.574 32.500 0.324 0.000 1.154 139 K HN 0.072 nan 8.250 nan 0.000 0.425 140 I N 3.001 123.778 120.570 0.344 0.000 2.619 140 I HA 0.373 4.546 4.170 0.004 0.000 0.292 140 I C -1.300 174.892 176.117 0.124 0.000 1.100 140 I CA -0.997 60.369 61.300 0.111 0.000 1.043 140 I CB 1.910 39.894 38.000 -0.026 0.000 1.239 140 I HN 0.689 nan 8.210 nan 0.000 0.420 141 M N 7.733 127.356 119.600 0.039 0.000 2.268 141 M HA 0.732 5.215 4.480 0.004 0.000 0.344 141 M C -1.370 174.947 176.300 0.029 0.000 1.106 141 M CA -0.308 55.005 55.300 0.021 0.000 1.010 141 M CB 1.516 34.118 32.600 0.003 0.000 1.649 141 M HN 0.662 nan 8.290 nan 0.000 0.443 142 A N 3.652 126.500 122.820 0.048 0.000 2.258 142 A HA 0.628 4.951 4.320 0.004 0.000 0.316 142 A C -0.553 177.037 177.584 0.010 0.000 1.279 142 A CA -0.589 51.490 52.037 0.070 0.000 0.876 142 A CB 0.537 19.650 19.000 0.188 0.000 1.170 142 A HN 0.807 nan 8.150 nan 0.000 0.520 143 T N 3.535 118.072 114.554 -0.029 0.000 2.733 143 T HA 0.164 4.517 4.350 0.004 0.000 0.294 143 T C 0.698 175.307 174.700 -0.151 0.000 0.956 143 T CA -0.501 61.539 62.100 -0.100 0.000 0.987 143 T CB 0.234 69.007 68.868 -0.159 0.000 0.920 143 T HN 0.771 nan 8.240 nan 0.000 0.470 144 N N 2.765 121.415 118.700 -0.083 0.000 2.231 144 N HA -0.055 4.688 4.740 0.004 0.000 0.223 144 N C 1.256 176.730 175.510 -0.061 0.000 1.329 144 N CA -0.066 52.961 53.050 -0.040 0.000 0.889 144 N CB 0.365 38.845 38.487 -0.011 0.000 1.125 144 N HN 0.510 nan 8.380 nan 0.000 0.447 145 N N 0.671 119.415 118.700 0.074 0.000 2.331 145 N HA -0.051 4.692 4.740 0.004 0.000 0.180 145 N C 0.433 175.987 175.510 0.074 0.000 1.019 145 N CA 1.236 54.394 53.050 0.179 0.000 0.881 145 N CB 0.077 38.694 38.487 0.217 0.000 0.972 145 N HN 0.494 nan 8.380 nan 0.000 0.435 146 K N -0.936 119.483 120.400 0.031 0.000 2.374 146 K HA 0.220 4.543 4.320 0.004 0.000 0.196 146 K C 0.632 177.224 176.600 -0.013 0.000 1.023 146 K CA 0.427 56.722 56.287 0.014 0.000 1.103 146 K CB 0.462 32.971 32.500 0.015 0.000 0.848 146 K HN 0.249 nan 8.250 nan 0.000 0.528 147 G N 1.392 110.170 108.800 -0.037 0.000 2.176 147 G HA2 -0.204 3.759 3.960 0.004 0.000 0.232 147 G HA3 -0.204 3.759 3.960 0.004 0.000 0.232 147 G C -0.280 174.590 174.900 -0.050 0.000 0.986 147 G CA -0.418 44.647 45.100 -0.058 0.000 0.643 147 G HN 0.047 nan 8.290 nan 0.000 0.522 148 K N 1.518 121.896 120.400 -0.035 0.000 2.368 148 K HA 0.380 4.703 4.320 0.004 0.000 0.282 148 K C 0.425 177.002 176.600 -0.039 0.000 1.035 148 K CA 0.137 56.407 56.287 -0.030 0.000 0.973 148 K CB 1.024 33.515 32.500 -0.015 0.000 0.957 148 K HN 0.604 nan 8.250 nan 0.000 0.474 149 E N 1.869 122.042 120.200 -0.045 0.000 2.202 149 E HA 0.354 4.706 4.350 0.004 0.000 0.272 149 E C -0.554 176.001 176.600 -0.074 0.000 0.951 149 E CA -0.730 55.636 56.400 -0.055 0.000 0.813 149 E CB 2.104 31.771 29.700 -0.055 0.000 1.151 149 E HN 0.277 nan 8.360 nan 0.000 0.398 150 K N 1.175 121.511 120.400 -0.107 0.000 2.502 150 K HA 0.460 4.782 4.320 0.004 0.000 0.257 150 K C -1.711 174.680 176.600 -0.350 0.000 0.938 150 K CA -0.638 55.509 56.287 -0.233 0.000 0.819 150 K CB 1.936 34.291 32.500 -0.241 0.000 1.333 150 K HN 0.270 nan 8.250 nan 0.000 0.434 151 V N 3.714 123.364 119.914 -0.440 0.000 2.581 151 V HA 0.546 4.669 4.120 0.004 0.000 0.303 151 V C -1.273 174.565 176.094 -0.428 0.000 1.041 151 V CA -0.596 61.526 62.300 -0.296 0.000 0.907 151 V CB 1.261 33.025 31.823 -0.099 0.000 0.994 151 V HN 0.666 nan 8.190 nan 0.000 0.442 152 Y N 1.068 121.494 120.300 0.210 0.000 2.576 152 Y HA 0.674 5.227 4.550 0.004 0.000 0.346 152 Y C 0.305 176.433 175.900 0.379 0.000 1.018 152 Y CA -0.861 57.416 58.100 0.295 0.000 1.050 152 Y CB 2.324 41.013 38.460 0.383 0.000 1.280 152 Y HN 0.654 nan 8.280 nan 0.000 0.474 153 S N 1.000 117.042 115.700 0.569 0.000 2.568 153 S HA 1.000 5.472 4.470 0.004 0.000 0.302 153 S C -0.950 173.980 174.600 0.550 0.000 1.082 153 S CA -0.333 58.218 58.200 0.584 0.000 1.009 153 S CB 1.983 65.479 63.200 0.493 0.000 1.069 153 S HN 1.190 nan 8.310 nan 0.000 0.500 154 A N 1.021 124.082 122.820 0.402 0.000 2.604 154 A HA 0.631 4.953 4.320 0.004 0.000 0.295 154 A C 0.232 177.462 177.584 -0.591 0.000 1.067 154 A CA -0.362 51.624 52.037 -0.085 0.000 0.683 154 A CB 1.147 19.868 19.000 -0.464 0.000 1.281 154 A HN 0.994 nan 8.150 nan 0.000 0.407 155 E N 0.394 120.171 120.200 -0.705 0.000 2.216 155 E HA 0.036 4.389 4.350 0.004 0.000 0.192 155 E C 0.502 177.048 176.600 -0.090 0.000 0.988 155 E CA 0.819 56.785 56.400 -0.725 0.000 0.834 155 E CB 0.158 29.645 29.700 -0.356 0.000 0.772 155 E HN 0.533 nan 8.360 nan 0.000 0.479 156 R N -0.867 119.590 120.500 -0.073 0.000 2.740 156 R HA 0.427 4.769 4.340 0.004 0.000 0.273 156 R C -1.606 174.648 176.300 -0.077 0.000 0.998 156 R CA -0.693 55.488 56.100 0.136 0.000 0.900 156 R CB 1.442 31.866 30.300 0.207 0.000 1.223 156 R HN -0.073 nan 8.270 nan 0.000 0.466 157 F N 1.126 121.242 119.950 0.276 0.000 2.588 157 F HA 0.510 5.040 4.527 0.004 0.000 0.314 157 F C -0.869 175.061 175.800 0.216 0.000 1.069 157 F CA -0.911 57.239 58.000 0.250 0.000 0.931 157 F CB 1.892 41.128 39.000 0.393 0.000 1.260 157 F HN 0.205 nan 8.300 nan 0.000 0.465 158 L N 4.425 125.879 121.223 0.385 0.000 2.404 158 L HA 0.630 4.973 4.340 0.004 0.000 0.272 158 L C -1.309 175.683 176.870 0.205 0.000 0.980 158 L CA -0.343 54.653 54.840 0.259 0.000 0.836 158 L CB 1.001 43.157 42.059 0.161 0.000 1.238 158 L HN 0.462 nan 8.230 nan 0.000 0.408 159 I N 5.521 126.196 120.570 0.175 0.000 2.337 159 I HA 0.525 4.698 4.170 0.004 0.000 0.291 159 I C 0.571 176.733 176.117 0.074 0.000 1.046 159 I CA -0.042 61.327 61.300 0.116 0.000 1.324 159 I CB 1.322 39.392 38.000 0.115 0.000 1.409 159 I HN 0.840 nan 8.210 nan 0.000 0.494 160 A N 3.746 126.591 122.820 0.042 0.000 3.176 160 A HA 0.263 4.586 4.320 0.004 0.000 0.265 160 A C 0.928 178.519 177.584 0.011 0.000 0.936 160 A CA -0.331 51.724 52.037 0.031 0.000 1.033 160 A CB -0.308 18.707 19.000 0.026 0.000 1.158 160 A HN 0.750 nan 8.150 nan 0.000 0.485 161 T N -3.101 111.459 114.554 0.009 0.000 3.100 161 T HA 0.432 4.784 4.350 0.004 0.000 0.253 161 T C 1.308 176.028 174.700 0.034 0.000 1.118 161 T CA 0.986 63.086 62.100 -0.001 0.000 1.058 161 T CB -0.300 68.552 68.868 -0.027 0.000 0.953 161 T HN 1.985 nan 8.240 nan 0.000 0.515 162 G N 1.939 110.766 108.800 0.045 0.000 2.633 162 G HA2 -0.176 3.787 3.960 0.004 0.000 0.263 162 G HA3 -0.176 3.787 3.960 0.004 0.000 0.263 162 G C -0.514 174.432 174.900 0.077 0.000 1.310 162 G CA 0.078 45.216 45.100 0.063 0.000 0.914 162 G HN 0.802 nan 8.290 nan 0.000 0.569 163 E N -0.640 119.615 120.200 0.091 0.000 2.412 163 E HA 0.853 5.205 4.350 0.004 0.000 0.255 163 E C -0.305 176.369 176.600 0.122 0.000 0.933 163 E CA -1.255 55.205 56.400 0.100 0.000 0.823 163 E CB 1.568 31.323 29.700 0.092 0.000 1.352 163 E HN 0.455 nan 8.360 nan 0.000 0.406 164 R N 0.047 120.621 120.500 0.123 0.000 2.808 164 R HA 0.468 4.810 4.340 0.004 0.000 0.272 164 R C -2.729 173.636 176.300 0.108 0.000 0.995 164 R CA -2.511 53.674 56.100 0.142 0.000 0.917 164 R CB 1.216 31.619 30.300 0.172 0.000 1.217 164 R HN 0.376 nan 8.270 nan 0.000 0.471 165 P HA 0.090 nan 4.420 nan 0.000 0.268 165 P C -0.546 176.764 177.300 0.016 0.000 1.208 165 P CA 0.063 63.167 63.100 0.006 0.000 0.777 165 P CB 0.616 32.279 31.700 -0.063 0.000 0.875 166 R N 2.107 122.588 120.500 -0.032 0.000 2.532 166 R HA 0.442 4.785 4.340 0.004 0.000 0.295 166 R C -0.831 175.442 176.300 -0.046 0.000 0.968 166 R CA -0.553 55.565 56.100 0.031 0.000 0.916 166 R CB 0.543 30.869 30.300 0.043 0.000 1.124 166 R HN 0.403 nan 8.270 nan 0.000 0.463 167 Y N 1.874 122.196 120.300 0.037 0.000 2.534 167 Y HA 0.331 4.884 4.550 0.004 0.000 0.329 167 Y C -0.121 175.796 175.900 0.029 0.000 1.154 167 Y CA -0.768 57.350 58.100 0.030 0.000 1.192 167 Y CB 1.027 39.503 38.460 0.025 0.000 1.275 167 Y HN 0.344 nan 8.280 nan 0.000 0.491 168 L N 0.688 122.034 121.223 0.206 0.000 2.399 168 L HA 0.319 4.662 4.340 0.004 0.000 0.266 168 L C 1.596 178.538 176.870 0.120 0.000 1.114 168 L CA 0.173 55.090 54.840 0.127 0.000 0.804 168 L CB 0.599 42.718 42.059 0.101 0.000 1.146 168 L HN 0.918 nan 8.230 nan 0.000 0.451 169 G N 2.444 111.293 108.800 0.083 0.000 2.535 169 G HA2 -0.089 3.874 3.960 0.004 0.000 0.218 169 G HA3 -0.089 3.874 3.960 0.004 0.000 0.218 169 G C 0.722 175.652 174.900 0.050 0.000 1.122 169 G CA 0.207 45.343 45.100 0.059 0.000 0.769 169 G HN 0.642 nan 8.290 nan 0.000 0.549 170 I N -1.521 119.087 120.570 0.064 0.000 2.779 170 I HA 0.356 4.529 4.170 0.004 0.000 0.285 170 I C -2.439 173.707 176.117 0.049 0.000 1.134 170 I CA -2.223 59.111 61.300 0.058 0.000 1.398 170 I CB 0.685 38.727 38.000 0.070 0.000 1.404 170 I HN -0.226 nan 8.210 nan 0.000 0.587 171 P HA 0.135 nan 4.420 nan 0.000 0.268 171 P C 0.721 178.049 177.300 0.047 0.000 1.204 171 P CA 0.960 64.077 63.100 0.027 0.000 0.768 171 P CB 0.865 32.588 31.700 0.038 0.000 0.842 172 G N 3.094 111.883 108.800 -0.017 0.000 2.241 172 G HA2 -0.320 3.642 3.960 0.004 0.000 0.244 172 G HA3 -0.320 3.642 3.960 0.004 0.000 0.244 172 G C 0.982 175.873 174.900 -0.015 0.000 0.998 172 G CA 0.732 45.810 45.100 -0.038 0.000 0.621 172 G HN 0.604 nan 8.290 nan 0.000 0.519 173 D N 0.807 121.231 120.400 0.039 0.000 2.087 173 D HA -0.084 4.558 4.640 0.004 0.000 0.192 173 D C 2.024 178.374 176.300 0.083 0.000 0.993 173 D CA 1.803 55.883 54.000 0.134 0.000 0.828 173 D CB -0.431 40.482 40.800 0.188 0.000 0.968 173 D HN 0.465 nan 8.370 nan 0.000 0.448 174 K N -0.132 120.139 120.400 -0.216 0.000 2.211 174 K HA -0.076 4.247 4.320 0.004 0.000 0.203 174 K C 2.046 178.496 176.600 -0.249 0.000 1.050 174 K CA 1.272 57.247 56.287 -0.521 0.000 0.945 174 K CB -0.028 32.091 32.500 -0.635 0.000 0.732 174 K HN 0.464 nan 8.250 nan 0.000 0.451 175 E N -0.417 119.607 120.200 -0.293 0.000 2.299 175 E HA -0.129 4.223 4.350 0.004 0.000 0.193 175 E C 0.785 177.217 176.600 -0.279 0.000 0.998 175 E CA 1.096 57.256 56.400 -0.399 0.000 0.851 175 E CB 0.010 29.302 29.700 -0.681 0.000 0.795 175 E HN 0.386 nan 8.360 nan 0.000 0.492 176 Y N 0.126 120.459 120.300 0.055 0.000 2.432 176 Y HA 0.264 4.817 4.550 0.004 0.000 0.252 176 Y C 0.995 176.950 175.900 0.092 0.000 1.097 176 Y CA -1.346 56.794 58.100 0.066 0.000 1.250 176 Y CB 0.258 38.751 38.460 0.054 0.000 1.245 176 Y HN -0.004 nan 8.280 nan 0.000 0.522 177 C N 1.467 120.925 119.300 0.263 0.000 2.423 177 C HA 0.785 5.247 4.460 0.004 0.000 0.378 177 C C 0.550 175.659 174.990 0.198 0.000 1.244 177 C CA -1.146 57.994 59.018 0.204 0.000 1.978 177 C CB 1.036 28.886 27.740 0.184 0.000 2.252 177 C HN 0.326 nan 8.230 nan 0.000 0.526 178 I N -0.077 120.549 120.570 0.094 0.000 3.170 178 I HA 0.878 5.050 4.170 0.004 0.000 0.312 178 I C -0.126 175.954 176.117 -0.062 0.000 1.085 178 I CA -0.166 61.166 61.300 0.053 0.000 0.999 178 I CB 2.037 40.039 38.000 0.003 0.000 1.233 178 I HN 0.738 nan 8.210 nan 0.000 0.467 179 S N 0.318 115.961 115.700 -0.095 0.000 2.811 179 S HA 0.370 4.842 4.470 0.004 0.000 0.311 179 S C 0.924 175.420 174.600 -0.173 0.000 1.152 179 S CA 0.069 58.161 58.200 -0.179 0.000 0.864 179 S CB 1.065 64.146 63.200 -0.198 0.000 1.226 179 S HN 0.962 nan 8.310 nan 0.000 0.541 180 S N 0.581 116.172 115.700 -0.181 0.000 2.370 180 S HA -0.196 4.277 4.470 0.004 0.000 0.226 180 S C 1.133 175.619 174.600 -0.191 0.000 1.033 180 S CA 1.901 59.959 58.200 -0.236 0.000 1.011 180 S CB -1.304 61.847 63.200 -0.082 0.000 0.852 180 S HN 0.710 nan 8.310 nan 0.000 0.457 181 D N 2.149 122.507 120.400 -0.070 0.000 2.149 181 D HA -0.121 4.521 4.640 0.004 0.000 0.194 181 D C 1.710 178.022 176.300 0.021 0.000 1.001 181 D CA 1.733 55.719 54.000 -0.024 0.000 0.849 181 D CB -0.458 40.487 40.800 0.241 0.000 0.939 181 D HN 0.594 nan 8.370 nan 0.000 0.449 182 D N -0.448 119.965 120.400 0.022 0.000 2.183 182 D HA -0.063 4.579 4.640 0.004 0.000 0.205 182 D C 2.251 178.522 176.300 -0.049 0.000 0.962 182 D CA 0.020 54.045 54.000 0.042 0.000 0.849 182 D CB -0.144 40.687 40.800 0.051 0.000 0.978 182 D HN 0.091 nan 8.370 nan 0.000 0.488 183 L N 1.057 122.153 121.223 -0.212 0.000 1.997 183 L HA -0.226 4.117 4.340 0.004 0.000 0.216 183 L C 1.657 178.464 176.870 -0.104 0.000 1.074 183 L CA 1.723 56.401 54.840 -0.270 0.000 0.763 183 L CB -0.917 40.798 42.059 -0.573 0.000 0.890 183 L HN -0.109 nan 8.230 nan 0.000 0.434 184 F N -0.485 119.532 119.950 0.112 0.000 2.805 184 F HA 0.045 4.575 4.527 0.004 0.000 0.301 184 F C 1.743 177.582 175.800 0.064 0.000 1.196 184 F CA 0.687 58.730 58.000 0.073 0.000 1.439 184 F CB -0.986 37.990 39.000 -0.040 0.000 1.117 184 F