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 2o78_1_B DATA FIRST_RESID 7 DATA SEQUENCE PKPAVELDRH IDLDQAHAVA SGGARIVLAP PARDRCRASE ARLGAVIREA DATA SEQUENCE RHVYGLTTGF GPLANRLISG ENVRTLQANL VHFLASGVGP VLDWTTARAM DATA SEQUENCE VLARLVSIAQ GASGASEGTI ARLIDLLNSE LAPAVPSRGT VGXXXDLTPL DATA SEQUENCE AHMVLCLQGR GDFLDRDGTR LDGAEGLRRG RLQPLDLSHR DALALVNGTS DATA SEQUENCE AMTGIALVNA HACRHLGNWA VALTALLAEC LRGRTEAWAA ALSDLRPHPG DATA SEQUENCE QKDAAARLRA RVDGSARVVR HVIAERRLDA GDIGTEPEAG QDAYSLRCAP DATA SEQUENCE QVLGAGFDTL AWHDRVLTIE LNAVTDNPVF PPDGSVPALH GGNFMGQHVA DATA SEQUENCE LTSDALATAV TVLAGLAERQ IARLTDERLN RGLPPFLHRG PAGLNSGFMG DATA SEQUENCE AQVTATALLA EMRATGPASI HSISTNAANQ DVVSLGTIAA RLCREKIDRW DATA SEQUENCE AEILAILALC LAQAAELRCG SGLDGVSPAG KKLVQALREQ FPPLETDRPL DATA SEQUENCE GQEIAALATH LLQQSPV 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.308 177.300 0.013 0.000 1.155 7 P CA 0.000 63.106 63.100 0.010 0.000 0.800 7 P CB 0.000 31.706 31.700 0.010 0.000 0.726 8 K N 2.578 122.986 120.400 0.014 0.000 2.511 8 K HA 0.077 4.400 4.320 0.005 0.000 0.277 8 K C -1.934 174.676 176.600 0.016 0.000 1.025 8 K CA -0.378 55.919 56.287 0.018 0.000 1.112 8 K CB 0.212 32.724 32.500 0.019 0.000 0.859 8 K HN 0.054 nan 8.250 nan 0.000 0.485 9 P HA -0.016 nan 4.420 nan 0.000 0.268 9 P C -1.484 175.823 177.300 0.012 0.000 1.208 9 P CA -0.021 63.089 63.100 0.017 0.000 0.777 9 P CB 0.947 32.661 31.700 0.022 0.000 0.875 10 A N 2.049 124.875 122.820 0.010 0.000 2.356 10 A HA 0.552 4.875 4.320 0.005 0.000 0.310 10 A C -0.982 176.604 177.584 0.003 0.000 1.075 10 A CA -0.594 51.445 52.037 0.005 0.000 0.746 10 A CB 1.129 20.131 19.000 0.004 0.000 1.221 10 A HN 0.320 nan 8.150 nan 0.000 0.443 11 V N 2.467 122.379 119.914 -0.002 0.000 2.347 11 V HA 0.291 4.413 4.120 0.005 0.000 0.280 11 V C 0.250 176.340 176.094 -0.007 0.000 1.021 11 V CA -0.322 61.975 62.300 -0.004 0.000 0.847 11 V CB 1.217 33.032 31.823 -0.012 0.000 0.990 11 V HN 0.956 nan 8.190 nan 0.000 0.444 12 E N 4.731 124.929 120.200 -0.002 0.000 2.044 12 E HA 0.326 4.679 4.350 0.005 0.000 0.282 12 E C -0.795 175.803 176.600 -0.003 0.000 1.031 12 E CA -0.793 55.605 56.400 -0.002 0.000 0.824 12 E CB 1.108 30.810 29.700 0.002 0.000 1.076 12 E HN 0.572 nan 8.360 nan 0.000 0.395 13 L N 5.304 126.521 121.223 -0.010 0.000 2.313 13 L HA 0.222 4.565 4.340 0.005 0.000 0.282 13 L C -0.047 176.821 176.870 -0.004 0.000 1.092 13 L CA 0.665 55.498 54.840 -0.012 0.000 0.831 13 L CB 1.121 43.166 42.059 -0.023 0.000 1.159 13 L HN 0.710 nan 8.230 nan 0.000 0.442 14 D N 2.920 123.323 120.400 0.005 0.000 3.074 14 D HA 0.173 4.816 4.640 0.005 0.000 0.227 14 D C 1.335 177.644 176.300 0.015 0.000 1.553 14 D CA 0.682 54.688 54.000 0.011 0.000 1.347 14 D CB 0.711 41.522 40.800 0.018 0.000 1.021 14 D HN 0.586 nan 8.370 nan 0.000 0.260 15 R N -1.582 118.938 120.500 0.033 0.000 2.197 15 R HA 0.195 4.538 4.340 0.005 0.000 0.188 15 R C 0.238 176.582 176.300 0.073 0.000 1.015 15 R CA -0.175 55.952 56.100 0.045 0.000 1.132 15 R CB 0.401 30.732 30.300 0.052 0.000 1.134 15 R HN 0.194 nan 8.270 nan 0.000 0.560 16 H N 0.360 119.422 119.070 -0.012 0.000 2.469 16 H HA 0.511 5.070 4.556 0.005 0.000 0.342 16 H C -1.303 174.018 175.328 -0.011 0.000 1.115 16 H CA -0.570 55.470 56.048 -0.013 0.000 1.204 16 H CB 1.242 30.996 29.762 -0.012 0.000 1.492 16 H HN 0.037 nan 8.280 nan 0.000 0.499 17 I N 4.647 124.887 120.570 -0.550 0.000 2.533 17 I HA 0.259 4.432 4.170 0.005 0.000 0.290 17 I C -1.093 174.723 176.117 -0.502 0.000 1.056 17 I CA -0.898 60.198 61.300 -0.340 0.000 1.057 17 I CB 1.332 39.217 38.000 -0.191 0.000 1.240 17 I HN 0.833 nan 8.210 nan 0.000 0.423 18 D N 6.107 126.383 120.400 -0.207 0.000 2.387 18 D HA 0.207 4.850 4.640 0.005 0.000 0.251 18 D C 1.033 177.301 176.300 -0.053 0.000 1.141 18 D CA -0.584 53.363 54.000 -0.088 0.000 0.987 18 D CB 1.004 41.841 40.800 0.062 0.000 1.116 18 D HN 0.504 nan 8.370 nan 0.000 0.491 19 L N -0.295 120.922 121.223 -0.008 0.000 2.079 19 L HA -0.158 4.185 4.340 0.005 0.000 0.210 19 L C 1.479 178.386 176.870 0.062 0.000 1.081 19 L CA 1.416 56.270 54.840 0.023 0.000 0.752 19 L CB -0.499 41.585 42.059 0.042 0.000 0.896 19 L HN 0.466 nan 8.230 nan 0.000 0.433 20 D N -0.247 120.191 120.400 0.064 0.000 2.117 20 D HA -0.166 4.476 4.640 0.005 0.000 0.198 20 D C 2.306 178.650 176.300 0.074 0.000 0.982 20 D CA 1.064 55.120 54.000 0.093 0.000 0.828 20 D CB -0.118 40.729 40.800 0.078 0.000 0.967 20 D HN 0.435 nan 8.370 nan 0.000 0.464 21 Q N 0.579 120.400 119.800 0.035 0.000 2.084 21 Q HA -0.084 4.259 4.340 0.005 0.000 0.202 21 Q C 2.280 178.277 176.000 -0.006 0.000 0.978 21 Q CA 1.391 57.201 55.803 0.012 0.000 0.844 21 Q CB -0.137 28.597 28.738 -0.007 0.000 0.898 21 Q HN 0.197 nan 8.270 nan 0.000 0.426 22 A N 0.953 123.765 122.820 -0.014 0.000 1.883 22 A HA -0.255 4.068 4.320 0.005 0.000 0.217 22 A C 1.968 179.531 177.584 -0.036 0.000 1.186 22 A CA 1.734 53.751 52.037 -0.033 0.000 0.624 22 A CB -0.885 18.095 19.000 -0.034 0.000 0.822 22 A HN 0.461 nan 8.150 nan 0.000 0.444 23 H N -0.167 118.853 119.070 -0.083 0.000 2.428 23 H HA 0.056 4.614 4.556 0.004 0.000 0.296 23 H C 2.243 177.489 175.328 -0.138 0.000 1.062 23 H CA 1.363 57.324 56.048 -0.145 0.000 1.350 23 H CB -0.123 29.475 29.762 -0.273 0.000 1.403 23 H HN 0.417 nan 8.280 nan 0.000 0.533 24 A N 0.457 123.261 122.820 -0.027 0.000 1.902 24 A HA -0.101 4.222 4.320 0.005 0.000 0.217 24 A C 2.802 180.339 177.584 -0.078 0.000 1.181 24 A CA 1.577 53.600 52.037 -0.023 0.000 0.623 24 A CB -0.805 18.211 19.000 0.027 0.000 0.818 24 A HN 0.283 nan 8.150 nan 0.000 0.443 25 V N -0.275 119.586 119.914 -0.090 0.000 2.323 25 V HA -0.182 3.941 4.120 0.005 0.000 0.244 25 V C 3.054 179.050 176.094 -0.164 0.000 1.041 25 V CA 1.793 64.035 62.300 -0.097 0.000 1.025 25 V CB -1.255 30.518 31.823 -0.084 0.000 0.656 25 V HN 0.596 nan 8.190 nan 0.000 0.451 26 A N 0.874 123.556 122.820 -0.231 0.000 1.940 26 A HA -0.199 4.123 4.320 0.005 0.000 0.219 26 A C 2.381 179.743 177.584 -0.371 0.000 1.176 26 A CA 2.253 54.099 52.037 -0.318 0.000 0.631 26 A CB -0.670 18.145 19.000 -0.309 0.000 0.814 26 A HN 0.695 nan 8.150 nan 0.000 0.446 27 S N -1.974 113.522 115.700 -0.340 0.000 2.603 27 S HA 0.374 4.847 4.470 0.005 0.000 0.220 27 S C 1.385 176.098 174.600 0.190 0.000 0.967 27 S CA 1.004 59.153 58.200 -0.084 0.000 0.920 27 S CB -0.332 62.732 63.200 -0.226 0.000 0.773 27 S HN 1.936 nan 8.310 nan 0.000 0.529 28 G N 0.432 109.273 108.800 0.070 0.000 2.148 28 G HA2 -0.222 3.741 3.960 0.005 0.000 0.254 28 G HA3 -0.222 3.741 3.960 0.005 0.000 0.254 28 G C 0.841 175.803 174.900 0.103 0.000 0.981 28 G CA 0.152 45.352 45.100 0.166 0.000 0.670 28 G HN 0.945 nan 8.290 nan 0.000 0.528 29 G N -0.447 108.388 108.800 0.058 0.000 2.511 29 G HA2 0.546 4.509 3.960 0.005 0.000 0.217 29 G HA3 0.546 4.509 3.960 0.005 0.000 0.217 29 G C 0.683 175.605 174.900 0.037 0.000 1.133 29 G CA 1.682 46.814 45.100 0.053 0.000 0.792 29 G HN 1.804 nan 8.290 nan 0.000 