HN 0.286 nan 8.300 nan 0.000 0.581 185 S N -1.899 113.937 115.700 0.227 0.000 2.893 185 S HA 0.230 4.703 4.470 0.004 0.000 0.258 185 S C 0.146 174.857 174.600 0.186 0.000 1.034 185 S CA -0.491 57.825 58.200 0.194 0.000 1.167 185 S CB -0.499 62.807 63.200 0.177 0.000 1.137 185 S HN 0.106 nan 8.310 nan 0.000 0.650 186 L N 2.960 124.292 121.223 0.182 0.000 2.706 186 L HA 0.041 4.384 4.340 0.004 0.000 0.282 186 L C -1.587 175.333 176.870 0.083 0.000 1.219 186 L CA -0.709 54.096 54.840 -0.058 0.000 0.935 186 L CB 0.638 42.474 42.059 -0.371 0.000 1.204 186 L HN 0.084 nan 8.230 nan 0.000 0.491 187 P HA -0.075 nan 4.420 nan 0.000 0.234 187 P C -1.206 176.218 177.300 0.208 0.000 1.167 187 P CA 1.045 64.237 63.100 0.153 0.000 0.763 187 P CB 0.057 31.902 31.700 0.243 0.000 0.835 188 Y N -4.943 115.395 120.300 0.065 0.000 2.615 188 Y HA 0.522 5.074 4.550 0.004 0.000 0.341 188 Y C -0.462 175.145 175.900 -0.489 0.000 1.089 188 Y CA -2.180 55.880 58.100 -0.067 0.000 1.049 188 Y CB 0.076 38.498 38.460 -0.063 0.000 1.296 188 Y HN -0.385 nan 8.280 nan 0.000 0.470 189 C N 3.788 122.934 119.300 -0.257 0.000 2.648 189 C HA 0.241 4.703 4.460 0.004 0.000 0.415 189 C C -1.042 173.716 174.990 -0.387 0.000 1.366 189 C CA -1.195 57.489 59.018 -0.557 0.000 1.756 189 C CB -0.045 27.659 27.740 -0.061 0.000 2.549 189 C HN 0.786 nan 8.230 nan 0.000 0.597 190 P HA 0.107 nan 4.420 nan 0.000 0.219 190 P C 0.921 178.152 177.300 -0.114 0.000 1.146 190 P CA 2.135 65.038 63.100 -0.329 0.000 0.808 190 P CB -0.144 31.298 31.700 -0.429 0.000 0.779 191 G N -0.533 108.208 108.800 -0.098 0.000 2.693 191 G HA2 -0.283 3.680 3.960 0.004 0.000 0.226 191 G HA3 -0.283 3.680 3.960 0.004 0.000 0.226 191 G C -0.512 174.380 174.900 -0.012 0.000 1.354 191 G CA -0.324 44.760 45.100 -0.026 0.000 0.873 191 G HN 0.477 nan 8.290 nan 0.000 0.562 192 K N 0.118 120.533 120.400 0.025 0.000 2.447 192 K HA 0.458 4.780 4.320 0.004 0.000 0.281 192 K C 0.210 176.861 176.600 0.086 0.000 1.031 192 K CA 0.928 57.253 56.287 0.064 0.000 1.019 192 K CB 0.152 32.712 32.500 0.100 0.000 0.918 192 K HN 0.978 nan 8.250 nan 0.000 0.476 193 T N 3.637 118.193 114.554 0.002 0.000 2.903 193 T HA 0.439 4.791 4.350 0.004 0.000 0.299 193 T C -1.711 172.760 174.700 -0.381 0.000 1.093 193 T CA -1.001 61.013 62.100 -0.145 0.000 1.002 193 T CB 1.094 69.864 68.868 -0.164 0.000 1.127 193 T HN 0.492 nan 8.240 nan 0.000 0.488 194 L N 4.265 125.060 121.223 -0.714 0.000 2.329 194 L HA 0.855 5.197 4.340 0.004 0.000 0.279 194 L C -1.266 175.318 176.870 -0.478 0.000 1.014 194 L CA -0.483 53.843 54.840 -0.858 0.000 0.814 194 L CB 1.789 42.929 42.059 -1.531 0.000 1.257 194 L HN 0.547 nan 8.230 nan 0.000 0.424 195 V N 5.636 125.332 119.914 -0.365 0.000 2.444 195 V HA 0.454 4.577 4.120 0.004 0.000 0.294 195 V C -0.553 175.421 176.094 -0.200 0.000 1.022 195 V CA -0.659 61.484 62.300 -0.262 0.000 0.850 195 V CB 1.845 33.518 31.823 -0.250 0.000 0.992 195 V HN 0.523 nan 8.190 nan 0.000 0.426 196 V N 4.538 124.363 119.914 -0.148 0.000 2.370 196 V HA 0.960 5.082 4.120 0.004 0.000 0.279 196 V C 0.559 176.621 176.094 -0.054 0.000 1.029 196 V CA 0.484 62.735 62.300 -0.082 0.000 0.870 196 V CB 0.900 32.691 31.823 -0.054 0.000 0.984 196 V HN 1.231 nan 8.190 nan 0.000 0.451 197 G N 3.872 112.662 108.800 -0.018 0.000 2.335 197 G HA2 0.478 4.441 3.960 0.004 0.000 0.592 197 G HA3 0.478 4.441 3.960 0.004 0.000 0.592 197 G C -0.366 174.552 174.900 0.030 0.000 1.442 197 G CA -0.026 45.080 45.100 0.009 0.000 0.976 197 G HN 1.267 nan 8.290 nan 0.000 0.652 198 A N -0.085 122.775 122.820 0.068 0.000 2.624 198 A HA 0.753 5.075 4.320 0.004 0.000 0.287 198 A C 1.257 178.905 177.584 0.107 0.000 1.087 198 A CA 1.330 53.423 52.037 0.093 0.000 0.964 198 A CB -0.301 18.771 19.000 0.120 0.000 1.231 198 A HN 2.297 nan 8.150 nan 0.000 0.551 199 S N -0.606 115.170 115.700 0.126 0.000 2.552 199 S HA 0.369 4.841 4.470 0.004 0.000 0.271 199 S C 1.420 176.159 174.600 0.232 0.000 1.168 199 S CA 0.241 58.565 58.200 0.208 0.000 1.026 199 S CB -0.279 63.103 63.200 0.304 0.000 1.120 199 S HN 0.947 nan 8.310 nan 0.000 0.514 200 Y N 0.289 120.619 120.300 0.050 0.000 2.030 200 Y HA -0.082 4.470 4.550 0.004 0.000 0.274 200 Y C 2.196 178.135 175.900 0.067 0.000 1.153 200 Y CA 1.309 59.434 58.100 0.041 0.000 1.115 200 Y CB -1.981 36.533 38.460 0.091 0.000 0.969 200 Y HN 0.238 nan 8.280 nan 0.000 0.488 201 V N 1.746 121.389 119.914 -0.452 0.000 2.233 201 V HA -0.401 3.722 4.120 0.004 0.000 0.252 201 V C 2.980 178.997 176.094 -0.129 0.000 1.063 201 V CA 2.694 64.798 62.300 -0.326 0.000 1.032 201 V CB -1.866 29.755 31.823 -0.338 0.000 0.645 201 V HN 0.721 nan 8.190 nan 0.000 0.446 202 A N -0.260 122.507 122.820 -0.088 0.000 1.859 202 A HA -0.251 4.071 4.320 0.004 0.000 0.218 202 A C 2.250 179.783 177.584 -0.085 0.000 1.209 202 A CA 2.486 54.472 52.037 -0.084 0.000 0.639 202 A CB -0.800 18.178 19.000 -0.037 0.000 0.835 202 A HN 0.491 nan 8.150 nan 0.000 0.450 203 L N -0.979 120.232 121.223 -0.020 0.000 2.012 203 L HA -0.247 4.095 4.340 0.004 0.000 0.210 203 L C 2.766 179.627 176.870 -0.014 0.000 1.073 203 L CA 1.950 56.791 54.840 0.002 0.000 0.748 203 L CB -0.725 41.372 42.059 0.062 0.000 0.891 203 L HN 0.546 nan 8.230 nan 0.000 0.431 204 E N -0.614 119.597 120.200 0.018 0.000 2.038 204 E HA -0.250 4.102 4.350 0.004 0.000 0.195 204 E C 2.294 178.888 176.600 -0.011 0.000 1.000 204 E CA 1.847 58.285 56.400 0.063 0.000 0.803 204 E CB -0.227 29.557 29.700 0.141 0.000 0.750 204 E HN 0.562 nan 8.360 nan 0.000 0.448 205 C N 0.843 120.061 119.300 -0.136 0.000 2.413 205 C HA -0.125 4.337 4.460 0.004 0.000 0.276 205 C C 2.943 177.495 174.990 -0.731 0.000 1.236 205 C CA 0.790 59.437 59.018 -0.619 0.000 1.735 205 C CB -1.120 26.370 27.740 -0.417 0.000 2.031 205 C HN 0.523 nan 8.230 nan 0.000 0.474 206 A N 0.914 123.507 122.820 -0.378 0.000 1.940 206 A HA 0.043 4.366 4.320 0.004 0.000 0.219 206 A C 2.358 179.793 177.584 -0.248 0.000 1.176 206 A CA 2.156 54.002 52.037 -0.318 0.000 0.631 206 A CB -1.212 17.630 19.000 -0.263 0.000 0.814 206 A HN 0.574 nan 8.150 nan 0.000 0.446 207 G N 0.102 108.807 108.800 -0.159 0.000 2.453 207 G HA2 -0.201 3.761 3.960 0.004 0.000 0.215 207 G HA3 -0.201 3.761 3.960 0.004 0.000 0.215 207 G C 1.399 176.328 174.900 0.047 0.000 1.201 207 G CA 1.350 46.442 45.100 -0.013 0.000 0.784 207 G HN 0.824 nan 8.290 nan 0.000 0.545 208 F N 0.448 120.443 119.950 0.074 0.000 2.259 208 F HA 0.187 4.716 4.527 0.003 0.000 0.298 208 F C 2.071 177.916 175.800 0.075 0.000 1.088 208 F CA 0.160 58.223 58.000 0.105 0.000 1.358 208 F CB -0.770 38.319 39.000 0.148 0.000 1.040 208 F HN -0.023 nan 8.300 nan 0.000 0.505 209 L N 1.571 122.647 121.223 -0.246 0.000 2.043 209 L HA -0.149 4.193 4.340 0.004 0.000 0.212 209 L C 2.773 179.655 176.870 0.020 0.000 1.075 209 L CA 1.662 56.469 54.840 -0.054 0.000 0.752 209 L CB -1.935 39.991 42.059 -0.222 0.000 0.891 209 L HN 0.398 nan 8.230 nan 0.000 0.432 210 A N -0.820 121.990 122.820 -0.016 0.000 1.898 210 A HA -0.024 4.299 4.320 0.004 0.000 0.216 210 A C 2.375 179.992 177.584 0.055 0.000 1.181 210 A CA 1.382 53.426 52.037 0.012 0.000 0.620 210 A CB -1.152 17.849 19.000 0.003 0.000 0.819 210 A HN 0.432 nan 8.150 nan 0.000 0.442 211 G N -0.756 108.102 108.800 0.097 0.000 2.509 211 G HA2 -0.060 3.902 3.960 0.004 0.000 0.218 211 G HA3 -0.060 3.902 3.960 0.004 0.000 0.218 211 G C 1.163 176.092 174.900 0.049 0.000 1.124 211 G CA 1.044 46.205 45.100 0.101 0.000 0.776 211 G HN 0.387 nan 8.290 nan 0.000 0.547 212 I N 0.234 120.819 120.570 0.025 0.000 3.728 212 I HA 0.308 4.481 4.170 0.004 0.000 0.307 212 I C 1.852 177.939 176.117 -0.050 0.000 1.276 212 I CA 0.451 61.672 61.300 -0.130 0.000 1.285 212 I CB 0.328 38.229 38.000 -0.165 0.000 1.038 212 I HN 0.262 nan 8.210 nan 0.000 0.445 213 G N -0.219 108.596 108.800 0.024 0.000 2.175 213 G HA2 -0.141 3.821 3.960 0.004 0.000 0.182 213 G HA3 -0.141 3.821 3.960 0.004 0.000 0.182 213 G C 0.250 175.180 174.900 0.049 0.000 1.003 213 G CA -0.183 44.945 45.100 0.048 0.000 0.666 213 G HN 0.214 nan 8.290 nan 0.000 0.506 214 L N 0.983 122.230 121.223 0.040 0.000 2.399 214 L HA 0.511 4.853 4.340 0.004 0.000 0.265 214 L C 0.160 177.033 176.870 0.005 0.000 1.089 214 L CA -0.962 53.892 54.840 0.024 0.000 0.802 214 L CB 1.006 43.071 42.059 0.011 0.000 1.180 214 L HN 0.159 nan 8.230 nan 0.000 0.454 215 D N 1.984 122.388 120.400 0.006 0.000 2.338 215 D HA 0.262 4.904 4.640 0.004 0.000 0.255 215 D C -0.995 175.297 176.300 -0.014 0.000 1.237 215 D CA -0.021 53.983 54.000 0.005 0.000 0.883 215 D CB 1.059 41.873 40.800 0.023 0.000 1.087 215 D HN 0.096 nan 8.370 nan 0.000 0.485 216 V N 3.577 123.463 119.914 -0.047 0.000 2.656 216 V HA 0.498 4.620 4.120 0.004 0.000 0.307 216 V C 0.218 176.224 176.094 -0.148 0.000 1.051 216 V CA -0.685 61.548 62.300 -0.112 0.000 0.893 216 V CB 2.264 34.003 31.823 -0.141 0.000 0.999 216 V HN 0.599 nan 8.190 nan 0.000 0.426 217 T N 3.036 117.465 114.554 -0.208 0.000 2.886 217 T HA 0.576 4.928 4.350 0.004 0.000 0.292 217 T C -0.833 173.666 174.700 -0.335 0.000 1.012 217 T CA -0.444 61.513 62.100 -0.238 0.000 0.982 217 T CB 1.956 70.757 68.868 -0.112 0.000 1.018 217 T HN 0.338 nan 8.240 nan 0.000 0.451 218 V N 4.091 123.752 119.914 -0.423 0.000 2.384 218 V HA 0.483 4.605 4.120 0.004 0.000 0.287 218 V C -0.074 175.916 176.094 -0.172 0.000 1.020 218 V CA -0.763 61.312 62.300 -0.376 0.000 0.850 218 V CB 1.396 32.824 31.823 -0.660 0.000 0.987 218 V HN 0.902 nan 8.190 nan 0.000 0.436 219 M N 7.784 127.326 119.600 -0.096 0.000 2.088 219 M HA 0.640 5.123 4.480 0.004 0.000 0.346 219 M C -0.763 175.581 176.300 0.074 0.000 1.111 219 M CA -0.441 54.866 55.300 0.011 0.000 1.017 219 M CB 1.360 33.963 32.600 0.004 0.000 1.568 219 M HN 0.572 nan 8.290 nan 0.000 0.445 220 V N 4.163 124.164 119.914 0.145 0.000 2.532 220 V HA 0.527 4.649 4.120 0.004 0.000 0.295 220 V C 0.646 176.826 176.094 0.143 0.000 1.041 220 V CA -0.505 61.882 62.300 0.145 0.000 0.926 220 V CB 1.776 33.703 31.823 0.174 0.000 0.992 220 V HN 1.146 nan 8.190 nan 0.000 0.457 221 R N 3.240 123.806 120.500 0.110 0.000 2.055 221 R HA 0.067 4.410 4.340 0.004 0.000 0.226 221 R C 1.715 178.064 176.300 0.080 0.000 1.135 221 R CA 2.023 58.178 56.100 0.093 0.000 0.959 221 R CB -0.022 30.321 30.300 0.072 0.000 0.854 221 R HN 1.033 nan 8.270 nan 0.000 0.431 222 S N -1.193 114.553 115.700 0.077 0.000 3.571 222 S HA 0.286 4.758 4.470 0.004 0.000 0.175 222 S C 0.549 175.188 174.600 0.065 0.000 0.907 222 S CA -0.676 57.562 58.200 0.064 0.000 1.087 222 S CB -0.135 63.097 63.200 0.054 0.000 1.471 222 S HN 0.162 nan 8.310 nan 0.000 0.877 223 I N 1.629 122.238 120.570 0.064 0.000 2.793 223 I HA 0.479 4.651 4.170 0.004 0.000 0.313 223 I C -1.163 174.997 176.117 0.073 0.000 0.998 223 I CA -1.522 59.813 61.300 0.058 0.000 1.140 223 I CB 1.593 39.628 38.000 0.058 0.000 1.327 223 I HN 0.455 nan 8.210 nan 0.000 0.491 224 L N 5.586 126.846 121.223 0.061 0.000 2.357 224 L HA 0.304 4.647 4.340 0.004 0.000 0.273 224 L C 0.175 177.093 176.870 0.081 0.000 1.080 224 L CA -0.791 54.093 54.840 0.072 0.000 0.803 224 L CB 1.147 43.231 42.059 0.041 0.000 1.174 224 L HN 0.636 nan 8.230 nan 0.000 0.443 225 L N 1.803 123.078 121.223 0.087 0.000 3.739 225 L HA -0.235 4.108 4.340 0.004 0.000 0.442 225 L C 0.882 177.906 176.870 0.257 0.000 1.241 225 L CA 0.283 55.176 54.840 0.089 0.000 0.819 225 L CB -1.226 40.762 42.059 -0.119 0.000 1.679 225 L HN 0.696 nan 8.230 nan 0.000 0.889 226 R N 0.781 121.412 120.500 0.218 0.000 2.537 226 R HA 0.254 4.596 4.340 0.004 0.000 0.281 226 R C 1.387 177.857 176.300 0.283 0.000 0.988 226 R CA 1.291 57.515 56.100 0.206 0.000 1.077 226 R CB 0.332 30.718 30.300 0.145 0.000 0.932 226 R HN 0.467 nan 8.270 nan 0.000 0.409 227 G N 3.183 112.122 108.800 0.232 0.000 2.339 227 G HA2 -0.238 3.725 3.960 0.004 0.000 0.209 227 G HA3 -0.238 3.725 3.960 0.004 0.000 0.209 227 G C -0.362 174.613 174.900 0.125 0.000 1.015 227 G CA -0.083 45.097 45.100 0.133 0.000 0.635 227 G HN 0.498 nan 8.290 nan 0.000 0.499 228 F N 1.778 121.795 119.950 0.112 0.000 2.457 228 F HA 0.589 5.119 4.527 0.005 0.000 0.330 228 F C 0.622 176.525 175.800 0.172 0.000 1.069 228 F CA -1.716 56.389 58.000 0.174 0.000 1.009 228 F CB 0.438 39.604 39.000 0.276 0.000 1.276 228 F HN -0.042 nan 8.300 nan 0.000 0.492 229 D N 1.905 122.585 120.400 0.468 0.000 2.503 229 D HA -0.109 4.534 4.640 0.004 0.000 0.280 229 D C 1.142 177.540 176.300 0.163 0.000 1.405 229 D CA 0.278 54.439 54.000 0.268 0.000 1.049 229 D CB 0.582 41.522 40.800 0.234 0.000 1.127 229 D HN 0.387 nan 8.370 nan 