0.539 30 A N -0.140 122.692 122.820 0.019 0.000 2.475 30 A HA 0.744 5.066 4.320 0.005 0.000 0.301 30 A C 0.001 177.586 177.584 0.002 0.000 1.059 30 A CA -0.915 51.129 52.037 0.012 0.000 0.710 30 A CB 1.299 20.304 19.000 0.007 0.000 1.288 30 A HN 0.402 nan 8.150 nan 0.000 0.408 31 R N 1.091 121.592 120.500 0.003 0.000 2.553 31 R HA 0.817 5.160 4.340 0.005 0.000 0.263 31 R C -0.807 175.487 176.300 -0.011 0.000 1.066 31 R CA -0.497 55.601 56.100 -0.003 0.000 1.135 31 R CB 0.966 31.267 30.300 0.002 0.000 1.148 31 R HN 0.641 nan 8.270 nan 0.000 0.558 32 I N 1.240 121.800 120.570 -0.017 0.000 2.689 32 I HA 0.463 4.636 4.170 0.005 0.000 0.299 32 I C -1.177 174.930 176.117 -0.017 0.000 1.059 32 I CA -1.203 60.085 61.300 -0.020 0.000 1.055 32 I CB 2.293 40.274 38.000 -0.032 0.000 1.243 32 I HN 0.655 nan 8.210 nan 0.000 0.425 33 V N 4.630 124.536 119.914 -0.014 0.000 2.841 33 V HA 0.566 4.689 4.120 0.005 0.000 0.310 33 V C -1.309 174.777 176.094 -0.012 0.000 1.090 33 V CA -0.899 61.394 62.300 -0.012 0.000 0.930 33 V CB 1.721 33.539 31.823 -0.008 0.000 1.014 33 V HN 0.650 nan 8.190 nan 0.000 0.425 34 L N 4.210 125.426 121.223 -0.013 0.000 2.281 34 L HA 0.822 5.165 4.340 0.005 0.000 0.285 34 L C 0.839 177.705 176.870 -0.008 0.000 1.074 34 L CA 0.334 55.167 54.840 -0.012 0.000 0.817 34 L CB 0.725 42.776 42.059 -0.014 0.000 1.168 34 L HN 1.159 nan 8.230 nan 0.000 0.434 35 A N 6.880 129.697 122.820 -0.005 0.000 2.445 35 A HA 0.373 4.696 4.320 0.005 0.000 0.242 35 A C -1.616 175.967 177.584 -0.002 0.000 1.075 35 A CA -0.770 51.266 52.037 -0.002 0.000 0.777 35 A CB -0.337 18.664 19.000 0.002 0.000 1.013 35 A HN 0.787 nan 8.150 nan 0.000 0.493 36 P HA -0.157 nan 4.420 nan 0.000 0.216 36 P C -1.449 175.851 177.300 -0.001 0.000 1.157 36 P CA 1.891 64.990 63.100 -0.002 0.000 0.880 36 P CB -0.772 30.928 31.700 -0.001 0.000 0.791 37 P HA -0.157 nan 4.420 nan 0.000 0.216 37 P C 1.418 178.719 177.300 0.002 0.000 1.150 37 P CA 2.024 65.126 63.100 0.002 0.000 0.837 37 P CB -0.628 31.075 31.700 0.004 0.000 0.786 38 A N -0.188 122.633 122.820 0.001 0.000 1.930 38 A HA -0.178 4.145 4.320 0.005 0.000 0.217 38 A C 2.228 179.811 177.584 -0.003 0.000 1.175 38 A CA 1.253 53.290 52.037 0.000 0.000 0.627 38 A CB -0.967 18.032 19.000 -0.001 0.000 0.815 38 A HN 0.050 nan 8.150 nan 0.000 0.443 39 R N -0.139 120.358 120.500 -0.005 0.000 2.091 39 R HA -0.131 4.212 4.340 0.005 0.000 0.238 39 R C 1.469 177.764 176.300 -0.008 0.000 1.136 39 R CA 1.532 57.627 56.100 -0.009 0.000 0.959 39 R CB -0.411 29.883 30.300 -0.009 0.000 0.856 39 R HN 0.481 nan 8.270 nan 0.000 0.437 40 D N 0.113 120.511 120.400 -0.004 0.000 2.144 40 D HA -0.098 4.545 4.640 0.005 0.000 0.200 40 D C 1.968 178.268 176.300 -0.001 0.000 0.978 40 D CA 0.984 54.983 54.000 -0.003 0.000 0.833 40 D CB -0.111 40.689 40.800 -0.001 0.000 0.961 40 D HN 0.195 nan 8.370 nan 0.000 0.470 41 R N 0.065 120.566 120.500 0.002 0.000 2.096 41 R HA -0.054 4.289 4.340 0.005 0.000 0.235 41 R C 2.437 178.740 176.300 0.005 0.000 1.127 41 R CA 0.851 56.955 56.100 0.006 0.000 0.968 41 R CB -0.421 29.885 30.300 0.009 0.000 0.861 41 R HN 0.229 nan 8.270 nan 0.000 0.440 42 C N -0.068 119.232 119.300 -0.001 0.000 2.457 42 C HA 0.017 4.480 4.460 0.005 0.000 0.278 42 C C 2.564 177.545 174.990 -0.015 0.000 1.309 42 C CA 0.345 59.359 59.018 -0.005 0.000 1.735 42 C CB -0.730 27.003 27.740 -0.012 0.000 1.992 42 C HN 0.453 nan 8.230 nan 0.000 0.493 43 R N 1.174 121.664 120.500 -0.016 0.000 2.096 43 R HA -0.102 4.241 4.340 0.005 0.000 0.235 43 R C 2.368 178.658 176.300 -0.016 0.000 1.127 43 R CA 1.588 57.677 56.100 -0.019 0.000 0.968 43 R CB -0.452 29.840 30.300 -0.014 0.000 0.861 43 R HN 0.551 nan 8.270 nan 0.000 0.440 44 A N 0.154 122.969 122.820 -0.008 0.000 1.930 44 A HA -0.156 4.167 4.320 0.005 0.000 0.217 44 A C 2.171 179.750 177.584 -0.009 0.000 1.175 44 A CA 1.743 53.777 52.037 -0.005 0.000 0.627 44 A CB -0.473 18.529 19.000 0.004 0.000 0.815 44 A HN 0.283 nan 8.150 nan 0.000 0.443 45 S N -0.958 114.740 115.700 -0.004 0.000 2.406 45 S HA -0.145 4.328 4.470 0.005 0.000 0.228 45 S C 1.974 176.538 174.600 -0.060 0.000 1.020 45 S CA 1.352 59.550 58.200 -0.005 0.000 0.965 45 S CB -0.296 62.925 63.200 0.034 0.000 0.798 45 S HN 0.667 nan 8.310 nan 0.000 0.488 46 E N 0.375 120.544 120.200 -0.051 0.000 2.110 46 E HA -0.105 4.248 4.350 0.005 0.000 0.193 46 E C 2.038 178.597 176.600 -0.068 0.000 0.988 46 E CA 1.000 57.359 56.400 -0.067 0.000 0.804 46 E CB -0.285 29.382 29.700 -0.055 0.000 0.745 46 E HN 0.602 nan 8.360 nan 0.000 0.458 47 A N 1.155 123.946 122.820 -0.049 0.000 1.969 47 A HA -0.128 4.195 4.320 0.005 0.000 0.218 47 A C 2.099 179.644 177.584 -0.065 0.000 1.169 47 A CA 1.016 53.029 52.037 -0.040 0.000 0.635 47 A CB -0.310 18.677 19.000 -0.022 0.000 0.810 47 A HN 0.153 nan 8.150 nan 0.000 0.445 48 R N -1.141 119.307 120.500 -0.086 0.000 2.075 48 R HA -0.068 4.275 4.340 0.005 0.000 0.232 48 R C 2.090 178.249 176.300 -0.235 0.000 1.126 48 R CA 1.300 57.334 56.100 -0.110 0.000 0.963 48 R CB -0.582 29.679 30.300 -0.066 0.000 0.858 48 R HN 0.486 nan 8.270 nan 0.000 0.435 49 L N 0.737 121.739 121.223 -0.368 0.000 2.017 49 L HA -0.038 4.304 4.340 0.005 0.000 0.208 49 L C 2.158 178.886 176.870 -0.236 0.000 1.073 49 L CA 2.170 56.702 54.840 -0.513 0.000 0.745 49 L CB -1.089 40.693 42.059 -0.461 0.000 0.894 49 L HN 0.175 nan 8.230 nan 0.000 0.432 50 G N -1.075 107.645 108.800 -0.133 0.000 2.440 50 G HA2 -0.281 3.682 3.960 0.005 0.000 0.218 50 G HA3 -0.281 3.682 3.960 0.005 0.000 0.218 50 G C 1.579 176.446 174.900 -0.056 0.000 1.154 50 G CA 0.956 46.017 45.100 -0.066 0.000 0.767 50 G HN 0.672 nan 8.290 nan 0.000 0.552 51 A N 0.071 122.856 122.820 -0.059 0.000 1.873 51 A HA 0.120 4.443 4.320 0.005 0.000 0.215 51 A C 2.600 180.171 177.584 -0.022 0.000 1.186 51 A CA 1.700 53.718 52.037 -0.032 0.000 0.616 51 A CB -0.663 18.323 19.000 -0.023 0.000 0.823 51 A HN 0.252 nan 8.150 nan 0.000 0.442 52 V N 0.381 120.270 119.914 -0.042 0.000 2.324 52 V HA -0.305 3.818 4.120 0.005 0.000 0.250 52 V C 2.414 178.519 176.094 0.017 0.000 1.060 52 V CA 2.197 64.500 62.300 0.004 0.000 1.042 52 V CB -0.691 31.126 31.823 -0.010 0.000 0.650 52 V HN 0.574 nan 8.190 nan 0.000 0.450 53 I N -0.756 119.805 120.570 -0.015 0.000 2.233 53 I HA -0.193 3.980 4.170 0.005 0.000 0.243 53 I C 2.734 178.852 176.117 0.002 0.000 1.093 53 I CA 1.411 62.710 61.300 -0.000 0.000 1.380 53 I CB -0.434 37.555 38.000 -0.017 0.000 1.067 53 I HN 0.188 nan 8.210 nan 0.000 0.413 54 R N 0.902 121.398 120.500 -0.007 0.000 2.096 54 R HA -0.159 4.184 4.340 0.005 0.000 0.235 54 R C 1.732 178.035 176.300 0.005 0.000 1.127 54 R CA 1.290 57.388 56.100 -0.004 0.000 0.968 54 R CB -0.268 30.027 30.300 -0.008 0.000 0.861 54 R HN 0.490 nan 8.270 nan 0.000 0.440 55 E N 0.077 120.284 120.200 0.013 0.000 2.502 55 E HA 0.092 4.445 4.350 0.005 0.000 0.194 55 E C 0.402 177.020 176.600 0.030 0.000 1.062 55 E CA 0.352 56.766 56.400 0.022 0.000 0.867 55 E CB 0.364 