0.000 0.551 230 Q N 2.883 122.754 119.800 0.118 0.000 2.197 230 Q HA -0.239 4.104 4.340 0.004 0.000 0.211 230 Q C 1.430 177.433 176.000 0.004 0.000 0.993 230 Q CA 1.743 57.584 55.803 0.063 0.000 0.883 230 Q CB -0.292 28.476 28.738 0.050 0.000 0.916 230 Q HN 0.685 nan 8.270 nan 0.000 0.418 231 D N -0.965 119.427 120.400 -0.013 0.000 2.097 231 D HA -0.122 4.521 4.640 0.004 0.000 0.197 231 D C 1.729 177.967 176.300 -0.105 0.000 0.984 231 D CA 1.066 55.032 54.000 -0.056 0.000 0.826 231 D CB 0.071 40.843 40.800 -0.046 0.000 0.973 231 D HN 0.057 nan 8.370 nan 0.000 0.460 232 M N 0.599 120.132 119.600 -0.111 0.000 2.108 232 M HA -0.113 4.370 4.480 0.004 0.000 0.261 232 M C 2.385 178.517 176.300 -0.281 0.000 1.066 232 M CA 1.401 56.545 55.300 -0.260 0.000 1.107 232 M CB -1.354 30.955 32.600 -0.485 0.000 1.356 232 M HN 0.176 nan 8.290 nan 0.000 0.406 233 A N 1.089 123.812 122.820 -0.163 0.000 1.851 233 A HA -0.207 4.115 4.320 0.004 0.000 0.216 233 A C 2.021 179.548 177.584 -0.095 0.000 1.195 233 A CA 1.982 53.955 52.037 -0.107 0.000 0.622 233 A CB -0.932 18.057 19.000 -0.018 0.000 0.831 233 A HN 0.513 nan 8.150 nan 0.000 0.444 234 N N -0.011 118.637 118.700 -0.086 0.000 2.137 234 N HA -0.177 4.566 4.740 0.004 0.000 0.190 234 N C 1.665 177.116 175.510 -0.099 0.000 1.017 234 N CA 1.711 54.705 53.050 -0.095 0.000 0.859 234 N CB -0.331 38.104 38.487 -0.086 0.000 1.002 234 N HN 0.587 nan 8.380 nan 0.000 0.428 235 K N 0.667 120.998 120.400 -0.115 0.000 2.057 235 K HA 0.013 4.336 4.320 0.004 0.000 0.206 235 K C 2.187 178.768 176.600 -0.031 0.000 1.050 235 K CA 0.682 56.914 56.287 -0.092 0.000 0.935 235 K CB -0.133 32.274 32.500 -0.155 0.000 0.715 235 K HN 0.115 nan 8.250 nan 0.000 0.439 236 I N 0.735 121.268 120.570 -0.061 0.000 2.194 236 I HA -0.274 3.899 4.170 0.004 0.000 0.246 236 I C 2.451 178.607 176.117 0.066 0.000 1.093 236 I CA 1.568 62.866 61.300 -0.003 0.000 1.355 236 I CB -0.610 37.373 38.000 -0.027 0.000 1.046 236 I HN 0.326 nan 8.210 nan 0.000 0.413 237 G N 0.115 108.912 108.800 -0.005 0.000 2.421 237 G HA2 -0.223 3.739 3.960 0.004 0.000 0.216 237 G HA3 -0.223 3.739 3.960 0.004 0.000 0.216 237 G C 1.502 176.361 174.900 -0.069 0.000 1.171 237 G CA 0.612 45.669 45.100 -0.073 0.000 0.775 237 G HN 0.422 nan 8.290 nan 0.000 0.543 238 E N -0.498 119.669 120.200 -0.055 0.000 2.153 238 E HA -0.160 4.193 4.350 0.004 0.000 0.194 238 E C 2.165 178.819 176.600 0.089 0.000 0.988 238 E CA 0.689 57.074 56.400 -0.024 0.000 0.811 238 E CB -0.239 29.442 29.700 -0.032 0.000 0.746 238 E HN 0.526 nan 8.360 nan 0.000 0.466 239 H N 1.020 120.125 119.070 0.058 0.000 2.270 239 H HA -0.072 4.487 4.556 0.004 0.000 0.299 239 H C 2.087 177.538 175.328 0.204 0.000 1.077 239 H CA 1.589 57.711 56.048 0.123 0.000 1.294 239 H CB -0.061 29.726 29.762 0.042 0.000 1.371 239 H HN 0.135 nan 8.280 nan 0.000 0.491 240 M N 0.424 120.238 119.600 0.358 0.000 2.195 240 M HA -0.179 4.303 4.480 0.004 0.000 0.260 240 M C 2.399 178.901 176.300 0.337 0.000 1.066 240 M CA 1.728 57.238 55.300 0.350 0.000 1.089 240 M CB -0.216 32.620 32.600 0.393 0.000 1.377 240 M HN 0.367 nan 8.290 nan 0.000 0.411 241 E N 0.660 121.057 120.200 0.328 0.000 2.072 241 E HA -0.187 4.166 4.350 0.004 0.000 0.190 241 E C 1.558 178.225 176.600 0.111 0.000 0.982 241 E CA 1.071 57.628 56.400 0.262 0.000 0.803 241 E CB 0.111 29.887 29.700 0.126 0.000 0.755 241 E HN 0.554 nan 8.360 nan 0.000 0.453 242 E N -0.695 119.545 120.200 0.066 0.000 2.418 242 E HA -0.122 4.231 4.350 0.004 0.000 0.197 242 E C 0.148 176.596 176.600 -0.254 0.000 1.026 242 E CA 0.498 56.842 56.400 -0.095 0.000 0.862 242 E CB 0.056 29.667 29.700 -0.149 0.000 0.799 242 E HN 0.340 nan 8.360 nan 0.000 0.518 243 H N -0.798 118.208 119.070 -0.106 0.000 2.507 243 H HA 0.301 4.860 4.556 0.004 0.000 0.271 243 H C 0.652 175.968 175.328 -0.020 0.000 1.224 243 H CA 0.127 56.122 56.048 -0.088 0.000 1.000 243 H CB 0.569 30.250 29.762 -0.136 0.000 1.663 243 H HN 0.184 nan 8.280 nan 0.000 0.548 244 G N 0.771 109.589 108.800 0.031 0.000 2.168 244 G HA2 -0.292 3.671 3.960 0.004 0.000 0.257 244 G HA3 -0.292 3.671 3.960 0.004 0.000 0.257 244 G C 0.111 175.026 174.900 0.025 0.000 0.997 244 G CA 0.044 45.158 45.100 0.023 0.000 0.708 244 G HN 0.471 nan 8.290 nan 0.000 0.520 245 I N 0.494 121.092 120.570 0.047 0.000 2.336 245 I HA 0.295 4.468 4.170 0.004 0.000 0.292 245 I C 0.445 176.540 176.117 -0.037 0.000 0.991 245 I CA -0.674 60.599 61.300 -0.045 0.000 1.227 245 I CB 1.272 39.224 38.000 -0.080 0.000 1.366 245 I HN 0.020 nan 8.210 nan 0.000 0.466 246 K N 6.124 126.464 120.400 -0.099 0.000 2.143 246 K HA 0.569 4.892 4.320 0.004 0.000 0.272 246 K C -1.179 175.341 176.600 -0.133 0.000 1.001 246 K CA -0.222 56.054 56.287 -0.018 0.000 0.915 246 K CB 1.133 33.629 32.500 -0.006 0.000 1.047 246 K HN 0.244 nan 8.250 nan 0.000 0.458 247 F N 1.687 121.629 119.950 -0.014 0.000 2.532 247 F HA 0.475 5.004 4.527 0.003 0.000 0.321 247 F C -0.138 175.646 175.800 -0.025 0.000 1.089 247 F CA -0.852 57.139 58.000 -0.015 0.000 0.926 247 F CB 1.342 40.341 39.000 -0.002 0.000 1.168 247 F HN 0.219 nan 8.300 nan 0.000 0.459 248 I N 4.548 125.209 120.570 0.152 0.000 2.382 248 I HA 0.396 4.569 4.170 0.004 0.000 0.286 248 I C -0.632 175.571 176.117 0.143 0.000 1.002 248 I CA -0.889 60.434 61.300 0.039 0.000 1.135 248 I CB 0.998 38.928 38.000 -0.115 0.000 1.288 248 I HN 0.381 nan 8.210 nan 0.000 0.448 249 R N 4.826 125.435 120.500 0.182 0.000 2.368 249 R HA 0.392 4.734 4.340 0.004 0.000 0.302 249 R C -0.344 176.169 176.300 0.355 0.000 1.002 249 R CA -0.775 55.461 56.100 0.227 0.000 0.929 249 R CB 0.932 31.319 30.300 0.145 0.000 1.073 249 R HN 0.546 nan 8.270 nan 0.000 0.464 250 Q N 0.619 120.570 119.800 0.252 0.000 2.457 250 Q HA -0.210 4.133 4.340 0.004 0.000 0.333 250 Q C -1.444 174.659 176.000 0.172 0.000 1.448 250 Q CA 0.894 56.798 55.803 0.168 0.000 0.891 250 Q CB -1.170 27.609 28.738 0.069 0.000 1.142 250 Q HN 0.435 nan 8.270 nan 0.000 0.375 251 F N -1.394 118.584 119.950 0.046 0.000 2.631 251 F HA 0.748 5.278 4.527 0.005 0.000 0.308 251 F C -0.327 175.497 175.800 0.041 0.000 1.097 251 F CA -0.942 57.084 58.000 0.044 0.000 0.952 251 F CB 1.916 40.946 39.000 0.050 0.000 1.307 251 F HN -0.163 nan 8.300 nan 0.000 0.450 252 V N 2.665 122.702 119.914 0.205 0.000 2.668 252 V HA 0.413 4.536 4.120 0.004 0.000 0.304 252 V C -2.454 173.723 176.094 0.139 0.000 1.071 252 V CA -2.147 60.235 62.300 0.137 0.000 0.894 252 V CB 2.033 33.903 31.823 0.077 0.000 1.008 252 V HN 0.453 nan 8.190 nan 0.000 0.425 253 P HA 0.070 nan 4.420 nan 0.000 0.266 253 P C 0.729 178.089 177.300 0.100 0.000 1.186 253 P CA 0.535 63.705 63.100 0.116 0.000 0.767 253 P CB 0.522 32.279 31.700 0.094 0.000 0.820 254 T N -0.943 113.670 114.554 0.099 0.000 2.964 254 T HA 0.206 4.559 4.350 0.004 0.000 0.250 254 T C 0.172 174.918 174.700 0.077 0.000 0.982 254 T CA -0.063 62.085 62.100 0.080 0.000 0.959 254 T CB 0.117 69.030 68.868 0.074 0.000 1.141 254 T HN 0.533 nan 8.240 nan 0.000 0.494 255 K N 0.549 121.003 120.400 0.089 0.000 2.572 255 K HA 0.616 4.939 4.320 0.004 0.000 0.263 255 K C -2.142 174.526 176.600 0.112 0.000 0.932 255 K CA -1.038 55.304 56.287 0.092 0.000 0.838 255 K CB 1.545 34.092 32.500 0.078 0.000 1.366 255 K HN 0.025 nan 8.250 nan 0.000 0.425 256 I N 3.034 123.689 120.570 0.141 0.000 2.468 256 I HA 0.240 4.412 4.170 0.004 0.000 0.285 256 I C -0.649 175.601 176.117 0.222 0.000 1.039 256 I CA -0.405 60.997 61.300 0.170 0.000 1.074 256 I CB 1.829 39.952 38.000 0.205 0.000 1.228 256 I HN 0.847 nan 8.210 nan 0.000 0.436 257 E N 6.057 126.327 120.200 0.116 0.000 2.277 257 E HA 0.373 4.725 4.350 0.004 0.000 0.266 257 E C -1.052 175.440 176.600 -0.179 0.000 0.901 257 E CA -0.922 55.522 56.400 0.074 0.000 0.782 257 E CB 2.750 32.492 29.700 0.071 0.000 1.228 257 E HN 0.536 nan 8.360 nan 0.000 0.424 258 Q N 3.057 122.595 119.800 -0.436 0.000 2.349 258 Q HA 0.208 4.551 4.340 0.004 0.000 0.254 258 Q C 0.107 175.954 176.000 -0.255 0.000 0.980 258 Q CA -0.206 55.259 55.803 -0.564 0.000 0.924 258 Q CB 0.789 28.951 28.738 -0.959 0.000 1.209 258 Q HN 0.781 nan 8.270 nan 0.000 0.445 259 I N 2.785 123.246 120.570 -0.182 0.000 2.617 259 I HA -0.034 4.139 4.170 0.004 0.000 0.256 259 I C 0.373 176.427 176.117 -0.106 0.000 1.167 259 I CA 0.933 62.163 61.300 -0.115 0.000 1.469 259 I CB 0.399 38.343 38.000 -0.094 0.000 1.098 259 I HN 0.681 nan 8.210 nan 0.000 0.436 260 E N -0.476 119.648 120.200 -0.127 0.000 2.354 260 E HA 0.510 4.862 4.350 0.004 0.000 0.283 260 E C -0.977 175.557 176.600 -0.111 0.000 0.938 260 E CA -0.523 55.817 56.400 -0.100 0.000 0.777 260 E CB 1.543 31.194 29.700 -0.082 0.000 1.222 260 E HN 0.122 nan 8.360 nan 0.000 0.423 261 A N 2.052 124.822 122.820 -0.084 0.000 2.327 261 A HA 0.858 5.181 4.320 0.004 0.000 0.255 261 A C 0.542 178.073 177.584 -0.088 0.000 1.099 261 A CA 0.712 52.705 52.037 -0.074 0.000 0.801 261 A CB 0.452 19.428 19.000 -0.040 0.000 1.062 261 A HN 0.874 nan 8.150 nan 0.000 0.496 262 G N -1.649 107.087 108.800 -0.106 0.000 2.353 262 G HA2 0.459 4.422 3.960 0.004 0.000 0.308 262 G HA3 0.459 4.422 3.960 0.004 0.000 0.308 262 G C 0.159 174.907 174.900 -0.253 0.000 1.418 262 G CA 0.554 45.570 45.100 -0.141 0.000 0.966 262 G HN 1.557 nan 8.290 nan 0.000 0.638 263 T N -0.806 113.564 114.554 -0.308 0.000 2.571 263 T HA 0.098 4.451 4.350 0.004 0.000 0.225 263 T C -1.671 172.538 174.700 -0.819 0.000 1.319 263 T CA 1.175 62.895 62.100 -0.633 0.000 1.602 263 T CB -1.212 67.397 68.868 -0.431 0.000 0.979 263 T HN 0.426 nan 8.240 nan 0.000 0.379 264 P HA 0.299 nan 4.420 nan 0.000 0.263 264 P C 0.304 177.479 177.300 -0.208 0.000 1.276 264 P CA 0.126 63.048 63.100 -0.296 0.000 0.986 264 P CB -0.041 31.598 31.700 -0.102 0.000 1.105 265 G N 3.678 112.360 108.800 -0.197 0.000 2.509 265 G HA2 0.478 4.441 3.960 0.004 0.000 0.269 265 G HA3 0.478 4.441 3.960 0.004 0.000 0.269 265 G C -0.565 174.278 174.900 -0.096 0.000 1.416 265 G CA -0.763 44.255 45.100 -0.138 0.000 1.052 265 G HN 0.375 nan 8.290 nan 0.000 0.542 266 R N -0.486 119.954 120.500 -0.101 0.000 2.476 266 R HA 0.517 4.860 4.340 0.004 0.000 0.305 266 R C -1.708 174.527 176.300 -0.108 0.000 0.965 266 R CA -0.879 55.170 56.100 -0.085 0.000 0.867 266 R CB 1.673 31.924 30.300 -0.081 0.000 1.176 266 R HN 0.128 nan 8.270 nan 0.000 0.447 267 L N 2.319 123.506 121.223 -0.060 0.000 2.334 267 L HA 0.484 4.827 4.340 0.004 0.000 0.276 267 L C 0.095 176.951 176.870 -0.023 0.000 1.014 267 L CA -0.736 54.067 54.840 -0.062 0.000 0.815 267 L CB 1.427 43.494 42.059 0.013 0.000 1.268 267 L HN 0.625 nan 8.230 nan 0.000 0.428 268 K N 2.294 122.673 120.400 -0.035 0.000 2.339 268 K HA 0.610 4.933 4.320 0.004 0.000 0.264 268 K C -1.452 175.175 176.600 0.045 0.000 0.986 268 K CA -0.389 55.882 56.287 -0.027 0.000 0.866 268 K CB 1.384 33.853 32.500 -0.051 0.000 1.103 268 K HN 0.390 nan 8.250 nan 0.000 0.441 269 V N 3.087 123.060 119.914 0.098 0.000 2.532 269 V HA 0.430 4.552 4.120 0.004 0.000 0.295 269 V C 0.057 176.220 176.094 0.115 0.000 1.041 269 V CA -0.622 61.772 62.300 0.156 0.000 0.926 269 V CB 1.605 33.604 31.823 0.292 0.000 0.992 269 V HN 0.969 nan 8.190 nan 0.000 0.457 270 T N 1.205 115.826 114.554 0.112 0.000 2.912 270 T HA 0.893 5.245 4.350 0.004 0.000 0.299 270 T C -0.744 174.038 174.700 0.136 0.000 1.052 270 T CA -0.308 61.855 62.100 0.106 0.000 0.996 270 T CB 1.991 70.907 68.868 0.080 0.000 1.070 270 T HN 1.292 nan 8.240 nan 0.000 0.465 271 A N 2.278 125.208 122.820 0.184 0.000 2.539 271 A HA 0.853 5.175 4.320 0.004 0.000 0.296 271 A C -0.875 176.891 177.584 0.304 0.000 1.073 271 A CA -0.998 51.189 52.037 0.250 0.000 0.700 271 A CB 1.951 21.148 19.000 0.329 0.000 1.296 271 A HN 1.032 nan 8.150 nan 0.000 0.405 272 K N 0.288 120.785 120.400 0.161 0.000 2.350 272 K HA 0.746 5.068 4.320 0.004 0.000 0.241 272 K C 0.134 176.573 176.600 -0.268 0.000 0.994 272 K CA -0.024 56.249 56.287 -0.024 0.000 0.839 272 K CB 1.830 34.316 32.500 -0.023 0.000 1.244 272 K HN 0.947 nan 8.250 nan 0.000 0.443 273 S N -0.596 114.784 115.700 -0.534 0.000 2.702 273 S HA 0.175 4.647 4.470 0.004 0.000 0.272 273 S C 0.827 175.262 174.600 -0.275 0.000 1.068 273 S CA -0.033 57.812 58.200 -0.593 0.000 0.964 273 S CB 0.593 63.186 63.200 -1.011 0.000 1.307 273 S HN 0.701 nan 8.310 nan 0.000 0.567 274 T N -1.479 112.939 114.554 -0.226 0.000 3.163 274 T HA 0.289 4.641 4.350 0.004 0.000 0.252 274 T C -0.009 174.624 174.700 -0.112 0.000 1.056 274 T CA -0.044 61.983 62.100 -0.121 0.000 0.947 274 T CB -1.026 67.792 68.868 -0.083 0.000 1.016 274 T HN 0.558 nan 8.240 nan 0.000 0.554 275 N N 0.184 118.789 118.700 -0.159 0.000 2.184 275 N HA 0.333 5.076 4.740 0.004 0.000 0.206 275 N C 0.714 176.173 175.510 -0.086 0.000 1.151 275 N CA 0.096 53.082 53.050 -0.107 0.000 0.878 275 N CB 0.633 39.061 38.487 -0.098 0.000 1.014 275 N HN 0.220 nan 8.380 nan 0.000 0.512 276 S N -0.688 114.953 115.700 -0.098 0.000 2.427 276 S HA -0.239 4.234 4.470 0.004 0.000 0.253 276 S C 0.198 174.774 174.600 -0.041 0.000 1.246 276 S CA 1.255 59.421 58.200 -0.057 0.000 1.421 276 S CB -1.331 61.850 63.200 -0.032 0.000 1.769 276 S HN 0.806 nan 8.310 nan 0.000 0.620 277 E N 1.507 121.676 120.200 -0.052 0.000 2.374 277 E HA 0.468 4.821 4.350 0.004 0.000 0.260 277 E C -0.231 176.396 176.600 0.044 0.000 1.101 277 E CA -0.444 55.960 56.400 0.007 0.000 0.907 277 E CB 0.732 30.459 29.700 0.044 0.000 1.014 277 E HN 0.408 nan 8.360 nan 0.000 0.427 278 E N 1.305 121.571 120.200 0.110 0.000 2.222 278 E HA 0.249 4.602 4.350 0.004 0.000 0.267 278 E C -1.496 175.223 176.600 0.198 0.000 0.884 278 E CA -0.781 55.709 56.400 0.150 0.000 0.764 278 E CB 1.839 31.590 29.700 0.086 0.000 1.169 278 E HN 0.657 nan 8.360 nan 0.000 0.413 279 T N 1.479 116.176 114.554 0.238 0.000 2.879 279 T HA 0.432 4.785 4.350 0.004 0.000 0.290 279 T C 0.316 175.057 174.700 0.067 0.000 0.993 279 T CA -0.921 61.250 62.100 0.118 0.000 0.975 279 T CB 0.428 69.312 68.868 0.027 0.000 0.981 279 T HN 0.476 nan 8.240 nan 0.000 0.439 280 I N 0.301 120.887 120.570 0.026 0.000 2.227 280 I HA 0.384 4.557 4.170 0.004 0.000 0.297 280 I C 0.064 176.156 176.117 -0.041 0.000 1.173 280 I CA -0.737 60.565 61.300 0.004 0.000 1.356 280 I CB -0.025 37.970 38.000 -0.009 0.000 1.485 280 I HN 0.458 nan 8.210 nan 0.000 0.604 281 E N 5.408 125.594 120.200 -0.023 0.000 2.924 281 E HA -0.102 4.250 4.350 0.004 0.000 0.236 281 E C -0.036 176.406 176.600 -0.263 0.000 1.028 281 E CA 0.496 56.852 56.400 -0.072 0.000 0.952 281 E CB -0.072 29.714 29.700 0.143 0.000 0.918 281 E HN 0.685 nan 8.360 nan 0.000 0.536 282 D N 2.946 123.160 120.400 -0.310 0.000 2.836 282 D HA -0.187 4.455 4.640 0.004 0.000 0.220 282 D C 0.508 176.381 176.300 -0.712 0.000 1.094 282 D CA 0.424 54.191 54.000 -0.388 0.000 0.820 282 D CB 0.217 40.809 40.800 -0.346 0.000 1.171 282 D HN 0.458 nan 8.370 nan 0.000 0.507 283 E N 0.291 120.209 120.200 -0.470 0.000 2.570 283 E HA 0.052 4.404 4.350 0.004 0.000 0.274 283 E C -0.608 175.580 176.600 -0.687 0.000 1.073 283 E CA 0.172 56.311 56.400 -0.435 0.000 1.005 283 E CB 0.075 29.646 29.700 -0.215 0.000 1.008 283 E HN 0.446 nan 8.360 nan 0.000 0.460 284 F N -0.349 119.569 119.950 -0.054 0.000 2.691 284 F HA 0.308 4.837 4.527 0.004 0.000 0.334 284 F C 1.233 176.999 175.800 -0.058 0.000 1.107 284 F CA -1.047 56.920 58.000 -0.055 0.000 0.991 284 F CB 1.000 39.968 39.000 -0.054 0.000 1.400 284 F HN 0.285 nan 8.300 nan 0.000 0.503 285 N N -0.814 117.982 118.700 0.160 0.000 2.387 285 N HA 0.088 4.830 4.740 0.004 0.000 0.176 285 N C -0.252 175.295 175.510 0.061 0.000 1.022 285 N CA 0.904 53.989 53.050 0.059 0.000 0.883 285 N CB 0.417 38.921 38.487 0.028 0.000 1.019 285 N HN 0.433 nan 8.380 nan 0.000 0.435 286 T N 0.532 115.122 114.554 0.060 0.000 2.916 286 T HA 0.423 4.776 4.350 0.004 0.000 0.298 286 T C -0.909 173.763 174.700 -0.047 0.000 1.031 286 T CA -0.419 61.694 62.100 0.022 0.000 0.993 286 T CB 2.859 71.716 68.868 -0.018 0.000 1.045 286 T HN -0.359 nan 8.240 nan 0.000 0.454 287 V N 4.488 124.381 119.914 -0.034 0.000 2.313 287 V HA 0.399 4.522 4.120 0.004 0.000 0.278 287 V C -0.024 176.009 176.094 -0.102 0.000 1.017 287 V CA -0.754 61.484 62.300 -0.103 0.000 0.823 287 V CB 1.331 33.139 31.823 -0.025 0.000 1.010 287 V HN 0.724 nan 8.190 nan 0.000 0.443 288 L N 5.284 126.405 121.223 -0.169 0.000 2.325 288 L HA 0.264 4.606 4.340 0.004 0.000 0.284 288 L C 0.750 177.526 176.870 -0.156 0.000 1.089 288 L CA -0.169 54.569 54.840 -0.169 0.000 0.836 288 L CB 1.110 43.041 42.059 -0.213 0.000 1.184 288 L HN 0.618 nan 8.230 nan 0.000 0.444 289 L N 4.756 125.892 121.223 -0.145 0.000 2.592 289 L HA 0.277 4.619 4.340 0.004 0.000 0.227 289 L C 1.217 177.981 176.870 -0.176 0.000 1.127 289 L CA 0.302 55.054 54.840 -0.148 0.000 0.884 289 L CB -0.087 41.876 42.059 -0.159 0.000 1.065 289 L HN 0.664 nan 8.230 nan 0.000 0.457 290 A N -0.226 122.486 122.820 -0.180 0.000 2.545 290 A HA 0.354 4.676 4.320 0.004 0.000 0.253 290 A C 0.429 177.954 177.584 -0.097 0.000 1.074 290 A CA 0.655 52.599 52.037 -0.155 0.000 0.760 290 A CB -0.325 18.586 19.000 -0.148 0.000 1.005 290 A HN 0.296 nan 8.150 nan 0.000 0.506 291 V N 0.562 120.434 119.914 -0.070 0.000 3.845 291 V HA 0.638 4.760 4.120 0.004 0.000 0.603 291 V C 0.267 176.369 176.094 0.014 0.000 1.846 291 V CA 0.011 62.301 62.300 -0.017 0.000 2.544 291 V CB -0.776 31.039 31.823 -0.012 0.000 1.176 291 V HN 2.310 nan 8.190 nan 0.000 0.653 292 G N 0.913 109.728 108.800 0.024 0.000 2.335 292 G HA2 0.298 4.260 3.960 0.004 0.000 0.592 292 G HA3 0.298 4.260 3.960 0.004 0.000 0.592 292 G C -1.304 173.625 174.900 0.048 0.000 1.442 292 G CA -1.037 44.096 45.100 0.054 0.000 0.976 292 G HN 0.404 nan 8.290 nan 0.000 0.652 293 R N 0.442 120.987 120.500 0.074 0.000 2.744 293 R HA 0.638 4.981 4.340 0.004 0.000 0.279 293 R C -1.776 174.571 176.300 0.079 0.000 0.977 293 R CA -1.032 55.113 56.100 0.075 0.000 0.906 293 R CB 2.453 32.805 30.300 0.088 0.000 1.197 293 R HN 0.491 nan 8.270 nan 0.000 0.463 294 D N 0.900 121.350 120.400 0.082 0.000 2.391 294 D HA 0.192 4.834 4.640 0.004 0.000 0.245 294 D C -0.518 175.831 176.300 0.081 0.000 1.069 294 D CA -0.359 53.689 54.000 0.079 0.000 0.831 294 D CB 2.105 42.954 40.800 0.082 0.000 1.204 294 D HN 0.265 nan 8.370 nan 0.000 0.503 295 S N 0.989 116.731 115.700 0.070 0.000 2.544 295 S HA -0.006 4.466 4.470 0.004 0.000 0.290 295 S C 0.499 175.143 174.600 0.073 0.000 1.276 295 S CA -0.283 57.957 58.200 0.067 0.000 1.075 295 S CB 0.037 63.268 63.200 0.052 0.000 0.849 295 S HN 0.463 nan 8.310 nan 0.000 0.494 296 C N 4.462 123.810 119.300 0.080 0.000 2.645 296 C HA 0.215 4.677 4.460 0.004 0.000 0.451 296 C C 1.831 176.867 174.990 0.077 0.000 1.018 296 C CA -0.548 58.524 59.018 0.091 0.000 1.180 296 C CB -2.389 25.408 27.740 0.095 0.000 1.563 296 C HN 1.000 nan 8.230 nan 0.000 0.551 297 T N -2.453 112.144 114.554 0.071 0.000 3.058 297 T HA 0.092 4.445 4.350 0.004 0.000 0.278 297 T C 1.682 176.420 174.700 0.064 0.000 0.974 297 T CA -0.292 61.846 62.100 0.062 0.000 0.893 297 T CB 0.071 68.965 68.868 0.044 0.000 1.138 297 T HN 0.469 nan 8.240 nan 0.000 0.529 298 R N 2.401 122.943 120.500 0.070 0.000 2.075 298 R HA 0.055 4.397 4.340 0.004 0.000 0.226 298 R C 1.839 178.179 176.300 0.067 0.000 1.114 298 R CA 1.669 57.805 56.100 0.059 0.000 0.972 298 R CB -0.996 29.336 30.300 0.053 0.000 0.869 298 R HN 0.593 nan 8.270 nan 0.000 0.437 299 T N -1.070 113.542 114.554 0.097 0.000 3.258 299 T HA 0.322 4.675 4.350 0.004 0.000 0.259 299 T C 1.127 175.918 174.700 0.151 0.000 0.963 299 T CA -0.480 61.674 62.100 0.089 0.000 0.919 299 T CB -0.732 68.163 68.868 0.044 0.000 1.110 299 T HN 0.287 nan 8.240 nan 0.000 0.550 300 I N -3.051 117.606 120.570 0.146 0.000 3.936 300 I HA 0.661 4.833 4.170 0.004 0.000 0.330 300 I C 1.230 177.429 176.117 0.137 0.000 1.509 300 I CA -0.761 60.633 61.300 0.158 0.000 1.126 300 I CB -0.191 37.866 38.000 0.094 0.000 1.115 300 I HN 0.274 nan 8.210 nan 0.000 0.424 301 G N 1.887 110.758 108.800 0.119 0.000 2.160 301 G HA2 -0.247 3.715 3.960 0.004 0.000 0.244 301 G HA3 -0.247 3.715 3.960 0.004 0.000 0.244 301 G C 0.604 175.581 174.900 0.128 0.000 1.022 301 G CA 0.453 45.627 45.100 0.123 0.000 0.741 301 G HN 0.444 nan 8.290 nan 0.000 0.508 302 L N -0.259 121.019 121.223 0.091 0.000 2.042 302 L HA -0.153 4.190 4.340 0.004 0.000 0.210 302 L C 2.952 179.793 176.870 -0.048 0.000 1.076 302 L CA 2.299 57.143 54.840 0.007 0.000 0.749 302 L CB -0.463 41.592 42.059 -0.007 0.000 0.893 302 L HN 0.495 nan 8.230 nan 0.000 0.432 303 E N -0.254 119.936 120.200 -0.017 0.000 2.130 303 E HA -0.232 4.121 4.350 0.004 0.000 0.196 303 E C 1.820 178.398 176.600 -0.035 0.000 0.998 303 E CA 1.826 58.210 56.400 -0.027 0.000 0.806 303 E CB -1.465 28.229 29.700 -0.009 0.000 0.738 303 E HN 0.565 nan 8.360 nan 0.000 0.459 304 T N -2.235 112.308 114.554 -0.018 0.000 3.163 304 T HA 0.098 4.450 4.350 0.004 0.000 0.260 304 T C 1.355 176.025 174.700 -0.050 0.000 1.156 304 T CA 0.706 62.801 62.100 -0.008 0.000 1.072 304 T CB -0.094 68.796 68.868 0.036 0.000 0.937 304 T HN 0.101 nan 8.240 nan 0.000 0.528 305 V N -0.797 119.034 119.914 -0.138 0.000 3.497 305 V HA 0.551 4.674 4.120 0.004 0.000 0.272 305 V C 1.767 177.744 176.094 -0.196 0.000 1.474 305 V CA -0.024 62.145 62.300 -0.219 0.000 1.025 305 V CB 0.150 31.655 31.823 -0.531 0.000 0.820 305 V HN 0.610 nan 8.190 nan 0.000 0.437 306 G N 1.236 109.940 108.800 -0.161 0.000 2.130 306 G HA2 -0.192 3.770 3.960 0.004 0.000 0.216 306 G HA3 -0.192 3.770 3.960 0.004 0.000 0.216 306 G C 0.055 174.863 174.900 -0.155 0.000 0.999 306 G CA 0.033 45.057 45.100 -0.126 0.000 0.686 306 G HN 0.402 nan 8.290 nan 0.000 0.515 307 V N 2.074 121.870 119.914 -0.197 0.000 2.508 307 V HA 0.340 4.463 4.120 0.004 0.000 0.281 307 V C 0.816 176.841 176.094 -0.115 0.000 1.041 307 V CA -0.341 61.847 62.300 -0.187 0.000 1.016 307 V CB 1.258 32.947 31.823 -0.225 0.000 0.984 307 V HN 0.280 nan 8.190 nan 0.000 0.478 308 K N 5.570 125.912 120.400 -0.097 0.000 2.098 308 K HA 0.660 4.983 4.320 0.004 0.000 0.257 308 K C -0.334 176.233 176.600 -0.054 0.000 0.999 308 K CA -0.398 55.850 56.287 -0.065 0.000 0.924 308 K CB 2.302 34.768 32.500 -0.057 0.000 1.028 308 K HN 0.730 nan 8.250 nan 0.000 0.466 309 I N -0.167 120.381 120.570 -0.037 0.000 2.842 309 I HA 0.184 4.357 4.170 0.004 0.000 0.297 309 I C -1.313 174.793 176.117 -0.017 0.000 1.380 309 I CA -0.791 60.494 61.300 -0.026 0.000 1.018 309 I CB 2.439 40.428 38.000 -0.018 0.000 1.311 309 I HN 0.427 nan 8.210 nan 0.000 0.439 310 N N 5.204 123.896 118.700 -0.013 0.000 2.429 310 N HA 0.005 4.748 4.740 0.004 0.000 0.271 310 N C 0.769 176.279 175.510 -0.001 0.000 1.272 310 N CA 0.415 53.460 53.050 -0.008 0.000 0.921 310 N CB 0.596 39.079 38.487 -0.007 0.000 1.128 310 N HN 0.529 nan 8.380 nan 0.000 0.481 311 E N 3.069 123.268 120.200 -0.001 0.000 2.265 311 E HA -0.205 4.148 4.350 0.004 0.000 0.196 311 E C 1.085 177.691 176.600 0.010 0.000 0.996 311 E CA 0.925 57.327 56.400 0.004 0.000 0.832 311 E CB 0.199 29.900 29.700 0.002 0.000 0.756 311 E HN 0.684 nan 8.360 nan 0.000 0.491 312 K N 0.672 121.078 120.400 0.009 0.000 2.020 312 K HA -0.040 4.283 4.320 0.004 0.000 0.206 312 K C 0.788 177.399 176.600 0.019 0.000 1.038 312 K CA 1.247 57.542 56.287 0.014 0.000 0.947 312 K CB 0.077 32.585 32.500 0.012 0.000 0.744 312 K HN 0.070 nan 8.250 nan 0.000 0.442 313 T N -1.216 113.348 114.554 0.017 0.000 2.875 313 T HA 0.288 4.640 4.350 0.004 0.000 0.307 313 T C 0.952 175.664 174.700 0.021 0.000 1.013 313 T CA -0.453 61.661 62.100 0.022 0.000 0.970 313 T CB 1.094 69.972 68.868 0.017 0.000 0.986 313 T HN 0.332 nan 8.240 nan 0.000 0.536 314 G N 3.542 112.359 108.800 0.028 0.000 2.724 314 G HA2 -0.127 3.836 3.960 0.004 0.000 0.213 314 G HA3 -0.127 3.836 3.960 0.004 0.000 0.213 314 G C 0.698 175.610 174.900 0.020 0.000 1.137 314 G CA 0.032 45.147 45.100 0.026 0.000 0.745 314 G HN 0.680 nan 8.290 nan 0.000 0.567 315 K N 0.027 120.436 120.400 0.014 0.000 2.319 315 K HA 0.194 4.516 4.320 0.004 0.000 0.265 315 K C 0.235 176.832 176.600 -0.005 0.000 1.000 315 K CA -0.051 56.240 56.287 0.006 0.000 0.943 315 K CB 1.216 33.715 32.500 -0.001 0.000 0.950 315 K HN 0.079 nan 8.250 nan 0.000 0.485 316 I N 4.297 124.861 120.570 -0.009 0.000 2.315 316 I HA 0.163 4.336 4.170 0.004 0.000 0.291 316 I C -2.137 173.960 176.117 -0.034 0.000 1.006 316 I CA -2.460 58.828 61.300 -0.021 0.000 1.265 316 I CB 1.358 39.348 38.000 -0.017 0.000 1.387 316 I HN 0.182 nan 8.210 nan 0.000 0.475 317 P HA 0.251 nan 4.420 nan 0.000 0.271 317 P C -0.926 176.344 177.300 -0.049 0.000 1.218 317 P CA -0.091 62.981 63.100 -0.046 0.000 0.780 317 P CB 0.985 32.659 31.700 -0.043 0.000 0.901 318 V N -0.588 119.297 119.914 -0.049 0.000 3.216 318 V HA 0.517 4.640 4.120 0.004 0.000 0.302 318 V C 0.421 176.500 176.094 -0.025 0.000 1.286 318 V CA -0.907 61.371 62.300 -0.035 0.000 1.048 318 V CB 1.430 33.242 31.823 -0.019 0.000 1.081 318 V HN 0.656 nan 8.190 nan 0.000 0.442 319 T N -1.449 113.106 114.554 0.001 0.000 2.729 319 T HA 0.175 4.528 4.350 0.004 0.000 0.298 319 T C 0.651 175.367 174.700 0.027 0.000 1.013 319 T CA 0.564 62.672 62.100 0.014 0.000 0.957 319 T CB 