30.081 29.700 0.029 0.000 0.888 55 E HN 0.316 nan 8.360 nan 0.000 0.510 56 A N 2.101 124.939 122.820 0.031 0.000 2.822 56 A HA -0.228 4.095 4.320 0.005 0.000 0.287 56 A C 0.088 177.709 177.584 0.061 0.000 1.479 56 A CA 0.558 52.616 52.037 0.035 0.000 0.779 56 A CB -1.351 17.659 19.000 0.017 0.000 1.022 56 A HN 0.146 nan 8.150 nan 0.000 0.532 57 R N 0.120 120.673 120.500 0.089 0.000 2.643 57 R HA 0.102 4.445 4.340 0.005 0.000 0.270 57 R C 0.526 176.941 176.300 0.190 0.000 1.061 57 R CA -0.062 56.117 56.100 0.132 0.000 1.107 57 R CB 0.085 30.474 30.300 0.148 0.000 0.999 57 R HN 0.722 nan 8.270 nan 0.000 0.460 58 H N 1.840 120.952 119.070 0.070 0.000 3.160 58 H HA 0.214 4.773 4.556 0.004 0.000 0.257 58 H C -0.902 174.497 175.328 0.119 0.000 1.140 58 H CA -0.386 55.696 56.048 0.056 0.000 1.492 58 H CB 0.204 29.973 29.762 0.013 0.000 1.529 58 H HN 0.050 nan 8.280 nan 0.000 0.490 59 V N 6.401 126.519 119.914 0.340 0.000 2.686 59 V HA 0.003 4.126 4.120 0.005 0.000 0.306 59 V C -0.739 175.590 176.094 0.393 0.000 1.065 59 V CA -1.004 61.531 62.300 0.392 0.000 0.894 59 V CB 1.330 33.378 31.823 0.375 0.000 1.004 59 V HN 0.658 nan 8.190 nan 0.000 0.424 60 Y N 3.771 124.335 120.300 0.442 0.000 2.805 60 Y HA 0.356 4.908 4.550 0.004 0.000 0.331 60 Y C 1.374 177.382 175.900 0.180 0.000 1.241 60 Y CA 1.864 60.117 58.100 0.254 0.000 1.546 60 Y CB 0.546 39.201 38.460 0.324 0.000 1.248 60 Y HN 1.063 nan 8.280 nan 0.000 0.559 61 G N 4.145 112.649 108.800 -0.494 0.000 2.234 61 G HA2 -0.305 3.658 3.960 0.005 0.000 0.260 61 G HA3 -0.305 3.658 3.960 0.005 0.000 0.260 61 G C 0.619 175.488 174.900 -0.051 0.000 0.987 61 G CA 0.610 45.539 45.100 -0.285 0.000 0.625 61 G HN 0.674 nan 8.290 nan 0.000 0.532 62 L N -0.161 121.069 121.223 0.012 0.000 2.577 62 L HA 0.285 4.628 4.340 0.005 0.000 0.225 62 L C 2.217 179.096 176.870 0.014 0.000 1.053 62 L CA 1.583 56.457 54.840 0.056 0.000 0.866 62 L CB 0.494 42.634 42.059 0.135 0.000 1.132 62 L HN 0.459 nan 8.230 nan 0.000 0.486 63 T N -4.519 110.039 114.554 0.008 0.000 3.328 63 T HA 0.158 4.511 4.350 0.005 0.000 0.305 63 T C 0.328 174.992 174.700 -0.060 0.000 0.939 63 T CA 0.169 62.262 62.100 -0.011 0.000 0.950 63 T CB 0.101 68.993 68.868 0.039 0.000 1.182 63 T HN 0.167 nan 8.240 nan 0.000 0.545 64 T N -1.526 112.947 114.554 -0.135 0.000 2.865 64 T HA 0.785 5.137 4.350 0.005 0.000 0.294 64 T C 0.574 174.996 174.700 -0.464 0.000 1.119 64 T CA -0.276 61.712 62.100 -0.188 0.000 1.007 64 T CB 1.497 70.347 68.868 -0.030 0.000 1.225 64 T HN 0.296 nan 8.240 nan 0.000 0.515 65 G N -0.142 108.424 108.800 -0.389 0.000 2.553 65 G HA2 0.561 4.524 3.960 0.005 0.000 0.278 65 G HA3 0.561 4.524 3.960 0.005 0.000 0.278 65 G C -1.037 173.433 174.900 -0.716 0.000 1.349 65 G CA -0.830 43.947 45.100 -0.538 0.000 1.037 65 G HN 0.558 nan 8.290 nan 0.000 0.508 66 F N -0.693 119.227 119.950 -0.050 0.000 2.470 66 F HA 0.596 5.125 4.527 0.004 0.000 0.329 66 F C 1.216 177.138 175.800 0.203 0.000 1.072 66 F CA 0.395 58.440 58.000 0.075 0.000 0.989 66 F CB 1.308 40.413 39.000 0.175 0.000 1.193 66 F HN 1.013 nan 8.300 nan 0.000 0.481 67 G N 2.000 111.140 108.800 0.567 0.000 2.611 67 G HA2 -0.294 3.668 3.960 0.005 0.000 0.301 67 G HA3 -0.294 3.668 3.960 0.005 0.000 0.301 67 G C -1.842 173.185 174.900 0.211 0.000 1.233 67 G CA -0.014 45.267 45.100 0.302 0.000 0.993 67 G HN 0.521 nan 8.290 nan 0.000 0.553 68 P HA 0.130 nan 4.420 nan 0.000 0.226 68 P C 1.715 179.055 177.300 0.066 0.000 1.153 68 P CA 0.776 63.925 63.100 0.082 0.000 0.777 68 P CB -0.060 31.672 31.700 0.053 0.000 0.794 69 L N -1.440 119.821 121.223 0.064 0.000 2.627 69 L HA 0.162 4.505 4.340 0.005 0.000 0.233 69 L C 1.962 178.836 176.870 0.006 0.000 1.144 69 L CA 0.077 54.927 54.840 0.017 0.000 0.892 69 L CB -0.648 41.401 42.059 -0.017 0.000 1.039 69 L HN -0.034 nan 8.230 nan 0.000 0.442 70 A N 1.160 124.024 122.820 0.073 0.000 2.172 70 A HA -0.152 4.171 4.320 0.005 0.000 0.216 70 A C 1.915 179.540 177.584 0.069 0.000 1.154 70 A CA 1.219 53.309 52.037 0.088 0.000 0.701 70 A CB -0.467 18.695 19.000 0.270 0.000 0.789 70 A HN 0.640 nan 8.150 nan 0.000 0.465 71 N N -0.586 118.141 118.700 0.045 0.000 2.461 71 N HA -0.016 4.727 4.740 0.005 0.000 0.188 71 N C 0.013 175.515 175.510 -0.013 0.000 1.134 71 N CA 0.166 53.233 53.050 0.029 0.000 0.878 71 N CB -0.166 38.336 38.487 0.025 0.000 0.972 71 N HN 0.163 nan 8.380 nan 0.000 0.456 72 R N 1.001 121.482 120.500 -0.031 0.000 2.204 72 R HA 0.397 4.740 4.340 0.005 0.000 0.341 72 R C -0.167 176.083 176.300 -0.083 0.000 1.035 72 R CA -0.301 55.765 56.100 -0.057 0.000 0.887 72 R CB 0.720 30.984 30.300 -0.061 0.000 1.114 72 R HN 0.146 nan 8.270 nan 0.000 0.473 73 L N 3.839 125.008 121.223 -0.090 0.000 2.417 73 L HA 0.382 4.724 4.340 0.005 0.000 0.268 73 L C 0.117 176.930 176.870 -0.095 0.000 1.158 73 L CA -0.425 54.348 54.840 -0.112 0.000 0.819 73 L CB 0.579 42.553 42.059 -0.143 0.000 1.112 73 L HN 0.348 nan 8.230 nan 0.000 0.458 74 I N 1.242 121.755 120.570 -0.094 0.000 2.465 74 I HA 0.193 4.366 4.170 0.005 0.000 0.291 74 I C 0.271 176.355 176.117 -0.055 0.000 1.014 74 I CA -0.265 60.989 61.300 -0.077 0.000 1.093 74 I CB 1.682 39.625 38.000 -0.096 0.000 1.267 74 I HN 0.528 nan 8.210 nan 0.000 0.431 75 S N 3.363 119.037 115.700 -0.042 0.000 2.564 75 S HA 0.280 4.752 4.470 0.005 0.000 0.278 75 S C 1.539 176.125 174.600 -0.024 0.000 1.333 75 S CA 0.241 58.422 58.200 -0.031 0.000 1.048 75 S CB 1.099 64.284 63.200 -0.026 0.000 0.900 75 S HN 0.891 nan 8.310 nan 0.000 0.505 76 G N 3.200 111.989 108.800 -0.018 0.000 2.503 76 G HA2 -0.291 3.672 3.960 0.005 0.000 0.221 76 G HA3 -0.291 3.672 3.960 0.005 0.000 0.221 76 G C 1.154 176.046 174.900 -0.013 0.000 1.131 76 G CA 1.259 46.351 45.100 -0.013 0.000 0.756 76 G HN 0.962 nan 8.290 nan 0.000 0.572 77 E N 0.114 120.306 120.200 -0.013 0.000 2.333 77 E HA -0.095 4.258 4.350 0.005 0.000 0.198 77 E C 1.096 177.691 176.600 -0.009 0.000 1.007 77 E CA 0.979 57.372 56.400 -0.012 0.000 0.845 77 E CB -0.161 29.532 29.700 -0.011 0.000 0.766 77 E HN 0.378 nan 8.360 nan 0.000 0.507 78 N N 0.560 119.254 118.700 -0.010 0.000 2.204 78 N HA 0.073 4.816 4.740 0.005 0.000 0.219 78 N C 1.217 176.727 175.510 -0.000 0.000 1.151 78 N CA 0.074 53.121 53.050 -0.005 0.000 0.867 78 N CB 1.232 39.715 38.487 -0.008 0.000 1.043 78 N HN 0.042 nan 8.380 nan 0.000 0.516 79 V N 1.033 120.946 119.914 -0.002 0.000 2.427 79 V HA -0.139 3.984 4.120 0.005 0.000 0.248 79 V C 2.318 178.425 176.094 0.022 0.000 1.051 79 V CA 1.414 63.719 62.300 0.008 0.000 1.048 79 V CB -0.276 31.551 31.823 0.007 0.000 0.666 79 V HN 0.245 nan 8.190 nan 0.000 0.456 80 R N -0.203 120.303 120.500 0.011 0.000 2.092 80 R HA -0.118 4.225 4.340 0.005 0.000 0.231 80 R C 2.403 178.709 176.300 0.010 0.000 1.119 80 R CA 1.830 57.935 56.100 0.009 0.000 0.970 80 R CB -0.615 29.684 30.300 -0.002 0.000 0.864 80 R HN 0.489 nan 8.270 nan 0.000 0.440 81 T N 1.778 116.342 114.554 0.016 0.000 2.777 81 T HA -0.104 4.249 4.350 0.005 0.000 