0.438 69.326 68.868 0.034 0.000 1.130 319 T HN 0.954 nan 8.240 nan 0.000 0.526 320 D N -1.386 119.036 120.400 0.037 0.000 2.336 320 D HA 0.022 4.665 4.640 0.004 0.000 0.229 320 D C 0.924 177.274 176.300 0.084 0.000 1.061 320 D CA 0.285 54.321 54.000 0.061 0.000 0.875 320 D CB -0.217 40.615 40.800 0.054 0.000 0.904 320 D HN 0.813 nan 8.370 nan 0.000 0.525 321 E N -0.399 119.850 120.200 0.081 0.000 2.630 321 E HA 0.077 4.429 4.350 0.004 0.000 0.218 321 E C -0.419 176.251 176.600 0.116 0.000 0.977 321 E CA -0.134 56.312 56.400 0.077 0.000 1.038 321 E CB 0.479 30.215 29.700 0.059 0.000 1.051 321 E HN -0.035 nan 8.360 nan 0.000 0.487 322 E N 0.183 120.468 120.200 0.142 0.000 3.898 322 E HA -0.219 4.134 4.350 0.004 0.000 0.328 322 E C -0.163 176.635 176.600 0.330 0.000 0.770 322 E CA 0.638 57.147 56.400 0.181 0.000 1.267 322 E CB -1.171 28.623 29.700 0.155 0.000 1.646 322 E HN 0.281 nan 8.360 nan 0.000 0.420 323 Q N 1.027 121.003 119.800 0.292 0.000 2.288 323 Q HA 0.362 4.705 4.340 0.004 0.000 0.254 323 Q C 0.603 176.529 176.000 -0.123 0.000 0.932 323 Q CA 0.409 56.231 55.803 0.031 0.000 0.902 323 Q CB 0.805 29.587 28.738 0.072 0.000 1.203 323 Q HN 0.285 nan 8.270 nan 0.000 0.415 324 T N 0.330 114.722 114.554 -0.270 0.000 2.833 324 T HA 0.106 4.459 4.350 0.004 0.000 0.312 324 T C 0.875 175.460 174.700 -0.192 0.000 1.085 324 T CA 0.214 62.197 62.100 -0.195 0.000 0.955 324 T CB 0.177 68.910 68.868 -0.224 0.000 1.353 324 T HN 0.832 nan 8.240 nan 0.000 0.544 325 N N -0.957 117.647 118.700 -0.161 0.000 2.457 325 N HA 0.043 4.785 4.740 0.004 0.000 0.180 325 N C -0.030 175.387 175.510 -0.156 0.000 1.050 325 N CA 0.002 52.975 53.050 -0.128 0.000 0.906 325 N CB -0.162 38.265 38.487 -0.100 0.000 0.968 325 N HN 0.318 nan 8.380 nan 0.000 0.445 326 V N 1.853 121.625 119.914 -0.237 0.000 2.348 326 V HA 0.210 4.333 4.120 0.004 0.000 0.270 326 V C -1.398 174.492 176.094 -0.340 0.000 1.037 326 V CA -1.541 60.591 62.300 -0.279 0.000 0.872 326 V CB 1.398 32.973 31.823 -0.413 0.000 1.002 326 V HN -0.006 nan 8.190 nan 0.000 0.464 327 P HA -0.196 nan 4.420 nan 0.000 0.217 327 P C 1.056 178.260 177.300 -0.160 0.000 1.148 327 P CA 1.610 64.633 63.100 -0.128 0.000 0.834 327 P CB -0.038 31.683 31.700 0.036 0.000 0.783 328 Y N -2.325 117.863 120.300 -0.186 0.000 2.461 328 Y HA 0.433 4.986 4.550 0.004 0.000 0.277 328 Y C 0.340 176.145 175.900 -0.158 0.000 1.182 328 Y CA -0.851 57.185 58.100 -0.106 0.000 1.276 328 Y CB -0.651 37.794 38.460 -0.024 0.000 1.087 328 Y HN -0.181 nan 8.280 nan 0.000 0.519 329 I N 1.407 121.569 120.570 -0.681 0.000 2.418 329 I HA 0.329 4.502 4.170 0.004 0.000 0.287 329 I C -1.317 174.478 176.117 -0.537 0.000 1.008 329 I CA -0.959 60.046 61.300 -0.492 0.000 1.104 329 I CB 1.239 38.877 38.000 -0.603 0.000 1.264 329 I HN -0.071 nan 8.210 nan 0.000 0.438 330 Y N 4.027 124.320 120.300 -0.011 0.000 2.587 330 Y HA 0.836 5.388 4.550 0.004 0.000 0.337 330 Y C 0.319 176.230 175.900 0.019 0.000 1.065 330 Y CA -0.733 57.363 58.100 -0.006 0.000 1.126 330 Y CB 2.003 40.461 38.460 -0.002 0.000 1.279 330 Y HN 0.594 nan 8.280 nan 0.000 0.489 331 A N 1.188 124.113 122.820 0.176 0.000 2.532 331 A HA 0.899 5.221 4.320 0.004 0.000 0.290 331 A C -2.004 175.642 177.584 0.103 0.000 1.143 331 A CA -0.704 51.399 52.037 0.110 0.000 0.728 331 A CB 1.781 20.815 19.000 0.058 0.000 1.317 331 A HN 0.563 nan 8.150 nan 0.000 0.414 332 I N -1.088 119.530 120.570 0.081 0.000 2.842 332 I HA 0.631 4.803 4.170 0.004 0.000 0.297 332 I C 0.459 176.619 176.117 0.072 0.000 1.380 332 I CA 1.291 62.640 61.300 0.082 0.000 1.018 332 I CB 1.924 39.966 38.000 0.070 0.000 1.311 332 I HN 2.143 nan 8.210 nan 0.000 0.439 333 G N 5.021 113.875 108.800 0.089 0.000 2.542 333 G HA2 -0.241 3.722 3.960 0.004 0.000 0.235 333 G HA3 -0.241 3.722 3.960 0.004 0.000 0.235 333 G C 0.330 175.271 174.900 0.069 0.000 1.286 333 G CA 0.405 45.553 45.100 0.081 0.000 0.904 333 G HN 0.617 nan 8.290 nan 0.000 0.577 334 D N -0.221 120.218 120.400 0.065 0.000 2.133 334 D HA -0.082 4.561 4.640 0.004 0.000 0.195 334 D C 2.595 178.922 176.300 0.045 0.000 0.997 334 D CA 1.513 55.550 54.000 0.062 0.000 0.840 334 D CB -0.154 40.691 40.800 0.074 0.000 0.947 334 D HN 0.345 nan 8.370 nan 0.000 0.452 335 I N 0.460 121.056 120.570 0.044 0.000 2.300 335 I HA -0.188 3.985 4.170 0.004 0.000 0.252 335 I C 0.542 176.667 176.117 0.014 0.000 1.119 335 I CA 0.344 61.664 61.300 0.034 0.000 1.384 335 I CB -0.762 37.260 38.000 0.037 0.000 1.062 335 I HN 0.044 nan 8.210 nan 0.000 0.426 336 L N 1.257 122.483 121.223 0.005 0.000 2.540 336 L HA -0.081 4.261 4.340 0.004 0.000 0.276 336 L C 1.013 177.851 176.870 -0.053 0.000 1.212 336 L CA 0.511 55.331 54.840 -0.034 0.000 0.893 336 L CB -0.733 41.285 42.059 -0.067 0.000 1.138 336 L HN 0.272 nan 8.230 nan 0.000 0.491 337 E N 2.559 122.723 120.200 -0.060 0.000 2.290 337 E HA 0.336 4.689 4.350 0.004 0.000 0.277 337 E C 1.041 177.587 176.600 -0.089 0.000 1.035 337 E CA 0.532 56.898 56.400 -0.057 0.000 0.873 337 E CB 0.316 29.988 29.700 -0.047 0.000 1.029 337 E HN 0.809 nan 8.360 nan 0.000 0.419 338 G N 3.933 112.687 108.800 -0.078 0.000 2.184 338 G HA2 -0.248 3.715 3.960 0.004 0.000 0.264 338 G HA3 -0.248 3.715 3.960 0.004 0.000 0.264 338 G C 0.283 175.096 174.900 -0.145 0.000 0.975 338 G CA 0.642 45.684 45.100 -0.096 0.000 0.642 338 G HN 0.497 nan 8.290 nan 0.000 0.536 339 K N -0.900 119.398 120.400 -0.171 0.000 2.727 339 K HA 0.789 5.112 4.320 0.004 0.000 0.299 339 K C 0.436 176.997 176.600 -0.066 0.000 0.996 339 K CA -0.594 55.558 56.287 -0.225 0.000 1.212 339 K CB 0.063 32.327 32.500 -0.394 0.000 1.529 339 K HN 0.106 nan 8.250 nan 0.000 0.646 340 L N 1.561 122.799 121.223 0.026 0.000 2.342 340 L HA 0.323 4.666 4.340 0.004 0.000 0.271 340 L C 0.103 177.003 176.870 0.050 0.000 1.008 340 L CA -0.211 54.648 54.840 0.031 0.000 0.818 340 L CB 1.183 43.274 42.059 0.053 0.000 1.296 340 L HN 0.531 nan 8.230 nan 0.000 0.427 341 E N 3.871 124.092 120.200 0.035 0.000 2.028 341 E HA 0.414 4.767 4.350 0.004 0.000 0.275 341 E C -0.934 175.716 176.600 0.084 0.000 1.171 341 E CA -0.070 56.373 56.400 0.072 0.000 1.186 341 E CB 0.406 30.167 29.700 0.101 0.000 1.256 341 E HN 0.346 nan 8.360 nan 0.000 0.474 342 L N 0.584 121.854 121.223 0.078 0.000 2.431 342 L HA 0.215 4.557 4.340 0.004 0.000 0.266 342 L C 1.332 178.245 176.870 0.071 0.000 0.978 342 L CA -0.490 54.397 54.840 0.078 0.000 0.822 342 L CB 2.132 44.219 42.059 0.048 0.000 1.310 342 L HN 0.174 nan 8.230 nan 0.000 0.409 343 T N 1.992 116.591 114.554 0.074 0.000 2.544 343 T HA -0.137 4.216 4.350 0.004 0.000 0.264 343 T C -1.090 173.632 174.700 0.037 0.000 1.096 343 T CA 2.018 64.150 62.100 0.053 0.000 1.181 343 T CB -0.643 68.256 68.868 0.051 0.000 0.864 343 T HN 0.491 nan 8.240 nan 0.000 0.415 344 P HA -0.049 nan 4.420 nan 0.000 0.216 344 P C 1.673 178.968 177.300 -0.008 0.000 1.150 344 P CA 0.634 63.739 63.100 0.010 0.000 0.843 344 P CB -0.259 31.445 31.700 0.007 0.000 0.787 345 V N 0.365 120.280 119.914 0.001 0.000 2.233 345 V HA -0.313 3.809 4.120 0.004 0.000 0.247 345 V C 2.513 178.613 176.094 0.010 0.000 1.050 345 V CA 2.503 64.796 62.300 -0.012 0.000 1.010 345 V CB -1.726 30.133 31.823 0.060 0.000 0.637 345 V HN 0.119 nan 8.190 nan 0.000 0.444 346 A N 0.460 123.309 122.820 0.048 0.000 1.892 346 A HA -0.253 4.069 4.320 0.004 0.000 0.218 346 A C 2.223 179.820 177.584 0.021 0.000 1.188 346 A CA 2.380 54.447 52.037 0.051 0.000 0.631 346 A CB -0.732 18.298 19.000 0.050 0.000 0.822 346 A HN 0.702 nan 8.150 nan 0.000 0.447 347 I N -2.411 118.165 120.570 0.011 0.000 2.286 347 I HA -0.272 3.900 4.170 0.004 0.000 0.248 347 I C 2.197 178.306 176.117 -0.013 0.000 1.115 347 I CA 2.131 63.433 61.300 0.003 0.000 1.392 347 I CB -0.635 37.371 38.000 0.010 0.000 1.065 347 I HN 0.359 nan 8.210 nan 0.000 0.418 348 Q N 1.395 121.174 119.800 -0.034 0.000 2.050 348 Q HA -0.170 4.173 4.340 0.004 0.000 0.202 348 Q C 2.544 178.503 176.000 -0.068 0.000 0.980 348 Q CA 2.072 57.837 55.803 -0.063 0.000 0.840 348 Q CB -0.268 28.407 28.738 -0.105 0.000 0.898 348 Q HN 0.745 nan 8.270 nan 0.000 0.424 349 A N 1.028 123.808 122.820 -0.066 0.000 1.859 349 A HA -0.206 4.117 4.320 0.004 0.000 0.217 349 A C 2.310 179.881 177.584 -0.022 0.000 1.198 349 A CA 2.137 54.156 52.037 -0.031 0.000 0.629 349 A CB -1.477 17.560 19.000 0.062 0.000 0.830 349 A HN 0.516 nan 8.150 nan 0.000 0.446 350 G N -1.041 107.755 108.800 -0.006 0.000 2.476 350 G HA2 -0.301 3.661 3.960 0.004 0.000 0.218 350 G HA3 -0.301 3.661 3.960 0.004 0.000 0.218 350 G C 1.770 176.655 174.900 -0.025 0.000 1.164 350 G CA 1.187 46.280 45.100 -0.011 0.000 0.768 350 G HN 0.552 nan 8.290 nan 0.000 0.560 351 R N -0.196 120.293 120.500 -0.018 0.000 2.082 351 R HA 0.018 4.360 4.340 0.004 0.000 0.234 351 R C 2.714 178.996 176.300 -0.029 0.000 1.136 351 R CA 1.410 57.505 56.100 -0.009 0.000 0.935 351 R CB -0.483 29.814 30.300 -0.006 0.000 0.842 351 R HN 0.377 nan 8.270 nan 0.000 0.430 352 L N 0.988 122.181 121.223 -0.049 0.000 2.131 352 L HA -0.212 4.130 4.340 0.004 0.000 0.210 352 L C 2.554 179.360 176.870 -0.108 0.000 1.092 352 L CA 0.589 55.389 54.840 -0.067 0.000 0.759 352 L CB -0.586 41.429 42.059 -0.074 0.000 0.903 352 L HN 0.303 nan 8.230 nan 0.000 0.435 353 L N 0.693 121.843 121.223 -0.122 0.000 1.989 353 L HA -0.179 4.163 4.340 0.004 0.000 0.211 353 L C 2.705 179.400 176.870 -0.292 0.000 1.071 353 L CA 2.209 56.924 54.840 -0.208 0.000 0.749 353 L CB -0.868 41.072 42.059 -0.198 0.000 0.890 353 L HN 0.131 nan 8.230 nan 0.000 0.431 354 A N -1.220 121.466 122.820 -0.222 0.000 1.908 354 A HA -0.263 4.060 4.320 0.004 0.000 0.218 354 A C 2.209 179.589 177.584 -0.340 0.000 1.181 354 A CA 1.760 53.633 52.037 -0.274 0.000 0.627 354 A CB -0.723 18.253 19.000 -0.041 0.000 0.818 354 A HN 0.628 nan 8.150 nan 0.000 0.445 355 Q N -0.341 119.348 119.800 -0.184 0.000 2.077 355 Q HA -0.204 4.139 4.340 0.004 0.000 0.206 355 Q C 2.256 178.111 176.000 -0.243 0.000 0.989 355 Q CA 1.921 57.630 55.803 -0.156 0.000 0.853 355 Q CB -0.395 28.319 28.738 -0.041 0.000 0.907 355 Q HN 0.728 nan 8.270 nan 0.000 0.418 356 R N -0.307 120.050 120.500 -0.239 0.000 2.070 356 R HA -0.085 4.257 4.340 0.004 0.000 0.232 356 R C 2.567 178.672 176.300 -0.325 0.000 1.138 356 R CA 1.222 57.183 56.100 -0.232 0.000 0.936 356 R CB -0.468 29.704 30.300 -0.214 0.000 0.839 356 R HN 0.189 nan 8.270 nan 0.000 0.429 357 L N -0.705 120.218 121.223 -0.501 0.000 1.941 357 L HA -0.264 4.079 4.340 0.004 0.000 0.224 357 L C 2.133 178.652 176.870 -0.586 0.000 1.081 357 L CA 1.591 56.017 54.840 -0.690 0.000 0.784 357 L CB -0.549 40.741 42.059 -1.281 0.000 0.894 357 L HN 0.296 nan 8.230 nan 0.000 0.436 358 Y N -1.274 118.764 120.300 -0.436 0.000 2.462 358 Y HA 0.191 4.743 4.550 0.004 0.000 0.261 358 Y C 2.006 177.342 175.900 -0.939 0.000 1.146 358 Y CA 0.155 57.893 58.100 -0.604 0.000 1.283 358 Y CB -0.502 37.561 38.460 -0.661 0.000 1.090 358 Y HN 0.080 nan 8.280 nan 0.000 0.526 359 G N -1.016 107.330 108.800 -0.755 0.000 3.324 359 G HA2 0.341 4.304 3.960 0.004 0.000 0.251 359 G HA3 0.341 4.304 3.960 0.004 0.000 0.251 359 G C 1.100 175.966 174.900 -0.057 0.000 1.072 359 G CA -0.025 44.843 45.100 -0.387 0.000 0.787 359 G HN 0.403 nan 8.290 nan 0.000 0.537 360 G N 0.297 109.035 108.800 -0.104 0.000 2.371 360 G HA2 -0.103 3.859 3.960 0.004 0.000 0.299 360 G HA3 -0.103 3.859 3.960 0.004 0.000 0.299 360 G C 0.287 175.171 174.900 -0.026 0.000 1.014 360 G CA 0.804 45.879 45.100 -0.043 0.000 1.097 360 G HN 1.166 nan 8.290 nan 0.000 0.512 361 S N -1.417 114.252 115.700 -0.052 0.000 2.664 361 S HA 0.817 5.289 4.470 0.004 0.000 0.304 361 S C 1.217 175.790 174.600 -0.044 0.000 1.099 361 S CA 0.593 58.773 58.200 -0.033 0.000 1.003 361 S CB 1.684 64.868 63.200 -0.027 0.000 1.092 361 S HN 0.941 nan 8.310 nan 0.000 0.525 362 T N -0.053 114.482 114.554 -0.030 0.000 3.085 362 T HA 0.282 4.634 4.350 0.004 0.000 0.264 362 T C 0.011 174.694 174.700 -0.029 0.000 1.019 362 T CA -0.194 61.889 62.100 -0.029 0.000 0.910 362 T CB -0.264 68.593 68.868 -0.017 0.000 1.059 362 T HN 0.379 nan 8.240 nan 0.000 0.542 363 V N 3.169 123.063 119.914 -0.034 0.000 2.508 363 V HA 0.274 4.396 4.120 0.004 0.000 0.281 363 V C 0.365 176.433 176.094 -0.042 0.000 1.041 363 V CA -0.669 61.610 62.300 -0.035 0.000 1.016 363 V CB 0.221 32.022 31.823 -0.037 0.000 0.984 363 V HN 0.395 nan 8.190 nan 0.000 0.478 364 K N 3.175 123.555 120.400 -0.034 0.000 2.168 364 K HA 0.576 4.899 4.320 0.004 0.000 0.239 364 K C -0.380 176.183 176.600 -0.062 0.000 0.999 364 K CA -0.681 55.588 56.287 -0.029 0.000 0.900 