0.266 81 T C 1.761 176.492 174.700 0.051 0.000 1.040 81 T CA 0.919 63.034 62.100 0.025 0.000 1.141 81 T CB -0.200 68.685 68.868 0.028 0.000 0.868 81 T HN 0.093 nan 8.240 nan 0.000 0.444 82 L N 1.404 122.666 121.223 0.066 0.000 1.990 82 L HA -0.169 4.174 4.340 0.005 0.000 0.213 82 L C 2.413 179.418 176.870 0.225 0.000 1.072 82 L CA 1.860 56.780 54.840 0.133 0.000 0.755 82 L CB -0.639 41.457 42.059 0.063 0.000 0.889 82 L HN 0.253 nan 8.230 nan 0.000 0.432 83 Q N -0.851 119.037 119.800 0.146 0.000 2.224 83 Q HA -0.090 4.253 4.340 0.005 0.000 0.203 83 Q C 2.203 178.180 176.000 -0.038 0.000 0.970 83 Q CA 1.173 57.038 55.803 0.104 0.000 0.865 83 Q CB -0.272 28.510 28.738 0.073 0.000 0.922 83 Q HN 0.722 nan 8.270 nan 0.000 0.445 84 A N 1.594 124.372 122.820 -0.071 0.000 1.929 84 A HA -0.157 4.166 4.320 0.005 0.000 0.216 84 A C 1.730 179.091 177.584 -0.372 0.000 1.176 84 A CA 1.208 53.104 52.037 -0.236 0.000 0.628 84 A CB -0.261 18.627 19.000 -0.187 0.000 0.816 84 A HN 0.252 nan 8.150 nan 0.000 0.444 85 N N -0.140 118.506 118.700 -0.090 0.000 2.309 85 N HA -0.100 4.642 4.740 0.005 0.000 0.182 85 N C 1.532 177.123 175.510 0.135 0.000 1.018 85 N CA 1.178 54.285 53.050 0.095 0.000 0.876 85 N CB -0.496 38.133 38.487 0.236 0.000 0.972 85 N HN 0.449 nan 8.380 nan 0.000 0.434 86 L N 0.868 122.078 121.223 -0.022 0.000 1.989 86 L HA -0.095 4.248 4.340 0.005 0.000 0.211 86 L C 1.922 178.370 176.870 -0.703 0.000 1.071 86 L CA 1.445 56.003 54.840 -0.470 0.000 0.749 86 L CB -0.717 40.975 42.059 -0.612 0.000 0.890 86 L HN -0.107 nan 8.230 nan 0.000 0.431 87 V N -0.305 119.349 119.914 -0.434 0.000 2.392 87 V HA -0.346 3.777 4.120 0.005 0.000 0.249 87 V C 2.381 178.306 176.094 -0.281 0.000 1.059 87 V CA 2.214 64.291 62.300 -0.372 0.000 1.051 87 V CB -1.021 30.630 31.823 -0.285 0.000 0.658 87 V HN 0.627 nan 8.190 nan 0.000 0.455 88 H N -0.310 118.624 119.070 -0.226 0.000 2.276 88 H HA -0.173 4.385 4.556 0.005 0.000 0.301 88 H C 2.225 177.484 175.328 -0.115 0.000 1.073 88 H CA 1.925 57.894 56.048 -0.132 0.000 1.311 88 H CB -0.272 29.482 29.762 -0.013 0.000 1.379 88 H HN 0.604 nan 8.280 nan 0.000 0.494 89 F N 0.591 120.572 119.950 0.051 0.000 2.451 89 F HA -0.010 4.519 4.527 0.004 0.000 0.299 89 F C 1.599 177.373 175.800 -0.044 0.000 1.101 89 F CA 0.715 58.714 58.000 -0.001 0.000 1.436 89 F CB -0.652 38.353 39.000 0.008 0.000 1.074 89 F HN 0.007 nan 8.300 nan 0.000 0.553 90 L N 0.629 121.457 121.223 -0.658 0.000 2.418 90 L HA 0.233 4.576 4.340 0.005 0.000 0.218 90 L C 1.892 178.606 176.870 -0.261 0.000 1.125 90 L CA 0.388 54.940 54.840 -0.481 0.000 0.835 90 L CB -0.619 41.051 42.059 -0.648 0.000 0.953 90 L HN 0.260 nan 8.230 nan 0.000 0.454 91 A N 0.155 122.789 122.820 -0.310 0.000 3.029 91 A HA 0.147 4.470 4.320 0.005 0.000 0.251 91 A C 1.211 178.752 177.584 -0.072 0.000 1.749 91 A CA 0.310 52.054 52.037 -0.489 0.000 1.386 91 A CB -0.665 17.975 19.000 -0.600 0.000 1.043 91 A HN 0.366 nan 8.150 nan 0.000 0.638 92 S N -0.559 115.200 115.700 0.099 0.000 2.602 92 S HA 0.375 4.847 4.470 0.005 0.000 0.240 92 S C 0.883 175.581 174.600 0.164 0.000 0.992 92 S CA 0.085 58.363 58.200 0.130 0.000 0.971 92 S CB 0.072 63.321 63.200 0.083 0.000 0.855 92 S HN 0.770 nan 8.310 nan 0.000 0.481 93 G N 1.589 110.576 108.800 0.312 0.000 2.544 93 G HA2 0.497 4.460 3.960 0.005 0.000 0.242 93 G HA3 0.497 4.460 3.960 0.005 0.000 0.242 93 G C -0.134 174.735 174.900 -0.052 0.000 1.247 93 G CA 0.129 45.257 45.100 0.047 0.000 0.840 93 G HN 1.052 nan 8.290 nan 0.000 0.578 94 V N -0.942 118.935 119.914 -0.062 0.000 3.182 94 V HA 1.032 5.155 4.120 0.005 0.000 0.308 94 V C 0.547 176.605 176.094 -0.060 0.000 1.240 94 V CA -0.029 62.239 62.300 -0.054 0.000 1.063 94 V CB 1.141 32.954 31.823 -0.018 0.000 1.076 94 V HN 2.573 nan 8.190 nan 0.000 0.446 95 G N 0.623 109.396 108.800 -0.046 0.000 2.661 95 G HA2 0.070 4.033 3.960 0.005 0.000 0.685 95 G HA3 0.070 4.033 3.960 0.005 0.000 0.685 95 G C -2.764 172.110 174.900 -0.043 0.000 1.298 95 G CA -0.299 44.779 45.100 -0.036 0.000 0.855 95 G HN 1.147 nan 8.290 nan 0.000 0.560 96 P HA 0.404 nan 4.420 nan 0.000 0.269 96 P C 0.806 178.086 177.300 -0.032 0.000 1.209 96 P CA 0.452 63.539 63.100 -0.021 0.000 0.776 96 P CB 0.846 32.543 31.700 -0.006 0.000 0.876 97 V N 1.565 121.461 119.914 -0.030 0.000 2.924 97 V HA 0.173 4.296 4.120 0.005 0.000 0.305 97 V C 0.687 176.775 176.094 -0.011 0.000 1.073 97 V CA -0.696 61.581 62.300 -0.038 0.000 1.098 97 V CB -0.454 31.351 31.823 -0.031 0.000 1.000 97 V HN 0.306 nan 8.190 nan 0.000 0.484 98 L N 2.876 124.088 121.223 -0.018 0.000 2.483 98 L HA 0.228 4.571 4.340 0.005 0.000 0.276 98 L C 0.723 177.613 176.870 0.034 0.000 1.213 98 L CA -0.119 54.723 54.840 0.003 0.000 0.843 98 L CB 0.021 42.073 42.059 -0.013 0.000 1.107 98 L HN 1.026 nan 8.230 nan 0.000 0.487 99 D N -0.115 120.321 120.400 0.060 0.000 2.361 99 D HA -0.109 4.534 4.640 0.005 0.000 0.239 99 D C 0.702 177.093 176.300 0.152 0.000 1.200 99 D CA -0.450 53.618 54.000 0.114 0.000 0.915 99 D CB 0.511 41.385 40.800 0.122 0.000 1.170 99 D HN 0.542 nan 8.370 nan 0.000 0.444 100 W N 1.088 122.394 121.300 0.010 0.000 2.301 100 W HA -0.291 4.371 4.660 0.004 0.000 0.325 100 W C 2.235 178.752 176.519 -0.004 0.000 1.250 100 W CA 2.705 60.055 57.345 0.009 0.000 1.261 100 W CB -0.852 28.615 29.460 0.012 0.000 1.157 100 W HN 0.442 nan 8.180 nan 0.000 0.473 101 T N -0.298 114.383 114.554 0.212 0.000 2.746 101 T HA -0.207 4.146 4.350 0.005 0.000 0.267 101 T C 1.562 176.189 174.700 -0.122 0.000 1.039 101 T CA 2.245 64.320 62.100 -0.041 0.000 1.142 101 T CB -0.838 68.103 68.868 0.123 0.000 0.866 101 T HN 0.192 nan 8.240 nan 0.000 0.444 102 T N 1.871 116.411 114.554 -0.023 0.000 2.777 102 T HA 0.051 4.404 4.350 0.005 0.000 0.266 102 T C 2.429 177.085 174.700 -0.074 0.000 1.040 102 T CA 1.035 63.120 62.100 -0.026 0.000 1.141 102 T CB -0.482 68.399 68.868 0.022 0.000 0.868 102 T HN 0.425 nan 8.240 nan 0.000 0.444 103 A N 1.768 124.531 122.820 -0.094 0.000 1.933 103 A HA -0.098 4.225 4.320 0.005 0.000 0.218 103 A C 2.369 179.852 177.584 -0.169 0.000 1.175 103 A CA 1.355 53.324 52.037 -0.113 0.000 0.628 103 A CB -0.447 18.491 19.000 -0.104 0.000 0.814 103 A HN 0.394 nan 8.150 nan 0.000 0.444 104 R N -0.574 119.758 120.500 -0.279 0.000 2.092 104 R HA -0.000 4.343 4.340 0.005 0.000 0.231 104 R C 2.407 178.576 176.300 -0.218 0.000 1.119 104 R CA 1.057 56.967 56.100 -0.318 0.000 0.970 104 R CB -0.404 29.560 30.300 -0.560 0.000 0.864 104 R HN 0.502 nan 8.270 nan 0.000 0.440 105 A N 1.077 123.787 122.820 -0.184 0.000 1.972 105 A HA -0.182 4.141 4.320 0.005 0.000 0.219 105 A C 2.102 179.633 177.584 -0.088 0.000 1.169 105 A CA 1.279 53.242 52.037 -0.123 0.000 0.635 105 A CB -0.438 18.514 19.000 -0.080 0.000 0.810 105 A HN 0.332 nan 8.150 nan 0.000 0.446 106 M N -0.254 119.296 119.600 -0.083 0.000 2.132 106 M HA -0.113 4.370 4.480 0.005 0.000 0.263 106 M C 1.840 178.101 176.300 -0.065 0.000 1.065 106 M CA 1.952 57.215 55.300 -0.061 