364 K CB 1.527 34.032 32.500 0.007 0.000 1.111 364 K HN 0.660 nan 8.250 nan 0.000 0.452 365 C N 1.455 120.703 119.300 -0.088 0.000 2.435 365 C HA 0.168 4.630 4.460 0.004 0.000 0.375 365 C C -0.063 174.748 174.990 -0.298 0.000 1.281 365 C CA -0.321 58.546 59.018 -0.252 0.000 1.963 365 C CB -0.403 27.102 27.740 -0.392 0.000 2.490 365 C HN 0.709 nan 8.230 nan 0.000 0.557 366 D N 3.955 124.184 120.400 -0.286 0.000 2.411 366 D HA 0.200 4.843 4.640 0.004 0.000 0.225 366 D C -0.154 176.021 176.300 -0.209 0.000 1.156 366 D CA -0.141 53.763 54.000 -0.159 0.000 0.874 366 D CB 0.180 40.921 40.800 -0.099 0.000 1.034 366 D HN 0.706 nan 8.370 nan 0.000 0.502 367 Y N 1.315 121.603 120.300 -0.020 0.000 2.471 367 Y HA 0.146 4.698 4.550 0.004 0.000 0.321 367 Y C 0.253 176.137 175.900 -0.027 0.000 1.195 367 Y CA -0.322 57.764 58.100 -0.024 0.000 1.272 367 Y CB 0.176 38.624 38.460 -0.021 0.000 1.097 367 Y HN 0.154 nan 8.280 nan 0.000 0.507 368 D N 0.584 121.022 120.400 0.065 0.000 2.193 368 D HA 0.151 4.793 4.640 0.004 0.000 0.244 368 D C -0.081 176.220 176.300 0.001 0.000 1.064 368 D CA -0.203 53.820 54.000 0.038 0.000 0.845 368 D CB 0.698 41.520 40.800 0.035 0.000 1.148 368 D HN 0.077 nan 8.370 nan 0.000 0.464 369 N N 0.416 119.112 118.700 -0.005 0.000 2.738 369 N HA -0.157 4.586 4.740 0.004 0.000 0.249 369 N C -0.219 175.261 175.510 -0.050 0.000 1.047 369 N CA 0.434 53.466 53.050 -0.030 0.000 0.707 369 N CB -1.475 36.994 38.487 -0.031 0.000 0.937 369 N HN 0.338 nan 8.380 nan 0.000 0.545 370 V N -0.707 119.179 119.914 -0.046 0.000 2.465 370 V HA 0.654 4.777 4.120 0.004 0.000 0.279 370 V C -1.496 174.555 176.094 -0.071 0.000 1.045 370 V CA -1.386 60.880 62.300 -0.057 0.000 0.938 370 V CB 1.432 33.229 31.823 -0.043 0.000 0.986 370 V HN 0.060 nan 8.190 nan 0.000 0.467 371 P HA 0.347 nan 4.420 nan 0.000 0.272 371 P C -0.362 176.895 177.300 -0.071 0.000 1.230 371 P CA 0.192 63.243 63.100 -0.083 0.000 0.788 371 P CB 1.396 33.048 31.700 -0.079 0.000 0.949 372 T N -0.802 113.698 114.554 -0.090 0.000 2.853 372 T HA 0.569 4.922 4.350 0.004 0.000 0.311 372 T C -1.546 173.076 174.700 -0.130 0.000 1.307 372 T CA -0.404 61.653 62.100 -0.071 0.000 1.019 372 T CB 1.481 70.305 68.868 -0.072 0.000 1.264 372 T HN 0.699 nan 8.240 nan 0.000 0.497 373 T N 0.858 115.329 114.554 -0.137 0.000 2.952 373 T HA 0.628 4.980 4.350 0.004 0.000 0.305 373 T C -1.315 173.129 174.700 -0.427 0.000 1.064 373 T CA -0.535 61.355 62.100 -0.350 0.000 1.008 373 T CB 1.358 69.976 68.868 -0.417 0.000 1.078 373 T HN 0.522 nan 8.240 nan 0.000 0.459 374 V N 5.194 124.889 119.914 -0.364 0.000 2.383 374 V HA 0.391 4.514 4.120 0.004 0.000 0.275 374 V C -0.186 175.766 176.094 -0.236 0.000 1.036 374 V CA -0.605 61.614 62.300 -0.136 0.000 0.889 374 V CB 0.262 32.059 31.823 -0.044 0.000 0.985 374 V HN 0.901 nan 8.190 nan 0.000 0.459 375 F N 3.640 123.608 119.950 0.030 0.000 2.705 375 F HA 0.170 4.699 4.527 0.004 0.000 0.355 375 F C 1.598 177.217 175.800 -0.303 0.000 1.172 375 F CA -0.541 57.386 58.000 -0.122 0.000 1.332 375 F CB -0.853 38.052 39.000 -0.158 0.000 1.621 375 F HN 0.547 nan 8.300 nan 0.000 0.605 376 T N -2.413 112.136 114.554 -0.008 0.000 2.726 376 T HA 0.118 4.470 4.350 0.004 0.000 0.294 376 T C -1.467 173.261 174.700 0.047 0.000 1.013 376 T CA -1.500 60.607 62.100 0.013 0.000 0.996 376 T CB 0.762 69.660 68.868 0.050 0.000 1.016 376 T HN -0.022 nan 8.240 nan 0.000 0.529 377 P HA -0.038 nan 4.420 nan 0.000 0.216 377 P C 0.302 177.676 177.300 0.125 0.000 1.157 377 P CA 0.696 63.914 63.100 0.198 0.000 0.880 377 P CB -0.024 31.793 31.700 0.195 0.000 0.791 378 L N 0.402 121.570 121.223 -0.092 0.000 2.264 378 L HA 0.214 4.557 4.340 0.004 0.000 0.287 378 L C 0.074 176.951 176.870 0.011 0.000 1.039 378 L CA -0.649 54.098 54.840 -0.155 0.000 0.829 378 L CB -0.017 41.650 42.059 -0.654 0.000 1.211 378 L HN -0.091 nan 8.230 nan 0.000 0.427 379 E N 3.592 123.865 120.200 0.122 0.000 2.418 379 E HA 0.029 4.381 4.350 0.004 0.000 0.261 379 E C -1.369 175.318 176.600 0.144 0.000 1.070 379 E CA 0.112 56.571 56.400 0.099 0.000 0.931 379 E CB 0.716 30.485 29.700 0.114 0.000 0.954 379 E HN 0.495 nan 8.360 nan 0.000 0.439 380 Y N 0.393 120.649 120.300 -0.074 0.000 2.329 380 Y HA 0.473 5.025 4.550 0.004 0.000 0.328 380 Y C -0.616 175.263 175.900 -0.036 0.000 0.992 380 Y CA -1.046 57.041 58.100 -0.021 0.000 1.151 380 Y CB 1.312 39.758 38.460 -0.022 0.000 1.150 380 Y HN 0.495 nan 8.280 nan 0.000 0.450 381 G N 3.464 112.229 108.800 -0.058 0.000 2.420 381 G HA2 0.657 4.619 3.960 0.004 0.000 0.331 381 G HA3 0.657 4.619 3.960 0.004 0.000 0.331 381 G C -1.247 173.527 174.900 -0.209 0.000 1.168 381 G CA -0.405 44.577 45.100 -0.196 0.000 0.936 381 G HN 1.279 nan 8.290 nan 0.000 0.479 382 C N -0.918 118.234 119.300 -0.246 0.000 3.284 382 C HA 0.824 5.286 4.460 0.004 0.000 0.338 382 C C -0.768 174.130 174.990 -0.154 0.000 1.237 382 C CA -1.396 57.485 59.018 -0.229 0.000 1.276 382 C CB 0.992 28.453 27.740 -0.466 0.000 1.601 382 C HN 1.299 nan 8.230 nan 0.000 0.494 383 C N 2.965 122.199 119.300 -0.111 0.000 2.752 383 C HA 0.922 5.384 4.460 0.004 0.000 0.360 383 C C 0.611 175.567 174.990 -0.057 0.000 1.081 383 C CA 1.879 60.844 59.018 -0.089 0.000 1.272 383 C CB 0.720 28.402 27.740 -0.097 0.000 1.754 383 C HN 3.186 nan 8.230 nan 0.000 0.483 384 G N 4.396 113.165 108.800 -0.052 0.000 2.512 384 G HA2 -0.022 3.941 3.960 0.004 0.000 0.210 384 G HA3 -0.022 3.941 3.960 0.004 0.000 0.210 384 G C -0.994 173.929 174.900 0.038 0.000 1.295 384 G CA -0.323 44.777 45.100 0.001 0.000 0.934 384 G HN 1.180 nan 8.290 nan 0.000 0.554 385 L N 1.074 122.349 121.223 0.085 0.000 2.436 385 L HA 0.529 4.871 4.340 0.004 0.000 0.265 385 L C 1.426 178.437 176.870 0.234 0.000 1.168 385 L CA -0.098 54.812 54.840 0.117 0.000 0.815 385 L CB 1.243 43.356 42.059 0.091 0.000 1.109 385 L HN 0.902 nan 8.230 nan 0.000 0.462 386 S N -0.452 115.378 115.700 0.217 0.000 2.610 386 S HA 0.117 4.589 4.470 0.004 0.000 0.273 386 S C 0.779 175.430 174.600 0.084 0.000 1.274 386 S CA -0.658 57.692 58.200 0.249 0.000 1.023 386 S CB 1.751 65.091 63.200 0.234 0.000 0.962 386 S HN 0.763 nan 8.310 nan 0.000 0.523 387 E N 1.662 121.846 120.200 -0.027 0.000 2.068 387 E HA -0.328 4.025 4.350 0.004 0.000 0.207 387 E C 1.957 178.561 176.600 0.007 0.000 1.032 387 E CA 2.098 58.474 56.400 -0.041 0.000 0.839 387 E CB -0.319 29.332 29.700 -0.082 0.000 0.758 387 E HN 0.857 nan 8.360 nan 0.000 0.457 388 E N 0.706 120.919 120.200 0.021 0.000 2.077 388 E HA -0.268 4.084 4.350 0.004 0.000 0.193 388 E C 2.034 178.665 176.600 0.051 0.000 0.989 388 E CA 1.579 57.999 56.400 0.033 0.000 0.800 388 E CB -0.355 29.367 29.700 0.036 0.000 0.746 388 E HN 0.134 nan 8.360 nan 0.000 0.452 389 K N 0.946 121.386 120.400 0.067 0.000 2.362 389 K HA 0.041 4.364 4.320 0.004 0.000 0.200 389 K C 1.931 178.595 176.600 0.107 0.000 1.046 389 K CA 1.046 57.380 56.287 0.079 0.000 0.952 389 K CB -0.218 32.329 32.500 0.079 0.000 0.753 389 K HN 0.251 nan 8.250 nan 0.000 0.466 390 A N -0.004 122.872 122.820 0.094 0.000 1.898 390 A HA -0.045 4.277 4.320 0.004 0.000 0.214 390 A C 2.139 179.816 177.584 0.155 0.000 1.183 390 A CA 1.266 53.372 52.037 0.115 0.000 0.622 390 A CB -0.763 18.247 19.000 0.017 0.000 0.824 390 A HN 0.210 nan 8.150 nan 0.000 0.444 391 V N -1.001 118.967 119.914 0.090 0.000 2.515 391 V HA -0.211 3.911 4.120 0.004 0.000 0.250 391 V C 1.989 178.140 176.094 0.095 0.000 1.058 391 V CA 2.614 64.966 62.300 0.087 0.000 1.064 391 V CB -0.674 31.174 31.823 0.041 0.000 0.675 391 V HN 0.657 nan 8.190 nan 0.000 0.461 392 E N 0.605 120.856 120.200 0.084 0.000 2.051 392 E HA -0.295 4.057 4.350 0.004 0.000 0.192 392 E C 2.324 178.961 176.600 0.062 0.000 0.991 392 E CA 1.868 58.304 56.400 0.060 0.000 0.799 392 E CB -0.149 29.582 29.700 0.052 0.000 0.748 392 E HN 0.733 nan 8.360 nan 0.000 0.449 393 K N -0.977 119.495 120.400 0.120 0.000 2.116 393 K HA -0.065 4.258 4.320 0.004 0.000 0.203 393 K C 1.346 177.904 176.600 -0.070 0.000 1.052 393 K CA 0.932 57.249 56.287 0.051 0.000 0.952 393 K CB 0.085 32.681 32.500 0.159 0.000 0.729 393 K HN 0.081 nan 8.250 nan 0.000 0.446 394 F N 0.088 120.041 119.950 0.006 0.000 2.678 394 F HA 0.318 4.848 4.527 0.005 0.000 0.305 394 F C 0.360 176.161 175.800 0.001 0.000 1.090 394 F CA 0.298 58.301 58.000 0.005 0.000 1.272 394 F CB 1.270 40.275 39.000 0.008 0.000 1.060 394 F HN 0.117 nan 8.300 nan 0.000 0.576 395 G N 1.567 110.451 108.800 0.140 0.000 3.402 395 G HA2 -0.208 3.755 3.960 0.004 0.000 0.686 395 G HA3 -0.208 3.755 3.960 0.004 0.000 0.686 395 G C 0.657 175.600 174.900 0.071 0.000 0.983 395 G CA -0.034 45.113 45.100 0.078 0.000 0.821 395 G HN 0.145 nan 8.290 nan 0.000 0.500 396 E N 1.387 121.612 120.200 0.043 0.000 2.149 396 E HA -0.289 4.064 4.350 0.004 0.000 0.215 396 E C 2.295 178.903 176.600 0.014 0.000 1.055 396 E CA 2.309 58.721 56.400 0.020 0.000 0.870 396 E CB -0.047 29.659 29.700 0.009 0.000 0.764 396 E HN 0.772 nan 8.360 nan 0.000 0.463 397 E N 0.356 120.567 120.200 0.018 0.000 2.169 397 E HA -0.205 4.147 4.350 0.004 0.000 0.202 397 E C 1.444 178.054 176.600 0.017 0.000 1.016 397 E CA 1.168 57.576 56.400 0.013 0.000 0.817 397 E CB -0.583 29.128 29.700 0.019 0.000 0.736 397 E HN 0.416 nan 8.360 nan 0.000 0.462 398 N N 0.164 118.888 118.700 0.040 0.000 2.230 398 N HA 0.113 4.856 4.740 0.004 0.000 0.202 398 N C 0.114 175.638 175.510 0.023 0.000 1.119 398 N CA 0.061 53.140 53.050 0.049 0.000 0.851 398 N CB 1.137 39.686 38.487 0.104 0.000 0.990 398 N HN 0.106 nan 8.380 nan 0.000 0.497 399 I N 1.210 121.777 120.570 -0.005 0.000 2.377 399 I HA 0.254 4.426 4.170 0.004 0.000 0.293 399 I C -0.050 176.010 176.117 -0.096 0.000 0.987 399 I CA -0.384 60.886 61.300 -0.049 0.000 1.185 399 I CB 1.920 39.894 38.000 -0.043 0.000 1.341 399 I HN -0.112 nan 8.210 nan 0.000 0.455 400 E N 4.967 125.087 120.200 -0.134 0.000 2.199 400 E HA 0.502 4.855 4.350 0.004 0.000 0.265 400 E C -1.590 174.810 176.600 -0.332 0.000 0.882 400 E CA -0.477 55.763 56.400 -0.267 0.000 0.759 400 E CB 1.938 31.460 29.700 -0.297 0.000 1.148 400 E HN 0.290 nan 8.360 nan 0.000 0.412 401 V N 5.709 125.377 119.914 -0.411 0.000 2.326 401 V HA 0.336 4.459 4.120 0.004 0.000 0.281 401 V C -1.027 174.816 176.094 -0.417 0.000 1.015 401 V CA -0.713 61.393 62.300 -0.323 0.000 0.823 401 V CB 0.234 31.893 31.823 -0.272 0.000 1.009 401 V HN 0.631 nan 8.190 nan 0.000 0.436 402 Y N 4.795 125.016 120.300 -0.132 0.000 2.308 402 Y HA 0.643 5.195 4.550 0.004 0.000 0.329 402 Y C 0.780 176.626 175.900 -0.090 0.000 1.111 402 Y CA -0.303 57.739 58.100 -0.098 0.000 1.179 402 Y CB 0.932 39.368 38.460 -0.041 0.000 1.201 402 Y HN 0.815 nan 8.280 nan 0.000 0.483 403 H N -1.003 118.075 119.070 0.014 0.000 2.990 403 H HA 0.827 5.386 4.556 0.005 0.000 0.336 403 H C -1.504 173.776 175.328 -0.081 0.000 1.306 403 H CA -1.217 54.733 56.048 -0.163 0.000 1.118 403 H CB 2.117 31.727 29.762 -0.253 0.000 1.856 403 H HN 0.548 nan 8.280 nan 0.000 0.538 404 S N 0.740 116.354 115.700 -0.144 0.000 2.586 404 S HA 0.396 4.868 4.470 0.004 0.000 0.277 404 S C -1.858 172.732 174.600 -0.018 0.000 1.131 404 S CA -0.799 57.368 58.200 -0.054 0.000 0.848 404 S CB 1.033 64.240 63.200 0.010 0.000 1.091 404 S HN 0.434 nan 8.310 nan 0.000 0.453 405 F N 2.687 122.687 119.950 0.083 0.000 2.368 405 F HA 0.791 5.321 4.527 0.005 0.000 0.315 405 F C 0.302 176.228 175.800 0.210 0.000 1.145 405 F CA -0.047 58.024 58.000 0.118 0.000 1.095 405 F CB 1.036 40.038 39.000 0.004 0.000 1.286 405 F HN 0.632 nan 8.300 nan 0.000 0.530 406 F N -0.907 119.177 119.950 0.224 0.000 2.693 406 F HA 0.497 5.027 4.527 0.005 0.000 0.309 406 F C -2.118 173.831 175.800 0.250 0.000 1.129 406 F CA -1.650 56.446 58.000 0.160 0.000 0.948 406 F CB 0.982 39.996 39.000 0.024 0.000 1.315 406 F HN 0.371 nan 8.300 nan 0.000 0.447 407 W N 4.613 125.969 121.300 0.093 0.000 2.453 407 W HA 0.646 5.306 4.660 -0.001 0.000 0.310 407 W C -2.909 173.596 176.519 -0.022 0.000 1.000 407 W CA -3.325 54.016 57.345 -0.006 0.000 1.367 407 W CB 1.202 30.707 29.460 0.076 0.000 1.269 407 W HN 0.353 nan 8.180 nan 0.000 0.418 408 P HA -0.124 nan 4.420 nan 0.000 0.260 408 P C 1.079 178.154 177.300 -0.375 0.000 1.185 408 P CA 0.147 63.016 63.100 -0.384 0.000 0.763 408 P CB 0.590 31.620 31.700 -1.116 0.000 0.776 409 L N 4.502 125.585 121.223 -0.234 0.000 2.081 409 L HA -0.234 4.109 4.340 0.004 0.000 0.212 409 L C 1.722 178.511 176.870 -0.134 0.000 1.080 409 L CA 2.033 56.740 54.840 -0.221 0.000 0.754 409 L CB -0.822 41.154 42.059 -0.139 0.000 0.893 409 L HN 0.264 nan 8.230 nan 0.000 0.433 410 E N -1.343 118.830 120.200 -0.044 0.000 2.331 410 E HA -0.217 4.136 4.350 0.004 0.000 0.199 410 E C 1.577 178.415 176.600 0.398 0.000 1.008 410 E CA 1.160 57.670 56.400 0.183 0.000 0.843 410 E CB -0.284 29.537 29.700 0.201 0.000 0.761 410 E HN 0.596 nan 8.360 nan 0.000 0.507 411 W N 0.081 121.340 121.300 -0.068 0.000 3.003 411 W HA 0.101 4.764 4.660 0.005 0.000 0.257 411 W C 2.026 178.465 176.519 -0.133 0.000 1.308 411 W CA 1.077 58.419 57.345 -0.003 0.000 1.529 411 W CB -1.047 28.514 29.460 0.167 0.000 1.115 411 W HN 0.147 nan 8.180 nan 0.000 0.659 412 T N -2.694 111.704 114.554 -0.260 0.000 2.770 412 T HA -0.148 4.204 4.350 0.004 0.000 0.263 412 T C 1.963 176.599 174.700 -0.106 0.000 1.039 412 T CA 1.374 63.234 62.100 -0.400 0.000 1.142 412 T CB -0.927 67.562 68.868 -0.632 0.000 0.868 412 T HN -0.120 nan 8.240 nan 0.000 0.435 413 V N 3.279 123.101 119.914 -0.154 0.000 2.324 413 V HA -0.080 4.043 4.120 0.004 0.000 0.250 413 V C -0.360 175.642 176.094 -0.153 0.000 1.060 413 V CA 2.051 64.187 62.300 -0.273 0.000 1.042 413 V CB -1.203 30.165 31.823 -0.758 0.000 0.650 413 V HN 0.470 nan 8.190 nan 0.000 0.450 414 P HA 0.046 nan 4.420 nan 0.000 0.233 414 P C 0.569 177.930 177.300 0.101 0.000 1.167 414 P CA 0.613 63.749 63.100 0.060 0.000 0.770 414 P CB 0.081 31.860 31.700 0.131 0.000 0.837 415 S N -0.627 115.171 115.700 0.163 0.000 3.791 415 S HA -0.158 4.315 4.470 0.004 0.000 0.393 415 S C 0.159 174.926 174.600 0.279 0.000 0.936 415 S CA 0.573 58.931 58.200 0.263 0.000 1.234 415 S CB -1.382 61.909 63.200 0.152 0.000 0.891 415 S HN 0.486 nan 8.310 nan 0.000 0.519 416 R N -0.511 120.221 120.500 0.386 0.000 2.817 416 R HA 0.691 5.033 4.340 0.004 0.000 0.268 416 R C -0.869 175.629 176.300 0.330 0.000 1.027 416 R CA -0.964 55.277 56.100 0.235 0.000 0.928 416 R CB 0.446 30.787 30.300 0.068 0.000 1.228 416 R HN -0.020 nan 8.270 nan 0.000 0.469 417 D N 0.438 120.925 120.400 0.145 0.000 2.692 417 D HA -0.235 4.407 4.640 0.004 0.000 0.233 417 D C -0.711 175.663 176.300 0.123 0.000 1.172 417 D CA 1.114 55.216 54.000 0.169 0.000 0.636 417 D CB -0.797 40.083 40.800 0.133 0.000 1.028 417 D HN 0.653 nan 8.370 nan 0.000 0.419 418 N N 1.108 119.596 118.700 -0.353 0.000 2.415 418 N HA -0.053 4.689 4.740 0.004 0.000 0.248 418 N C 0.392 175.615 175.510 -0.478 0.000 1.271 418 N CA -0.275 52.138 53.050 -1.061 0.000 0.913 418 N CB 0.418 37.981 38.487 -1.540 0.000 1.129 418 N HN 0.059 nan 8.380 nan 0.000 0.444 419 N N 1.170 119.627 118.700 -0.405 0.000 2.705 419 N HA -0.169 4.573 4.740 0.004 0.000 0.255 419 N C -0.364 175.122 175.510 -0.039 0.000 1.008 419 N CA 0.705 53.599 53.050 -0.261 0.000 0.742 419 N CB -0.247 37.918 38.487 -0.537 0.000 0.906 419 N HN 0.670 nan 8.380 nan 0.000 0.541 420 K N -1.108 119.389 120.400 0.162 0.000 2.485 420 K HA 0.164 4.486 4.320 0.004 0.000 0.200 420 K C 0.636 177.334 176.600 0.165 0.000 1.352 420 K CA 0.216 56.658 56.287 0.259 0.000 0.953 420 K CB 0.098 32.778 32.500 0.299 0.000 1.387 420 K HN 0.220 nan 8.250 nan 0.000 0.512 421 C N 2.892 122.129 119.300 -0.104 0.000 2.642 421 C HA 0.192 4.655 4.460 0.004 0.000 0.420 421 C C 0.327 174.977 174.990 -0.567 0.000 1.349 421 C CA -0.209 58.465 59.018 -0.573 0.000 1.821 421 C CB -1.476 25.327 27.740 -1.561 0.000 2.637 421 C HN 0.328 nan 8.230 nan 0.000 0.605 422 Y N 1.225 121.333 120.300 -0.320 0.000 2.545 422 Y HA 0.697 5.249 4.550 0.004 0.000 0.348 422 Y C -0.414 175.527 175.900 0.068 0.000 1.002 422 Y CA -0.901 57.029 58.100 -0.284 0.000 1.039 422 Y CB 1.415 39.560 38.460 -0.525 0.000 1.271 422 Y HN 0.822 nan 8.280 nan 0.000 0.467 423 A N 5.110 127.593 122.820 -0.562 0.000 2.437 423 A HA 0.699 5.022 4.320 0.004 0.000 0.293 423 A C -1.707 175.380 177.584 -0.829 0.000 1.038 423 A CA -0.769 50.871 52.037 -0.662 0.000 0.708 423 A CB 1.211 19.622 19.000 -0.982 0.000 1.251 423 A HN 0.797 nan 8.150 nan 0.000 0.409 424 K N 0.565 120.651 120.400 -0.523 0.000 2.482 424 K HA 0.869 5.191 4.320 0.004 0.000 0.257 424 K C -1.860 174.710 176.600 -0.051 0.000 0.969 424 K CA -0.740 55.354 56.287 -0.322 0.000 0.842 424 K CB 2.444 34.717 32.500 -0.378 0.000 1.359 424 K HN 0.498 nan 8.250 nan 0.000 0.441 425 V N 2.861 122.784 119.914 0.015 0.000 2.733 425 V HA 0.416 4.538 4.120 0.004 0.000 0.306 425 V C -0.818 175.321 176.094 0.076 0.000 1.084 425 V CA -0.784 61.575 62.300 0.097 0.000 0.905 425 V CB 1.680 33.596 31.823 0.154 0.000 1.010 425 V HN 0.821 nan 8.190 nan 0.000 0.424 426 I N 1.580 122.189 120.570 0.065 0.000 2.354 426 I HA 0.804 4.976 4.170 0.004 0.000 0.292 426 I C -0.389 175.731 176.117 0.004 0.000 0.989 426 I CA -0.076 61.228 61.300 0.006 0.000 1.188 426 I CB 1.344 39.330 38.000 -0.023 0.000 1.342 426 I HN 0.465 nan 8.210 nan 0.000 0.457 427 C N 4.257 123.555 119.300 -0.004 0.000 2.454 427 C HA 0.494 4.956 4.460 0.004 0.000 0.336 427 C C 0.246 175.179 174.990 -0.095 0.000 1.189 427 C CA -0.494 58.516 59.018 -0.014 0.000 1.877 427 C CB 1.216 29.017 27.740 0.103 0.000 2.348 427 C HN 0.850 nan 8.230 nan 0.000 0.508 428 N N 1.222 119.839 118.700 -0.139 0.000 2.527 428 N HA 0.310 5.052 4.740 0.004 0.000 0.236 428 N C 0.663 176.153 175.510 -0.034 0.000 0.999 428 N CA -0.313 52.634 53.050 -0.172 0.000 0.935 428 N CB 0.205 38.469 38.487 -0.370 0.000 1.132 428 N HN 0.639 nan 8.380 nan 0.000 0.511 429 L N 2.394 123.616 121.223 -0.001 0.000 2.129 429 L HA -0.178 4.165 4.340 0.004 0.000 0.212 429 L C 1.779 178.676 176.870 0.045 0.000 1.087 429 L CA 1.183 56.039 54.840 0.027 0.000 0.757 429 L CB -0.126 41.945 42.059 0.021 0.000 0.896 429 L HN 0.566 nan 8.230 nan 0.000 0.434 430 K N -0.880 119.563 120.400 0.071 0.000 2.525 430 K HA -0.066 4.257 4.320 0.004 0.000 0.192 430 K C 0.271 176.922 176.600 0.085 0.000 1.029 430 K CA 0.392 56.732 56.287 0.090 0.000 1.029 430 K CB 0.055 32.639 32.500 0.140 0.000 0.814 430 K HN 0.108 nan 8.250 nan 0.000 0.503 431 D N 0.612 121.052 120.400 0.066 0.000 2.772 431 D HA 0.072 4.715 4.640 0.004 0.000 0.326 431 D C -0.941 175.378 176.300 0.032 0.000 1.207 431 D CA -0.323 53.710 54.000 0.055 0.000 0.777 431 D CB -0.461 40.381 40.800 0.071 0.000 1.169 431 D HN -0.076 nan 8.370 nan 0.000 0.506 432 N N 2.046 120.766 118.700 0.033 0.000 2.708 432 N HA -0.240 4.502 4.740 0.004 0.000 0.249 432 N C -0.548 174.979 175.510 0.028 0.000 1.097 432 N CA 1.262 54.329 53.050 0.028 0.000 0.710 432 N CB -1.081 37.419 38.487 0.022 0.000 1.032 432 N HN 0.582 nan 8.380 nan 0.000 0.551 433 E N -2.815 117.403 120.200 0.030 0.000 2.389 433 E HA -0.322 4.031 4.350 0.004 0.000 0.243 433 E C -0.028 176.583 176.600 0.020 0.000 1.154 433 E CA 0.517 56.941 56.400 0.040 0.000 0.723 433 E CB -0.691 29.064 29.700 0.091 0.000 1.261 433 E HN 0.401 nan 8.360 nan 0.000 0.390 434 R N 0.624 121.119 120.500 -0.009 0.000 2.538 434 R HA 0.076 4.418 4.340 0.004 0.000 0.282 434 R C -0.430 175.850 176.300 -0.033 0.000 1.009 434 R CA 0.188 56.277 56.100 -0.019 0.000 1.063 434 R CB 0.592 30.874 30.300 -0.029 0.000 0.945 434 R HN 0.047 nan 8.270 nan 0.000 0.414 435 V N 7.103 127.012 119.914 -0.008 0.000 2.446 435 V HA 0.031 4.153 4.120 0.004 0.000 0.276 435 V C 1.017 177.101 176.094 -0.017 0.000 1.030 435 V CA 0.413 62.717 62.300 0.007 0.000 1.033 435 V CB 0.907 32.750 31.823 0.034 0.000 0.993 435 V HN 0.781 nan 8.190 nan 0.000 0.477 436 V N 1.947 121.837 119.914 -0.040 0.000 3.477 436 V HA 0.699 4.822 4.120 0.004 0.000 0.297 436 V C 0.616 176.718 176.094 0.013 0.000 1.433 436 V CA 0.485 62.749 62.300 -0.060 0.000 1.052 436 V CB 0.293 31.995 31.823 -0.202 0.000 0.895 436 V HN 0.813 nan 8.190 nan 0.000 0.438 437 G N -0.054 108.795 108.800 0.082 0.000 2.746 437 G HA2 0.630 4.592 3.960 0.004 0.000 0.297 437 G HA3 0.630 4.592 3.960 0.004 0.000 0.297 437 G C -2.048 173.034 174.900 0.304 0.000 1.426 437 G CA -0.633 44.595 45.100 0.213 0.000 0.989 437 G HN 0.279 nan 8.290 nan 0.000 0.520 438 F N 2.209 122.224 119.950 0.110 0.000 2.585 438 F HA 0.668 5.197 4.527 0.004 0.000 0.319 438 F C -1.461 174.348 175.800 0.014 0.000 1.165 438 F CA -0.713 57.300 58.000 0.021 0.000 0.949 438 F CB 1.785 40.652 39.000 -0.221 0.000 1.218 438 F HN 0.537 nan 8.300 nan 0.000 0.453 439 H N 4.316 123.167 119.070 -0.365 0.000 2.759 439 H HA 0.692 5.250 4.556 0.004 0.000 0.354 439 H C -1.369 173.894 175.328 -0.109 0.000 1.074 439 H CA -1.081 54.927 56.048 -0.066 0.000 1.226 439 H CB 2.043 31.906 29.762 0.168 0.000 1.648 439 H HN 0.537 nan 8.280 nan 0.000 0.529 440 V N 4.069 124.095 119.914 0.187 0.000 2.709 440 V HA 0.528 4.651 4.120 0.004 0.000 0.308 440 V C -1.511 174.800 176.094 0.362 0.000 1.062 440 V CA -0.871 61.575 62.300 0.244 0.000 0.901 440 V CB 1.950 33.945 31.823 0.287 0.000 1.003 440 V HN 0.642 nan 8.190 nan 0.000 0.425 441 L N 7.150 128.557 121.223 0.307 0.000 2.316 441 L HA 1.026 5.369 4.340 0.004 0.000 0.280 441 L C 0.012 177.033 176.870 0.251 0.000 1.006 441 L CA 1.136 56.124 54.840 0.247 0.000 0.836 441 L CB 0.946 43.077 42.059 0.120 0.000 1.221 441 L HN 1.018 nan 8.230 nan 0.000 0.418 442 G N 4.016 112.968 108.800 0.254 0.000 2.341 442 G HA2 0.378 4.341 3.960 0.004 0.000 0.299 442 G HA3 0.378 4.341 3.960 0.004 0.000 0.299 442 G C -3.433 171.606 174.900 0.232 0.000 1.274 442 G CA -0.744 44.506 45.100 0.250 0.000 0.853 442 G HN 0.335 nan 8.290 nan 0.000 0.493 443 P HA 0.303 nan 4.420 nan 0.000 0.276 443 P C -0.146 177.265 177.300 0.186 0.000 1.244 443 P CA -0.261 62.975 63.100 0.227 0.000 0.801 443 P CB 0.501 32.311 31.700 0.184 0.000 1.006 444 N N -0.137 118.675 118.700 0.187 0.000 2.693 444 N HA -0.263 4.480 4.740 0.004 0.000 0.249 444 N C 1.123 176.721 175.510 0.148 0.000 1.119 444 N CA 1.008 54.154 53.050 0.159 0.000 0.717 444 N CB -1.500 37.060 38.487 0.120 0.000 1.071 444 N HN 0.543 nan 8.380 nan 0.000 0.555 445 A N 0.055 122.962 122.820 0.145 0.000 1.940 445 A HA -0.179 4.144 4.320 0.004 0.000 0.221 445 A C 2.352 179.992 177.584 0.094 0.000 1.190 445 A CA 2.632 54.744 52.037 0.125 0.000 0.647 445 A CB -1.050 17.994 19.000 0.074 0.000 0.821 445 A HN 0.557 nan 8.150 nan 0.000 0.457 446 G N -0.803 108.029 108.800 0.054 0.000 2.404 446 G HA2 -0.166 3.797 3.960 0.004 0.000 0.215 446 G HA3 -0.166 3.797 3.960 0.004 0.000 0.215 446 G C 1.338 176.288 174.900 0.083 0.000 1.174 446 G CA 0.878 46.013 45.100 0.059 0.000 0.780 446 G HN 0.559 nan 8.290 nan 0.000 0.537 447 E N 0.593 120.852 120.200 0.097 0.000 2.160 447 E HA -0.099 4.253 4.350 0.004 0.000 0.195 447 E C 2.793 179.432 176.600 0.065 0.000 0.991 447 E CA 0.911 57.351 56.400 0.066 0.000 0.810 447 E CB -0.404 29.334 29.700 0.064 0.000 0.742 447 E HN 0.380 nan 8.360 nan 0.000 0.466 448 V N 1.292 121.279 119.914 0.122 0.000 2.323 448 V HA -0.186 3.937 4.120 0.004 0.000 0.244 448 V C 2.373 178.605 176.094 0.230 0.000 1.041 448 V CA 2.061 64.477 62.300 0.194 0.000 1.025 448 V CB -0.903 31.087 31.823 0.277 0.000 0.656 448 V HN 0.247 nan 8.190 nan 0.000 0.451 449 T N -0.886 113.795 114.554 0.211 0.000 2.777 449 T HA -0.224 4.129 4.350 0.004 0.000 0.266 449 T C 1.902 176.563 174.700 -0.064 0.000 1.040 449 T CA 1.471 63.669 62.100 0.162 0.000 1.141 449 T CB -0.293 68.663 68.868 0.146 0.000 0.868 449 T HN 0.331 nan 8.240 nan 0.000 0.444 450 Q N 1.512 121.283 119.800 -0.049 0.000 2.028 450 Q HA -0.166 4.177 4.340 0.004 0.000 0.213 450 Q C 2.460 178.351 176.000 -0.182 0.000 1.017 450 Q CA 2.571 58.315 55.803 -0.098 0.000 0.875 450 Q CB -1.367 27.333 28.738 -0.063 0.000 0.962 450 Q HN 0.521 nan 8.270 nan 0.000 0.413 451 G N -0.787 107.871 108.800 -0.238 0.000 2.553 451 G HA2 -0.295 3.667 3.960 0.004 0.000 0.218 451 G HA3 -0.295 3.667 3.960 0.004 0.000 0.218 451 G C 1.294 175.919 174.900 -0.458 0.000 1.195 451 G CA 1.189 46.066 45.100 -0.371 0.000 0.779 451 G HN 0.426 nan 8.290 nan 0.000 0.577 452 F N 1.901 121.589 119.950 -0.437 0.000 2.202 452 F HA -0.000 4.529 4.527 0.004 0.000 0.301 452 F C 3.019 178.497 175.800 -0.536 0.000 1.082 452 F CA 0.792 58.408 58.000 -0.640 0.000 1.313 452 F CB -0.511 37.657 39.000 -1.386 0.000 1.024 452 F HN 0.260 nan 8.300 nan 0.000 0.495 453 A N -0.123 122.512 122.820 -0.307 0.000 1.972 453 A HA -0.027 4.296 4.320 0.004 0.000 0.219 453 A C 2.434 179.919 177.584 -0.165 0.000 1.169 453 A CA 1.597 53.500 52.037 -0.225 0.000 0.635 453 A CB -1.150 17.744 19.000 -0.177 0.000 0.810 453 A HN 0.301 nan 8.150 nan 0.000 0.446 454 A N -0.109 122.609 122.820 -0.171 0.000 1.898 454 A HA 0.224 4.546 4.320 0.004 0.000 0.216 454 A C 2.497 180.009 177.584 -0.120 0.000 1.181 454 A CA 1.825 53.781 52.037 -0.135 0.000 0.620 454 A CB -1.000 17.917 19.000 -0.139 0.000 0.819 454 A HN 1.027 nan 8.150 nan 0.000 0.442 455 A N 0.024 122.759 