0.000 1.122 106 M CB -0.208 32.359 32.600 -0.055 0.000 1.365 106 M HN 0.189 nan 8.290 nan 0.000 0.411 107 V N 1.085 120.950 119.914 -0.082 0.000 2.343 107 V HA -0.267 3.856 4.120 0.005 0.000 0.247 107 V C 2.415 178.468 176.094 -0.068 0.000 1.051 107 V CA 1.648 63.905 62.300 -0.072 0.000 1.036 107 V CB -1.005 30.770 31.823 -0.081 0.000 0.654 107 V HN 0.585 nan 8.190 nan 0.000 0.451 108 L N 1.014 122.186 121.223 -0.084 0.000 2.046 108 L HA -0.069 4.274 4.340 0.005 0.000 0.208 108 L C 2.438 179.271 176.870 -0.063 0.000 1.077 108 L CA 2.328 57.121 54.840 -0.077 0.000 0.747 108 L CB -0.955 41.048 42.059 -0.093 0.000 0.896 108 L HN 0.207 nan 8.230 nan 0.000 0.432 109 A N -0.360 122.425 122.820 -0.059 0.000 1.902 109 A HA -0.255 4.068 4.320 0.005 0.000 0.217 109 A C 2.468 180.029 177.584 -0.039 0.000 1.181 109 A CA 1.804 53.811 52.037 -0.049 0.000 0.623 109 A CB -0.619 18.355 19.000 -0.042 0.000 0.818 109 A HN 0.480 nan 8.150 nan 0.000 0.443 110 R N -0.614 119.865 120.500 -0.036 0.000 2.096 110 R HA -0.089 4.254 4.340 0.005 0.000 0.235 110 R C 1.932 178.217 176.300 -0.024 0.000 1.127 110 R CA 1.578 57.663 56.100 -0.026 0.000 0.968 110 R CB -0.658 29.626 30.300 -0.026 0.000 0.861 110 R HN 0.453 nan 8.270 nan 0.000 0.440 111 L N -0.201 121.003 121.223 -0.033 0.000 2.017 111 L HA -0.095 4.248 4.340 0.005 0.000 0.208 111 L C 1.921 178.773 176.870 -0.029 0.000 1.073 111 L CA 1.633 56.455 54.840 -0.031 0.000 0.745 111 L CB -0.522 41.514 42.059 -0.038 0.000 0.894 111 L HN 0.063 nan 8.230 nan 0.000 0.432 112 V N -0.910 118.981 119.914 -0.038 0.000 2.392 112 V HA -0.284 3.839 4.120 0.005 0.000 0.249 112 V C 2.778 178.855 176.094 -0.029 0.000 1.059 112 V CA 1.827 64.103 62.300 -0.040 0.000 1.051 112 V CB -0.922 30.866 31.823 -0.058 0.000 0.658 112 V HN 0.653 nan 8.190 nan 0.000 0.455 113 S N -0.281 115.404 115.700 -0.025 0.000 2.356 113 S HA -0.153 4.320 4.470 0.005 0.000 0.223 113 S C 1.936 176.534 174.600 -0.003 0.000 1.032 113 S CA 1.757 59.948 58.200 -0.015 0.000 1.005 113 S CB -0.349 62.844 63.200 -0.012 0.000 0.867 113 S HN 0.516 nan 8.310 nan 0.000 0.449 114 I N 1.797 122.367 120.570 -0.001 0.000 2.208 114 I HA -0.180 3.993 4.170 0.005 0.000 0.245 114 I C 2.722 178.842 176.117 0.006 0.000 1.097 114 I CA 1.126 62.431 61.300 0.009 0.000 1.363 114 I CB -0.529 37.473 38.000 0.003 0.000 1.051 114 I HN 0.384 nan 8.210 nan 0.000 0.413 115 A N 0.072 122.890 122.820 -0.004 0.000 2.131 115 A HA -0.216 4.107 4.320 0.005 0.000 0.220 115 A C 2.118 179.703 177.584 0.002 0.000 1.158 115 A CA 1.266 53.300 52.037 -0.005 0.000 0.665 115 A CB -0.360 18.632 19.000 -0.012 0.000 0.795 115 A HN 0.423 nan 8.150 nan 0.000 0.460 116 Q N -1.230 118.572 119.800 0.005 0.000 2.369 116 Q HA 0.071 4.413 4.340 0.005 0.000 0.206 116 Q C 1.246 177.256 176.000 0.017 0.000 0.963 116 Q CA 0.862 56.671 55.803 0.009 0.000 0.894 116 Q CB -0.567 28.174 28.738 0.005 0.000 0.965 116 Q HN 1.101 nan 8.270 nan 0.000 0.475 117 G N 0.334 109.147 108.800 0.023 0.000 2.248 117 G HA2 -0.152 3.811 3.960 0.005 0.000 0.252 117 G HA3 -0.152 3.811 3.960 0.005 0.000 0.252 117 G C 0.401 175.336 174.900 0.059 0.000 1.085 117 G CA 0.393 45.513 45.100 0.033 0.000 0.845 117 G HN 0.523 nan 8.290 nan 0.000 0.494 118 A N -1.068 121.798 122.820 0.076 0.000 2.671 118 A HA 0.712 5.034 4.320 0.005 0.000 0.265 118 A C 1.644 179.344 177.584 0.194 0.000 1.148 118 A CA 1.381 53.487 52.037 0.116 0.000 0.977 118 A CB 0.250 19.278 19.000 0.047 0.000 1.242 118 A HN 0.823 nan 8.150 nan 0.000 0.591 119 S N -1.049 114.761 115.700 0.184 0.000 2.502 119 S HA 0.365 4.838 4.470 0.005 0.000 0.215 119 S C 1.545 176.324 174.600 0.298 0.000 1.009 119 S CA 0.725 59.063 58.200 0.231 0.000 0.908 119 S CB 0.422 63.690 63.200 0.114 0.000 0.801 119 S HN 1.686 nan 8.310 nan 0.000 0.505 120 G N 1.913 110.814 108.800 0.169 0.000 2.162 120 G HA2 -0.240 3.723 3.960 0.005 0.000 0.260 120 G HA3 -0.240 3.723 3.960 0.005 0.000 0.260 120 G C 0.246 175.138 174.900 -0.013 0.000 0.976 120 G CA 0.047 45.143 45.100 -0.008 0.000 0.655 120 G HN 0.900 nan 8.290 nan 0.000 0.533 121 A N 0.338 123.169 122.820 0.017 0.000 2.531 121 A HA 0.594 4.917 4.320 0.005 0.000 0.236 121 A C 1.145 178.688 177.584 -0.068 0.000 1.062 121 A CA 1.063 53.090 52.037 -0.015 0.000 0.760 121 A CB 0.198 19.195 19.000 -0.005 0.000 0.995 121 A HN 2.029 nan 8.150 nan 0.000 0.501 122 S N 1.558 117.181 115.700 -0.128 0.000 2.632 122 S HA 0.227 4.700 4.470 0.005 0.000 0.267 122 S C 0.741 175.236 174.600 -0.176 0.000 1.276 122 S CA 0.025 58.081 58.200 -0.239 0.000 0.998 122 S CB 0.845 63.701 63.200 -0.574 0.000 0.953 122 S HN 0.723 nan 8.310 nan 0.000 0.547 123 E N 1.608 121.707 120.200 -0.168 0.000 2.070 123 E HA -0.148 4.205 4.350 0.005 0.000 0.197 123 E C 2.168 178.711 176.600 -0.095 0.000 1.004 123 E CA 1.345 57.682 56.400 -0.104 0.000 0.805 123 E CB -0.848 28.804 29.700 -0.080 0.000 0.744 123 E HN 0.908 nan 8.360 nan 0.000 0.451 124 G N 0.477 109.202 108.800 -0.125 0.000 2.440 124 G HA2 -0.297 3.666 3.960 0.005 0.000 0.218 124 G HA3 -0.297 3.666 3.960 0.005 0.000 0.218 124 G C 1.636 176.499 174.900 -0.061 0.000 1.154 124 G CA 1.430 46.482 45.100 -0.079 0.000 0.767 124 G HN 0.204 nan 8.290 nan 0.000 0.552 125 T N 1.300 115.805 114.554 -0.081 0.000 2.708 125 T HA -0.059 4.294 4.350 0.005 0.000 0.266 125 T C 2.402 177.080 174.700 -0.037 0.000 1.037 125 T CA 1.100 63.171 62.100 -0.049 0.000 1.146 125 T CB -0.175 68.662 68.868 -0.052 0.000 0.865 125 T HN 0.264 nan 8.240 nan 0.000 0.435 126 I N 1.319 121.862 120.570 -0.045 0.000 2.286 126 I HA -0.161 4.012 4.170 0.005 0.000 0.248 126 I C 2.889 178.988 176.117 -0.029 0.000 1.115 126 I CA 1.014 62.294 61.300 -0.034 0.000 1.392 126 I CB -0.465 37.514 38.000 -0.035 0.000 1.065 126 I HN 0.185 nan 8.210 nan 0.000 0.418 127 A N 0.842 123.643 122.820 -0.031 0.000 1.933 127 A HA -0.173 4.150 4.320 0.005 0.000 0.218 127 A C 2.338 179.912 177.584 -0.017 0.000 1.175 127 A CA 1.274 53.296 52.037 -0.024 0.000 0.628 127 A CB -0.385 18.600 19.000 -0.024 0.000 0.814 127 A HN 0.247 nan 8.150 nan 0.000 0.444 128 R N -0.198 120.294 120.500 -0.013 0.000 2.096 128 R HA -0.018 4.325 4.340 0.005 0.000 0.235 128 R C 1.990 178.291 176.300 0.002 0.000 1.127 128 R CA 1.135 57.235 56.100 0.000 0.000 0.968 128 R CB -0.966 29.339 30.300 0.009 0.000 0.861 128 R HN 0.601 nan 8.270 nan 0.000 0.440 129 L N 0.078 121.296 121.223 -0.009 0.000 2.072 129 L HA -0.064 4.279 4.340 0.005 0.000 0.205 129 L C 2.452 179.308 176.870 -0.023 0.000 1.079 129 L CA 1.004 55.835 54.840 -0.015 0.000 0.752 129 L CB -0.433 41.612 42.059 -0.023 0.000 0.906 129 L HN 0.046 nan 8.230 nan 0.000 0.436 130 I N -0.041 120.515 120.570 -0.023 0.000 2.226 130 I HA -0.279 3.893 4.170 0.005 0.000 0.245 130 I C 2.103 178.207 176.117 -0.023 0.000 1.100 130 I CA 1.142 62.426 61.300 -0.026 0.000 1.374 130 I CB -0.365 37.621 38.000 -0.023 0.000 1.057 130 I HN 0.255 nan 8.210 nan 0.000 0.413 131 D N 0.739 121.129 120.400 -0.017 0.000 2.117 131 D HA -0.176 4.466 4.640 0.005 0.000 0.197 131 D C 2.133 178.423 176.300 -0.016 0.000 0.987 131 D CA 0.970 54.961 54.000 -0.016 0.000 0.829 131 D CB -0.324 40.468 40.800 -0.014 0.000 0.961 131 D HN 0.153 nan 8.370 nan 0.000 0.460 132 L N 0.806 122.024 121.223 -0.008 0.000 2.012 132 L HA -0.142 4.201 4.340 0.005 0.000 0.210 132 L C 2.157 179.007 176.870 -0.034 0.000 1.073 132 L CA 1.409 56.250 54.840 0.001 0.000 0.748 132 L CB -0.909 41.169 42.059 0.033 0.000 0.891 132 L HN 0.098 nan 8.230 nan 0.000 0.431 133 L N 0.126 121.318 121.223 -0.052 0.000 2.191 133 L HA -0.210 4.133 4.340 0.005 0.000 0.212 133 L C 2.005 178.844 176.870 -0.052 0.000 1.103 133 L CA 0.917 55.709 54.840 -0.081 0.000 0.769 133 L CB -0.542 41.470 42.059 -0.078 0.000 0.908 133 L HN 0.385 nan 8.230 nan 0.000 0.438 134 N N -0.618 118.066 118.700 -0.027 0.000 2.422 134 N HA -0.013 4.730 4.740 0.005 0.000 0.181 134 N C 0.955 176.471 175.510 0.011 0.000 1.080 134 N CA 0.421 53.466 53.050 -0.008 0.000 0.893 134 N CB 0.188 38.670 38.487 -0.009 0.000 0.973 134 N HN 0.326 nan 8.380 nan 0.000 0.456 135 S N 0.135 115.841 115.700 0.010 0.000 2.686 135 S HA 0.250 4.723 4.470 0.005 0.000 0.270 135 S C 0.785 175.448 174.600 0.105 0.000 1.194 135 S CA -0.412 57.806 58.200 0.030 0.000 0.990 135 S CB 1.367 64.564 63.200 -0.005 0.000 1.029 135 S HN -0.053 nan 8.310 nan 0.000 0.560 136 E N 0.060 120.348 120.200 0.146 0.000 2.444 136 E HA 0.327 4.679 4.350 0.005 0.000 0.191 136 E C -0.104 176.785 176.600 0.481 0.000 1.041 136 E CA -0.003 56.578 56.400 0.303 0.000 0.883 136 E CB -0.178 29.610 29.700 0.148 0.000 1.024 136 E HN 0.507 nan 8.360 nan 0.000 0.470 137 L N -0.157 121.251 121.223 0.308 0.000 2.335 137 L HA 0.745 5.088 4.340 0.005 0.000 0.268 137 L C -0.018 176.959 176.870 0.178 0.000 1.016 137 L CA -1.061 53.986 54.840 0.344 0.000 0.805 137 L CB 1.489 43.615 42.059 0.112 0.000 1.311 137 L HN -0.172 nan 8.230 nan 0.000 0.456 138 A N 0.860 123.819 122.820 0.232 0.000 2.520 138 A HA 0.769 5.092 4.320 0.005 0.000 0.298 138 A C -2.821 174.858 177.584 0.159 0.000 1.051 138 A CA -1.310 50.726 52.037 -0.002 0.000 0.690 138 A CB 1.821 20.616 19.000 -0.342 0.000 1.281 138 A HN 0.357 nan 8.150 nan 0.000 0.402 139 P HA 0.376 nan 4.420 nan 0.000 0.275 139 P C -0.285 176.932 177.300 -0.138 0.000 1.228 139 P CA 0.088 63.054 63.100 -0.224 0.000 0.786 139 P CB 1.271 32.833 31.700 -0.230 0.000 0.927 140 A N 3.460 126.174 122.820 -0.176 0.000 2.391 140 A HA 0.466 4.789 4.320 0.005 0.000 0.316 140 A C -0.208 177.309 177.584 -0.112 0.000 1.381 140 A CA -0.417 51.567 52.037 -0.088 0.000 0.998 140 A CB -0.312 18.654 19.000 -0.057 0.000 1.147 140 A HN 0.355 nan 8.150 nan 0.000 0.545 141 V N 5.677 125.529 119.914 -0.104 0.000 2.540 141 V HA 0.417 4.540 4.120 0.005 0.000 0.302 141 V C -2.203 173.785 176.094 -0.177 0.000 1.035 141 V CA -1.811 60.403 62.300 -0.144 0.000 0.873 141 V CB 2.068 33.838 31.823 -0.088 0.000 0.992 141 V HN 0.807 nan 8.190 nan 0.000 0.428 142 P HA 0.057 nan 4.420 nan 0.000 0.266 142 P C 0.716 177.927 177.300 -0.149 0.000 1.195 142 P CA 0.147 63.104 63.100 -0.238 0.000 0.768 142 P CB 0.967 32.453 31.700 -0.357 0.000 0.838 143 S N 2.811 118.460 115.700 -0.086 0.000 2.461 143 S HA 0.011 4.483 4.470 0.005 0.000 0.228 143 S C 0.838 175.417 174.600 -0.035 0.000 1.005 143 S CA 0.116 58.287 58.200 -0.047 0.000 0.942 143 S CB -0.105 63.081 63.200 -0.024 0.000 0.776 143 S HN 0.417 nan 8.310 nan 0.000 0.514 144 R N -0.275 120.200 120.500 -0.042 0.000 2.787 144 R HA 0.630 4.973 4.340 0.005 0.000 0.271 144 R C 0.771 177.062 176.300 -0.016 0.000 0.993 144 R CA -0.070 56.017 56.100 -0.021 0.000 0.993 144 R CB 1.519 31.809 30.300 -0.015 0.000 1.155 144 R HN 0.312 nan 8.270 nan 0.000 0.486 145 G N 0.182 108.984 108.800 0.003 0.000 2.624 145 G HA2 -0.213 3.750 3.960 0.005 0.000 0.190 145 G HA3 -0.213 3.750 3.960 0.005 0.000 0.190 145 G C 0.083 174.997 174.900 0.022 0.000 1.008 145 G CA -0.053 45.057 45.100 0.018 0.000 0.731 145 G HN 0.604 nan 8.290 nan 0.000 0.478 146 T N 0.629 115.193 114.554 0.016 0.000 2.929 146 T HA 0.536 4.889 4.350 0.005 0.000 0.284 146 T C 1.463 176.176 174.700 0.022 0.000 1.014 146 T CA 0.454 62.564 62.100 0.016 0.000 1.051 146 T CB 1.679 70.552 68.868 0.008 0.000 1.028 146 T HN 1.119 nan 8.240 nan 0.000 0.485 147 V N 1.133 121.062 119.914 0.025 0.000 3.542 147 V HA 0.595 4.718 4.120 0.005 0.000 0.296 147 V C 1.176 177.296 176.094 0.043 0.000 1.364 147 V CA 0.239 62.560 62.300 0.036 0.000 1.118 147 V CB -1.328 30.519 31.823 0.040 0.000 0.972 147 V HN 1.362 nan 8.190 nan 0.000 0.430 153 L N -0.274 120.911 121.223 -0.064 0.000 2.017 153 L HA -0.133 4.209 4.340 0.005 0.000 0.208 153 L C 2.391 179.200 176.870 -0.101 0.000 1.073 153 L CA 1.441 56.218 54.840 -0.104 0.000 0.745 153 L CB -0.607 41.365 42.059 -0.145 0.000 0.894 153 L HN 0.096 nan 8.230 nan 0.000 0.432 154 T N 0.521 115.041 114.554 -0.057 0.000 2.622 154 T HA -0.097 4.256 4.350 0.005 0.000 0.266 154 T C -0.443 174.310 174.700 0.090 0.000 1.047 154 T CA 1.788 63.886 62.100 -0.003 0.000 1.159 154 T CB -1.197 67.697 68.868 0.043 0.000 0.863 154 T HN 0.312 nan 8.240 nan 0.000 0.422 155 P HA 0.012 nan 4.420 nan 0.000 0.218 155 P C 1.549 178.869 177.300 0.033 0.000 1.149 155 P CA 0.979 64.113 63.100 0.057 0.000 0.817 155 P CB -0.210 31.491 31.700 0.000 0.000 0.785 156 L N -0.776 120.438 121.223 -0.015 0.000 2.156 156 L HA -0.044 4.299 4.340 0.005 0.000 0.208 156 L C 2.766 179.591 176.870 -0.075 0.000 1.095 156 L CA 1.168 55.981 54.840 -0.044 0.000 0.770 156 L CB -0.932 41.094 42.059 -0.055 0.000 0.914 156 L HN -0.058 nan 8.230 nan 0.000 0.439 157 A N -0.894 121.857 122.820 -0.115 0.000 1.898 157 A HA -0.214 4.109 4.320 0.005 0.000 0.216 157 A C 2.121 179.587 177.584 -0.198 0.000 1.181 157 A CA 1.213 53.128 52.037 -0.204 0.000 0.620 157 A CB -0.702 18.111 19.000 -0.311 0.000 0.819 157 A HN 0.390 nan 8.150 nan 0.000 0.442 158 H N -1.082 117.923 119.070 -0.109 0.000 2.387 158 H HA -0.117 4.442 4.556 0.004 0.000 0.299 158 H C 2.104 177.359 175.328 -0.122 0.000 1.090 158 H CA 1.804 57.790 56.048 -0.103 0.000 1.332 158 H CB -0.271 29.436 29.762 -0.092 0.000 1.386 158 H HN 0.605 nan 8.280 nan 0.000 0.516 159 M N 0.578 120.175 119.600 -0.005 0.000 2.086 159 M HA -0.154 4.328 4.480 0.005 0.000 0.261 159 M C 2.137 178.389 176.300 -0.081 0.000 1.067 159 M CA 1.348 56.609 55.300 -0.065 0.000 1.116 159 M CB -0.166 32.401 32.600 -0.055 0.000 1.348 159 M HN -0.007 nan 8.290 nan 0.000 0.407 160 V N 1.390 121.257 119.914 -0.077 0.000 2.287 160 V HA -0.317 3.806 4.120 0.005 0.000 0.248 160 V C 2.478 178.530 176.094 -0.069 0.000 1.053 160 V CA 1.969 64.225 62.300 -0.073 0.000 1.027 160 V CB -0.768 30.998 31.823 -0.095 0.000 0.646 160 V HN 0.556 nan 8.190 nan 0.000 0.447 161 L N -0.917 120.254 121.223 -0.087 0.000 2.042 161 L HA -0.251 4.092 4.340 0.005 0.000 0.210 161 L C 2.647 179.471 176.870 -0.076 0.000 1.076 161 L CA 1.753 56.553 54.840 -0.067 0.000 0.749 161 L CB -0.754 41.261 42.059 -0.074 0.000 0.893 161 L HN 0.417 nan 8.230 nan 0.000 0.432 162 C N -0.198 119.011 119.300 -0.151 0.000 2.432 162 C HA -0.151 4.312 4.460 0.005 0.000 0.277 162 C C 2.657 177.537 174.990 -0.183 0.000 1.249 162 C CA 0.430 59.241 59.018 -0.344 0.000 1.725 162 C CB -0.826 26.555 27.740 -0.597 0.000 2.028 162 C HN 0.440 nan 8.230 nan 0.000 0.477 163 L N 0.349 121.548 121.223 -0.041 0.000 2.362 163 L HA -0.156 4.187 4.340 0.005 0.000 0.219 163 L C 2.337 179.281 176.870 0.125 0.000 1.134 163 L CA 1.222 56.143 54.840 0.134 0.000 0.807 163 L CB -0.619 41.481 42.059 0.069 0.000 0.927 163 L HN 0.543 nan 8.230 nan 0.000 0.447 164 Q N -0.464 119.377 119.800 0.068 0.000 2.319 164 Q HA 0.140 4.483 4.340 0.005 0.000 0.202 164 Q C 1.327 177.379 176.000 0.087 0.000 0.896 164 Q CA 0.487 56.327 55.803 0.061 0.000 0.942 164 Q CB 0.748 29.501 28.738 0.025 0.000 1.083 164 Q HN 0.530 nan 8.270 nan 0.000 0.510 165 G N 1.913 110.796 108.800 0.139 0.000 2.143 165 G HA2 -0.313 3.650 3.960 0.005 0.000 0.249 165 G HA3 -0.313 3.650 3.960 0.005 0.000 0.249 165 G C 0.536 175.495 174.900 0.098 0.000 0.981 165 G CA 0.103 45.304 45.100 0.170 0.000 0.665 165 G HN 0.319 nan 8.290 nan 0.000 0.528 166 R N 0.069 120.599 120.500 0.050 0.000 2.552 166 R HA 0.475 4.817 4.340 0.005 0.000 0.314 166 R C 0.993 177.293 176.300 -0.000 0.000 1.041 166 R CA 0.488 56.605 56.100 0.028 0.000 1.076 166 R CB 0.773 31.090 30.300 0.028 0.000 1.290 166 R HN 0.538 nan 8.270 nan 0.000 0.563 167 G N -0.359 108.422 108.800 -0.032 0.000 2.677 167 G HA2 0.221 4.184 3.960 0.005 0.000 0.291 167 G HA3 0.221 4.184 3.960 0.005 0.000 0.291 167 G C -1.554 173.266 174.900 -0.134 0.000 1.435 167 G CA -0.677 44.376 45.100 -0.080 0.000 0.826 167 G HN -0.118 nan 8.290 nan 0.000 0.491 168 D N -0.546 119.788 120.400 -0.111 0.000 2.358 168 D HA 0.596 5.239 4.640 0.005 0.000 0.244 168 D C -0.558 175.611 176.300 -0.218 0.000 1.163 168 D CA 0.490 54.455 54.000 -0.059 0.000 0.945 168 D CB 0.985 41.785 40.800 0.001 0.000 1.152 168 D HN 0.089 nan 8.370 nan 0.000 0.451 169 F N -0.392 119.583 119.950 0.042 0.000 2.579 169 F HA 0.511 5.042 4.527 0.006 0.000 0.324 169 F C -0.126 175.721 175.800 0.078 0.000 1.058 169 F CA -0.877 57.156 58.000 0.055 0.000 0.944 169 F CB 1.226 40.259 39.000 0.055 0.000 1.245 169 F HN -0.064 nan 8.300 nan 0.000 0.477 170 L N 1.819 123.245 121.223 0.338 0.000 2.362 170 L HA 0.435 4.778 4.340 0.005 0.000 0.271 170 L C -0.835 176.263 176.870 0.379 0.000 1.002 170 L CA -1.034 53.982 54.840 0.292 0.000 0.818 170 L CB 1.836 44.066 42.059 0.285 0.000 1.298 170 L HN 0.604 nan 8.230 nan 0.000 0.420 171 D N 1.345 121.868 120.400 0.205 0.000 2.466 171 D HA 0.206 4.849 4.640 0.005 0.000 0.262 171 D C 0.794 176.938 176.300 -0.260 0.000 1.177 171 D CA -0.593 53.451 54.000 0.073 0.000 1.035 171 D CB 0.818 41.613 40.800 -0.008 0.000 1.105 171 D HN 0.334 nan 8.370 nan 0.000 0.551 172 R N -0.610 119.469 120.500 -0.701 0.000 2.170 172 R HA -0.104 4.239 4.340 0.005 0.000 0.242 172 R C 0.828 176.802 176.300 -0.544 0.000 1.145 172 R CA 1.490 56.861 56.100 -1.214 0.000 0.984 172 R CB -0.158 29.534 30.300 -1.014 0.000 0.869 172 R HN 0.529 nan 8.270 nan 0.000 0.455 173 D N -1.280 118.951 120.400 -0.283 0.000 2.347 173 D HA 0.034 4.677 4.640 0.005 0.000 0.213 173 D C 1.217 177.482 176.300 -0.058 0.000 0.985 173 D CA 1.081 54.997 54.000 -0.140 0.000 0.879 173 D CB 0.664 41.405 40.800 -0.099 0.000 0.919 173 D HN 0.461 nan 8.370 nan 0.000 0.526 174 G N 1.440 110.226 108.800 -0.022 0.000 2.176 174 G HA2 -0.254 3.709 3.960 0.005 0.000 0.232 174 G HA3 -0.254 3.709 3.960 0.005 0.000 0.232 174 G C 0.611 175.538 174.900 0.045 0.000 0.986 174 G CA 0.379 45.507 45.100 0.046 0.000 0.643 174 G HN 0.425 nan 8.290 nan 0.000 0.522 175 T N -0.342 114.228 114.554 0.026 0.000 2.851 175 T HA 0.618 4.971 4.350 0.005 0.000 0.298 175 T C 0.545 175.281 174.700 0.061 0.000 0.977 175 T CA -0.302 61.817 62.100 0.031 0.000 1.126 175 T CB 1.239 70.115 68.868 0.013 0.000 0.916 175 T HN 0.512 nan 8.240 nan 0.000 0.529 176 R N 2.360 122.896 120.500 0.061 0.000 2.441 176 R HA 0.611 4.953 4.340 0.005 0.000 0.284 176 R C -0.319 176.033 176.300 0.087 0.000 1.070 176 R CA -0.663 55.486 56.100 0.081 0.000 1.047 176 R CB 0.732 31.068 30.300 0.059 0.000 1.016 176 R HN 0.602 nan 8.270 nan 0.000 0.477 177 L N 1.752 123.052 121.223 0.129 0.000 2.370 177 L HA 0.326 4.669 4.340 0.005 0.000 0.266 177 L C -0.290 176.676 176.870 0.160 0.000 1.002 177 L CA -1.326 53.591 54.840 0.128 0.000 0.818 177 L CB 1.916 44.058 42.059 0.138 0.000 1.325 177 L HN 0.676 nan 8.230 nan 0.000 0.418 178 D N 1.053 121.527 120.400 0.123 0.000 2.360 178 D HA 0.100 4.743 4.640 0.005 0.000 0.242 178 D C 1.223 177.645 176.300 0.204 0.000 1.184 178 D CA -0.026 54.049 54.000 0.124 0.000 0.930 178 D CB 0.967 41.814 40.800 0.080 0.000 1.161 178 D HN 0.581 nan 8.370 nan 0.000 0.447 179 G N 0.182 109.098 108.800 0.195 0.000 2.553 179 G HA2 -0.289 3.674 3.960 0.005 0.000 0.218 179 G HA3 -0.289 3.674 3.960 0.005 0.000 0.218 179 G C 1.511 176.554 174.900 0.240 0.000 1.195 179 G CA 2.041 47.314 45.100 0.289 0.000 0.779 179 G HN 0.728 nan 8.290 nan 0.000 0.577 180 A N 0.671 123.569 122.820 0.129 0.000 1.892 180 A HA -0.113 4.210 4.320 0.005 0.000 0.218 180 A C 2.229 179.838 177.584 0.042 0.000 1.188 180 A CA 2.437 54.518 52.037 0.075 0.000 0.631 180 A CB -0.550 18.481 19.000 0.052 0.000 0.822 180 A HN 0.433 nan 8.150 nan 0.000 0.447 181 E N 0.032 120.262 120.200 0.049 0.000 2.110 181 E HA -0.056 4.297 4.350 0.005 0.000 0.193 181 E C 1.964 178.538 176.600 -0.043 0.000 0.988 181 E CA 1.596 58.005 56.400 0.015 0.000 0.804 181 E CB -0.839 28.882 29.700 0.036 0.000 0.745 181 E HN 0.419 nan 8.360 nan 0.000 0.458 182 G N 0.674 109.443 108.800 -0.052 0.000 2.421 182 G HA2 -0.216 3.747 3.960 0.005 0.000 0.216 182 G HA3 -0.216 3.747 3.960 0.005 0.000 0.216 182 G C 1.609 176.186 174.900 -0.538 0.000 1.171 182 G CA 0.927 45.778 45.100 -0.414 0.000 0.775 182 G HN 0.311 nan 8.290 nan 0.000 0.543 183 L N -0.134 120.895 121.223 -0.322 0.000 2.046 183 L HA -0.056 4.287 4.340 0.005 0.000 0.208 183 L C 2.912 179.699 176.870 -0.138 0.000 1.077 183 L CA 1.367 56.085 54.840 -0.203 0.000 0.747 183 L CB -0.453 41.581 42.059 -0.042 0.000 0.896 183 L HN 0.216 nan 8.230 nan 0.000 0.432 184 R N 0.609 121.051 120.500 -0.096 0.000 2.075 184 R HA -0.200 4.143 4.340 0.005 0.000 0.230 184 R C 2.555 178.810 176.300 -0.075 0.000 1.140 184 R CA 1.743 57.805 56.100 -0.063 0.000 0.928 184 R CB -0.249 30.029 30.300 -0.037 0.000 0.834 184 R HN 0.149 nan 8.270 nan 0.000 0.429 185 R N -0.548 119.900 120.500 -0.086 0.000 2.091 185 R HA -0.109 4.234 4.340 0.005 0.000 0.238 185 R C 1.898 178.147 176.300 -0.086 0.000 1.136 185 R CA 1.921 57.976 56.100 -0.075 0.000 0.959 185 R CB -0.559 29.700 30.300 -0.069 0.000 0.856 185 R HN 0.457 nan 8.270 nan 0.000 0.437 186 G N -0.472 108.244 108.800 -0.140 0.000 2.985 186 G HA2 -0.037 3.926 3.960 0.005 0.000 0.209 186 G HA3 -0.037 3.926 3.960 