122.820 -0.140 0.000 1.908 455 A HA -0.115 4.208 4.320 0.004 0.000 0.218 455 A C 2.129 179.671 177.584 -0.070 0.000 1.181 455 A CA 1.556 53.538 52.037 -0.093 0.000 0.627 455 A CB -0.655 18.310 19.000 -0.059 0.000 0.818 455 A HN 0.472 nan 8.150 nan 0.000 0.445 456 L N -0.673 120.497 121.223 -0.089 0.000 2.079 456 L HA -0.208 4.135 4.340 0.004 0.000 0.210 456 L C 2.286 179.124 176.870 -0.053 0.000 1.081 456 L CA 1.670 56.469 54.840 -0.069 0.000 0.752 456 L CB -0.601 41.405 42.059 -0.088 0.000 0.896 456 L HN 0.414 nan 8.230 nan 0.000 0.433 457 K N -0.553 119.810 120.400 -0.063 0.000 2.515 457 K HA -0.073 4.249 4.320 0.004 0.000 0.196 457 K C 1.450 178.026 176.600 -0.040 0.000 1.038 457 K CA 0.640 56.898 56.287 -0.049 0.000 0.967 457 K CB -0.062 32.405 32.500 -0.056 0.000 0.780 457 K HN 0.442 nan 8.250 nan 0.000 0.483 458 C N 0.402 119.677 119.300 -0.042 0.000 2.884 458 C HA 0.251 4.714 4.460 0.004 0.000 0.287 458 C C 1.108 176.085 174.990 -0.022 0.000 1.310 458 C CA -0.365 58.634 59.018 -0.032 0.000 1.725 458 C CB -0.673 27.044 27.740 -0.039 0.000 2.060 458 C HN 0.629 nan 8.230 nan 0.000 0.618 459 G N 1.803 110.592 108.800 -0.019 0.000 2.272 459 G HA2 -0.243 3.719 3.960 0.004 0.000 0.280 459 G HA3 -0.243 3.719 3.960 0.004 0.000 0.280 459 G C -0.094 174.802 174.900 -0.008 0.000 1.067 459 G CA 0.231 45.325 45.100 -0.010 0.000 0.902 459 G HN 0.660 nan 8.290 nan 0.000 0.500 460 L N 2.007 123.224 121.223 -0.010 0.000 2.628 460 L HA 0.522 4.864 4.340 0.004 0.000 0.274 460 L C 1.055 177.928 176.870 0.004 0.000 1.209 460 L CA 0.926 55.767 54.840 0.000 0.000 0.930 460 L CB 0.131 42.196 42.059 0.010 0.000 1.183 460 L HN 0.651 nan 8.230 nan 0.000 0.492 461 T N 1.239 115.796 114.554 0.006 0.000 2.944 461 T HA 0.368 4.721 4.350 0.004 0.000 0.284 461 T C 0.927 175.628 174.700 0.001 0.000 1.010 461 T CA -0.476 61.627 62.100 0.006 0.000 1.025 461 T CB 1.498 70.369 68.868 0.006 0.000 1.079 461 T HN 0.614 nan 8.240 nan 0.000 0.516 462 K N 0.824 121.222 120.400 -0.003 0.000 2.074 462 K HA -0.211 4.112 4.320 0.004 0.000 0.209 462 K C 2.369 178.933 176.600 -0.061 0.000 1.048 462 K CA 2.340 58.601 56.287 -0.044 0.000 0.926 462 K CB -0.670 31.806 32.500 -0.041 0.000 0.713 462 K HN 0.857 nan 8.250 nan 0.000 0.444 463 Q N -0.231 119.550 119.800 -0.033 0.000 2.119 463 Q HA -0.182 4.161 4.340 0.004 0.000 0.201 463 Q C 2.029 178.017 176.000 -0.019 0.000 0.972 463 Q CA 1.370 57.155 55.803 -0.030 0.000 0.847 463 Q CB -0.420 28.311 28.738 -0.013 0.000 0.903 463 Q HN 0.437 nan 8.270 nan 0.000 0.433 464 Q N 0.555 120.351 119.800 -0.008 0.000 2.079 464 Q HA -0.118 4.224 4.340 0.004 0.000 0.200 464 Q C 2.183 178.190 176.000 0.012 0.000 0.974 464 Q CA 1.036 56.840 55.803 0.002 0.000 0.840 464 Q CB -0.228 28.512 28.738 0.005 0.000 0.898 464 Q HN 0.277 nan 8.270 nan 0.000 0.430 465 L N 2.119 123.351 121.223 0.016 0.000 1.971 465 L HA -0.227 4.116 4.340 0.004 0.000 0.215 465 L C 1.541 178.428 176.870 0.029 0.000 1.072 465 L CA 2.099 56.966 54.840 0.045 0.000 0.758 465 L CB -0.761 41.315 42.059 0.028 0.000 0.889 465 L HN 0.116 nan 8.230 nan 0.000 0.433 466 D N -0.735 119.654 120.400 -0.019 0.000 2.182 466 D HA -0.160 4.482 4.640 0.004 0.000 0.201 466 D C 2.348 178.644 176.300 -0.007 0.000 0.986 466 D CA 1.542 55.524 54.000 -0.030 0.000 0.847 466 D CB -0.256 40.501 40.800 -0.071 0.000 0.942 466 D HN 0.611 nan 8.370 nan 0.000 0.467 467 S N -0.431 115.266 115.700 -0.004 0.000 2.447 467 S HA -0.065 4.408 4.470 0.004 0.000 0.233 467 S C 1.133 175.738 174.600 0.008 0.000 1.006 467 S CA 0.367 58.567 58.200 -0.000 0.000 0.957 467 S CB -0.529 62.669 63.200 -0.002 0.000 0.773 467 S HN 0.012 nan 8.310 nan 0.000 0.507 468 T N 2.866 117.432 114.554 0.021 0.000 2.919 468 T HA 0.446 4.799 4.350 0.004 0.000 0.302 468 T C -0.189 174.530 174.700 0.033 0.000 1.031 468 T CA -0.175 61.942 62.100 0.030 0.000 1.127 468 T CB 0.521 69.424 68.868 0.058 0.000 0.952 468 T HN 0.117 nan 8.240 nan 0.000 0.540 469 I N 1.725 122.310 120.570 0.025 0.000 2.577 469 I HA 0.510 4.683 4.170 0.004 0.000 0.305 469 I C 0.978 177.120 176.117 0.041 0.000 0.986 469 I CA -0.049 61.266 61.300 0.026 0.000 1.189 469 I CB 1.348 39.356 38.000 0.014 0.000 1.355 469 I HN 0.732 nan 8.210 nan 0.000 0.476 470 G N 5.253 114.081 108.800 0.048 0.000 2.448 470 G HA2 0.577 4.540 3.960 0.004 0.000 0.285 470 G HA3 0.577 4.540 3.960 0.004 0.000 0.285 470 G C -0.432 174.510 174.900 0.071 0.000 1.176 470 G CA -0.531 44.611 45.100 0.069 0.000 0.852 470 G HN 0.496 nan 8.290 nan 0.000 0.530 471 I N 0.584 121.197 120.570 0.072 0.000 2.395 471 I HA 0.256 4.428 4.170 0.004 0.000 0.289 471 I C 0.082 176.266 176.117 0.111 0.000 1.023 471 I CA -0.423 60.918 61.300 0.068 0.000 1.350 471 I CB 1.201 39.221 38.000 0.032 0.000 1.409 471 I HN 0.573 nan 8.210 nan 0.000 0.507 472 H N 7.073 126.145 119.070 0.004 0.000 2.637 472 H HA 0.591 5.149 4.556 0.004 0.000 0.363 472 H C -2.575 172.754 175.328 0.003 0.000 1.131 472 H CA -1.669 54.381 56.048 0.003 0.000 1.183 472 H CB 1.983 31.748 29.762 0.005 0.000 1.637 472 H HN 0.377 nan 8.280 nan 0.000 0.531 473 P HA 0.374 nan 4.420 nan 0.000 0.303 473 P C -1.522 175.615 177.300 -0.272 0.000 1.370 473 P CA -0.558 62.058 63.100 -0.806 0.000 0.854 473 P CB 1.589 32.777 31.700 -0.854 0.000 0.946 474 V N 3.035 122.872 119.914 -0.128 0.000 2.932 474 V HA 0.052 4.175 4.120 0.004 0.000 0.307 474 V C 1.344 177.411 176.094 -0.045 0.000 1.147 474 V CA -0.527 61.735 62.300 -0.063 0.000 0.951 474 V CB 1.890 33.697 31.823 -0.028 0.000 1.031 474 V HN 0.743 nan 8.190 nan 0.000 0.426 475 C N 2.925 122.195 119.300 -0.049 0.000 2.367 475 C HA -0.226 4.237 4.460 0.004 0.000 0.276 475 C C 2.845 177.726 174.990 -0.181 0.000 1.195 475 C CA 1.901 60.851 59.018 -0.114 0.000 1.756 475 C CB -1.091 26.627 27.740 -0.036 0.000 2.046 475 C HN 1.085 nan 8.230 nan 0.000 0.453 476 A N 1.186 124.000 122.820 -0.009 0.000 2.054 476 A HA -0.304 4.019 4.320 0.004 0.000 0.223 476 A C 2.044 179.726 177.584 0.164 0.000 1.169 476 A CA 2.312 54.447 52.037 0.164 0.000 0.655 476 A CB -0.891 18.257 19.000 0.246 0.000 0.812 476 A HN 0.885 nan 8.150 nan 0.000 0.462 477 E N -0.150 120.081 120.200 0.053 0.000 2.209 477 E HA -0.210 4.143 4.350 0.004 0.000 0.196 477 E C 1.861 178.457 176.600 -0.006 0.000 0.993 477 E CA 1.197 57.638 56.400 0.070 0.000 0.819 477 E CB -0.575 29.172 29.700 0.079 0.000 0.745 477 E HN 0.681 nan 8.360 nan 0.000 0.477 478 I N 0.254 120.708 120.570 -0.193 0.000 2.530 478 I HA -0.244 3.929 4.170 0.004 0.000 0.257 478 I C 1.146 177.094 176.117 -0.281 0.000 1.179 478 I CA 1.061 62.191 61.300 -0.285 0.000 1.440 478 I CB -0.104 37.584 38.000 -0.520 0.000 1.087 478 I HN 0.057 nan 8.210 nan 0.000 0.440 479 F N 0.433 120.303 119.950 -0.133 0.000 2.604 479 F HA -0.114 4.416 4.527 0.005 0.000 0.298 479 F C 2.454 178.221 175.800 -0.055 0.000 1.131 479 F CA 1.036 58.946 58.000 -0.149 0.000 1.457 479 F CB -0.628 38.210 39.000 -0.269 0.000 1.095 479 F HN -0.017 nan 8.300 nan 0.000 0.574 480 T N -1.359 113.276 114.554 0.134 0.000 3.081 480 T HA -0.013 4.340 4.350 0.004 0.000 0.255 480 T C 1.021 175.738 174.700 0.028 0.000 1.113 480 T CA 1.397 63.560 62.100 0.105 0.000 1.082 480 T CB -0.214 68.720 68.868 0.110 0.000 0.939 480 T HN 0.250 nan 8.240 nan 0.000 0.506 481 T N 0.060 114.608 114.554 -0.009 0.000 3.823 481 T HA 0.430 4.782 4.350 0.004 0.000 0.261 481 T C -0.157 174.513 174.700 -0.050 0.000 0.983 481 T CA -0.463 61.618 62.100 -0.032 0.000 1.151 481 T CB -0.624 68.233 68.868 -0.018 0.000 1.062 481 T HN 0.098 nan 8.240 nan 0.000 0.542 482 L N 2.941 124.118 121.223 -0.076 0.000 2.433 482 L HA 0.316 4.659 4.340 0.004 0.000 0.284 482 L C 1.383 178.224 176.870 -0.048 0.000 1.120 482 L CA -0.260 54.547 54.840 -0.055 0.000 0.879 482 L CB 0.597 42.629 42.059 -0.046 0.000 1.232 482 L HN 0.590 nan 8.230 nan 0.000 0.454 483 S N 1.063 116.792 115.700 0.048 0.000 2.514 483 S HA 0.126 4.598 4.470 0.004 0.000 0.223 483 S C 0.512 175.245 174.600 0.221 0.000 1.046 483 S CA -0.333 57.919 58.200 0.087 0.000 0.914 483 S CB 0.422 63.654 63.200 0.054 0.000 0.807 483 S HN 0.236 nan 8.310 nan 0.000 0.497 484 V N 4.157 124.202 119.914 0.219 0.000 2.498 484 V HA 0.463 4.586 4.120 0.004 0.000 0.279 484 V C 0.604 176.829 176.094 0.218 0.000 1.048 484 V CA -0.189 62.237 62.300 0.211 0.000 0.967 484 V CB 1.119 33.059 31.823 0.195 0.000 0.988 484 V HN 0.665 nan 8.190 nan 0.000 0.473 485 T N 1.841 116.439 114.554 0.074 0.000 2.907 485 T HA 0.335 4.688 4.350 0.004 0.000 0.284 485 T C 0.904 175.519 174.700 -0.143 0.000 1.004 485 T CA -0.633 61.365 62.100 -0.169 0.000 1.063 485 T CB 1.450 70.143 68.868 -0.291 0.000 0.992 485 T HN 0.604 nan 8.240 nan 0.000 0.483 486 K N 0.947 121.155 120.400 -0.320 0.000 2.057 486 K HA -0.124 4.199 4.320 0.004 0.000 0.207 486 K C 2.416 178.949 176.600 -0.111 0.000 1.049 486 K CA 1.172 57.315 56.287 -0.241 0.000 0.931 486 K CB -0.151 32.143 32.500 -0.342 0.000 0.714 486 K HN 0.750 nan 8.250 nan 0.000 0.440 487 R N 0.336 120.750 120.500 -0.144 0.000 2.303 487 R HA -0.099 4.244 4.340 0.004 0.000 0.225 487 R C 0.963 177.233 176.300 -0.049 0.000 1.114 487 R CA 1.957 58.002 56.100 -0.091 0.000 1.007 487 R CB -0.025 30.211 30.300 -0.107 0.000 0.861 487 R HN 0.225 nan 8.270 nan 0.000 0.471 488 S N -2.769 112.911 115.700 -0.034 0.000 2.817 488 S HA 0.244 4.716 4.470 0.004 0.000 0.262 488 S C 1.330 175.943 174.600 0.022 0.000 1.051 488 S CA -0.200 57.997 58.200 -0.005 0.000 1.185 488 S CB 0.512 63.710 63.200 -0.003 0.000 1.152 488 S HN 0.381 nan 8.310 nan 0.000 0.653 489 G N 2.332 111.153 108.800 0.035 0.000 3.084 489 G HA2 0.282 4.244 3.960 0.004 0.000 0.202 489 G HA3 0.282 4.244 3.960 0.004 0.000 0.202 489 G C 0.901 175.849 174.900 0.079 0.000 1.239 489 G CA 1.060 46.211 45.100 0.085 0.000 0.779 489 G HN 1.798 nan 8.290 nan 0.000 0.908 490 G N -1.622 107.229 108.800 0.085 0.000 2.373 490 G HA2 0.173 4.136 3.960 0.004 0.000 0.634 490 G HA3 0.173 4.136 3.960 0.004 0.000 0.634 490 G C -1.054 173.892 174.900 0.076 0.000 1.267 490 G CA 0.239 45.376 45.100 0.063 0.000 1.008 490 G HN 0.791 nan 8.290 nan 0.000 0.497 491 D N -0.159 120.272 120.400 0.051 0.000 2.382 491 D HA 0.512 5.154 4.640 0.004 0.000 0.245 491 D C 1.624 177.960 176.300 0.060 0.000 1.120 491 D CA 0.579 54.602 54.000 0.038 0.000 0.890 491 D CB 0.437 41.242 40.800 0.007 0.000 1.201 491 D HN 0.739 nan 8.370 nan 0.000 0.433 492 I N 0.286 120.896 120.570 0.068 0.000 3.817 492 I HA 0.235 4.408 4.170 0.004 0.000 0.325 492 I C -0.479 175.699 176.117 0.102 0.000 1.550 492 I CA -0.315 61.051 61.300 0.111 0.000 1.100 492 I CB 0.136 38.205 38.000 0.115 0.000 1.216 492 I HN 0.075 nan 8.210 nan 0.000 0.481 493 L N 3.581 124.782 121.223 -0.037 0.000 2.397 493 L HA 0.464 4.806 4.340 0.004 0.000 0.263 493 L C -0.504 176.311 176.870 -0.091 0.000 1.136 493 L CA 0.136 54.873 54.840 -0.173 0.000 1.019 493 L CB 0.192 42.079 42.059 -0.287 0.000 1.352 493 L HN 0.322 nan 8.230 nan 0.000 0.420 494 Q N 0.810 120.597 119.800 -0.021 0.000 2.350 494 Q HA 0.196 4.538 4.340 0.004 0.000 0.255 494 Q C 0.495 176.529 176.000 0.057 0.000 0.951 494 Q CA -0.124 55.684 55.803 0.008 0.000 0.751 494 Q CB 2.179 30.936 28.738 0.033 0.000 1.296 494 Q HN 0.583 nan 8.270 nan 0.000 0.453 495 S N -0.248 115.479 115.700 0.046 0.000 2.486 495 S HA 0.105 4.577 4.470 0.004 0.000 0.220 495 S C 1.104 175.839 174.600 0.224 0.000 1.011 495 S CA 0.451 58.748 58.200 0.163 0.000 0.921 495 S CB 0.306 63.564 63.200 0.097 0.000 0.785 495 S HN 0.537 nan 8.310 nan 0.000 0.517 496 G N 0.690 109.577 108.800 0.145 0.000 2.608 496 G HA2 0.246 4.208 3.960 0.004 0.000 0.212 496 G HA3 0.246 4.208 3.960 0.004 0.000 0.212 496 G C -0.502 174.472 174.900 0.122 0.000 1.572 496 G CA -0.182 45.007 45.100 0.147 0.000 1.064 496 G HN 0.487 nan 8.290 nan 0.000 0.556 497 C N -0.049 119.305 119.300 0.090 0.000 2.225 497 C HA 0.483 4.946 4.460 0.004 0.000 0.328 497 C C 0.653 175.675 174.990 0.053 0.000 1.187 497 C CA -0.783 58.277 59.018 0.070 0.000 1.665 497 C CB -0.957 26.817 27.740 0.058 0.000 2.253 497 C HN 0.597 nan 8.230 nan 0.000 0.497 498 C N 1.958 121.289 119.300 0.050 0.000 3.596 498 C HA 0.688 5.150 4.460 0.004 0.000 0.268 498 C C 0.745 175.754 174.990 0.031 0.000 1.912 498 C CA -0.176 58.865 59.018 0.039 0.000 1.721 498 C CB -1.373 26.392 27.740 0.042 0.000 3.328 498 C HN 1.105 nan 8.230 nan 0.000 0.500 499 G N 0.000 108.815 108.800 0.026 0.000 5.446 499 G HA2 0.000 3.963 3.960 0.004 0.000 0.244 499 G HA3 0.000 3.963 3.960 0.004 0.000 0.244 499 G CA 0.000 45.107 45.100 0.012 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925