0.005 0.000 0.209 186 G C -0.218 174.625 174.900 -0.096 0.000 1.165 186 G CA -0.238 44.788 45.100 -0.123 0.000 0.776 186 G HN 0.354 nan 8.290 nan 0.000 0.541 187 R N -1.060 119.388 120.500 -0.086 0.000 3.264 187 R HA -0.136 4.207 4.340 0.005 0.000 0.251 187 R C -0.696 175.568 176.300 -0.059 0.000 0.971 187 R CA 0.305 56.370 56.100 -0.059 0.000 0.658 187 R CB -2.192 28.085 30.300 -0.039 0.000 1.095 187 R HN 0.338 nan 8.270 nan 0.000 0.443 188 L N 0.797 121.972 121.223 -0.081 0.000 2.325 188 L HA 0.356 4.699 4.340 0.005 0.000 0.278 188 L C 0.722 177.575 176.870 -0.027 0.000 1.023 188 L CA -0.751 54.053 54.840 -0.060 0.000 0.811 188 L CB 1.766 43.767 42.059 -0.096 0.000 1.249 188 L HN 0.113 nan 8.230 nan 0.000 0.431 189 Q N 3.628 123.424 119.800 -0.006 0.000 2.243 189 Q HA 0.326 4.668 4.340 0.005 0.000 0.252 189 Q C -2.233 173.782 176.000 0.026 0.000 0.909 189 Q CA -1.917 53.890 55.803 0.007 0.000 0.922 189 Q CB 1.338 30.080 28.738 0.006 0.000 1.215 189 Q HN 0.330 nan 8.270 nan 0.000 0.427 190 P HA -0.087 nan 4.420 nan 0.000 0.264 190 P C -0.585 176.739 177.300 0.039 0.000 1.193 190 P CA -0.249 62.880 63.100 0.047 0.000 0.763 190 P CB 0.510 32.235 31.700 0.042 0.000 0.810 191 L N 3.349 124.598 121.223 0.043 0.000 2.499 191 L HA 0.117 4.460 4.340 0.005 0.000 0.273 191 L C 0.038 176.924 176.870 0.026 0.000 1.195 191 L CA 0.712 55.570 54.840 0.029 0.000 0.882 191 L CB -0.516 41.557 42.059 0.024 0.000 1.133 191 L HN 0.339 nan 8.230 nan 0.000 0.483 192 D N 4.267 124.685 120.400 0.030 0.000 2.471 192 D HA 0.264 4.907 4.640 0.005 0.000 0.245 192 D C -0.137 176.201 176.300 0.063 0.000 1.116 192 D CA -0.210 53.816 54.000 0.044 0.000 0.853 192 D CB 0.675 41.510 40.800 0.059 0.000 1.123 192 D HN 0.587 nan 8.370 nan 0.000 0.540 193 L N 3.187 124.439 121.223 0.049 0.000 2.783 193 L HA 0.130 4.473 4.340 0.005 0.000 0.236 193 L C 1.862 178.778 176.870 0.076 0.000 1.225 193 L CA -0.142 54.733 54.840 0.058 0.000 1.026 193 L CB -0.250 41.821 42.059 0.019 0.000 1.314 193 L HN 0.417 nan 8.230 nan 0.000 0.489 194 S N -1.946 113.808 115.700 0.090 0.000 2.419 194 S HA -0.224 4.249 4.470 0.005 0.000 0.235 194 S C 1.501 176.084 174.600 -0.029 0.000 1.019 194 S CA 1.019 59.227 58.200 0.014 0.000 0.982 194 S CB -0.460 62.719 63.200 -0.036 0.000 0.789 194 S HN 0.526 nan 8.310 nan 0.000 0.490 195 H N 1.609 120.673 119.070 -0.011 0.000 2.556 195 H HA 0.331 4.890 4.556 0.005 0.000 0.268 195 H C 0.629 175.949 175.328 -0.015 0.000 0.996 195 H CA 0.549 56.587 56.048 -0.016 0.000 1.157 195 H CB -0.193 29.556 29.762 -0.021 0.000 1.355 195 H HN 0.388 nan 8.280 nan 0.000 0.597 196 R N 0.773 121.327 120.500 0.090 0.000 3.532 196 R HA -0.129 4.214 4.340 0.005 0.000 0.284 196 R C -0.782 175.564 176.300 0.076 0.000 1.140 196 R CA 0.824 56.962 56.100 0.064 0.000 0.768 196 R CB -1.872 28.452 30.300 0.040 0.000 1.252 196 R HN 0.527 nan 8.270 nan 0.000 0.454 197 D N -0.972 119.476 120.400 0.080 0.000 2.615 197 D HA 0.241 4.884 4.640 0.005 0.000 0.236 197 D C 1.215 177.552 176.300 0.061 0.000 1.233 197 D CA 0.300 54.343 54.000 0.070 0.000 0.829 197 D CB 0.361 41.186 40.800 0.042 0.000 1.024 197 D HN 0.290 nan 8.370 nan 0.000 0.490 198 A N 0.343 123.197 122.820 0.056 0.000 1.972 198 A HA -0.107 4.216 4.320 0.005 0.000 0.219 198 A C 1.899 179.501 177.584 0.031 0.000 1.169 198 A CA 0.732 52.784 52.037 0.024 0.000 0.635 198 A CB -0.475 18.528 19.000 0.005 0.000 0.810 198 A HN 0.290 nan 8.150 nan 0.000 0.446 199 L N -0.744 120.531 121.223 0.086 0.000 2.549 199 L HA 0.009 4.352 4.340 0.005 0.000 0.229 199 L C 2.582 179.508 176.870 0.094 0.000 1.158 199 L CA 1.215 56.119 54.840 0.107 0.000 0.842 199 L CB -0.477 41.699 42.059 0.195 0.000 0.952 199 L HN 0.394 nan 8.230 nan 0.000 0.452 200 A N -1.521 121.349 122.820 0.084 0.000 2.123 200 A HA 0.066 4.388 4.320 0.005 0.000 0.214 200 A C 2.086 179.688 177.584 0.030 0.000 1.152 200 A CA 0.858 52.936 52.037 0.070 0.000 0.728 200 A CB -0.173 18.868 19.000 0.067 0.000 0.814 200 A HN 0.385 nan 8.150 nan 0.000 0.464 201 L N -1.150 120.079 121.223 0.011 0.000 2.388 201 L HA 0.135 4.478 4.340 0.005 0.000 0.209 201 L C 0.058 176.910 176.870 -0.031 0.000 1.061 201 L CA 0.261 55.093 54.840 -0.014 0.000 0.834 201 L CB 0.306 42.349 42.059 -0.026 0.000 1.029 201 L HN 0.034 nan 8.230 nan 0.000 0.473 202 V N 2.151 122.039 119.914 -0.042 0.000 2.247 202 V HA 0.374 4.497 4.120 0.005 0.000 0.262 202 V C -0.481 175.590 176.094 -0.039 0.000 1.096 202 V CA -0.185 62.070 62.300 -0.074 0.000 0.895 202 V CB -0.164 31.572 31.823 -0.146 0.000 1.141 202 V HN 0.340 nan 8.190 nan 0.000 0.478 203 N N 2.153 120.843 118.700 -0.017 0.000 3.545 203 N HA 0.483 5.226 4.740 0.005 0.000 0.227 203 N C -0.131 175.400 175.510 0.035 0.000 1.380 203 N CA 0.596 53.657 53.050 0.019 0.000 0.892 203 N CB 2.157 40.676 38.487 0.054 0.000 1.441 203 N HN 0.789 nan 8.380 nan 0.000 0.497 204 G N -0.009 108.844 108.800 0.088 0.000 2.698 204 G HA2 -0.229 3.734 3.960 0.005 0.000 0.233 204 G HA3 -0.229 3.734 3.960 0.005 0.000 0.233 204 G C 0.159 175.102 174.900 0.073 0.000 1.352 204 G CA 0.458 45.614 45.100 0.093 0.000 0.879 204 G HN 1.263 nan 8.290 nan 0.000 0.567 205 T N -3.045 111.538 114.554 0.049 0.000 3.269 205 T HA 0.577 4.930 4.350 0.005 0.000 0.269 205 T C 1.774 176.479 174.700 0.008 0.000 0.993 205 T CA 0.942 63.062 62.100 0.034 0.000 0.909 205 T CB 0.464 69.352 68.868 0.032 0.000 1.115 205 T HN 0.839 nan 8.240 nan 0.000 0.543 206 S N 1.677 117.377 115.700 0.001 0.000 2.370 206 S HA -0.070 4.403 4.470 0.005 0.000 0.226 206 S C 2.467 177.057 174.600 -0.016 0.000 1.033 206 S CA 1.297 59.489 58.200 -0.014 0.000 1.011 206 S CB -0.572 62.616 63.200 -0.020 0.000 0.852 206 S HN 0.834 nan 8.310 nan 0.000 0.457 207 A N 2.643 125.457 122.820 -0.010 0.000 1.855 207 A HA -0.078 4.245 4.320 0.005 0.000 0.215 207 A C 2.281 179.866 177.584 0.002 0.000 1.191 207 A CA 1.736 53.768 52.037 -0.008 0.000 0.613 207 A CB -0.790 18.206 19.000 -0.006 0.000 0.829 207 A HN 0.656 nan 8.150 nan 0.000 0.442 208 M N -1.524 118.082 119.600 0.010 0.000 2.159 208 M HA -0.088 4.395 4.480 0.005 0.000 0.263 208 M C 1.825 178.133 176.300 0.013 0.000 1.063 208 M CA 2.316 57.627 55.300 0.018 0.000 1.110 208 M CB -1.352 31.262 32.600 0.023 0.000 1.374 208 M HN 0.158 nan 8.290 nan 0.000 0.411 209 T N 1.181 115.734 114.554 -0.003 0.000 2.777 209 T HA -0.006 4.347 4.350 0.005 0.000 0.266 209 T C 1.971 176.669 174.700 -0.005 0.000 1.040 209 T CA 1.678 63.768 62.100 -0.017 0.000 1.141 209 T CB -0.766 68.083 68.868 -0.031 0.000 0.868 209 T HN 0.722 nan 8.240 nan 0.000 0.444 210 G N 1.305 110.101 108.800 -0.007 0.000 2.421 210 G HA2 -0.131 3.832 3.960 0.005 0.000 0.216 210 G HA3 -0.131 3.832 3.960 0.005 0.000 0.216 210 G C 1.522 176.435 174.900 0.022 0.000 1.171 210 G CA 0.517 45.613 45.100 -0.007 0.000 0.775 210 G HN 0.488 nan 8.290 nan 0.000 0.543 211 I N 1.456 122.044 120.570 0.030 0.000 2.226 211 I HA -0.161 4.012 4.170 0.005 0.000 0.245 211 I C 3.252 179.421 176.117 0.087 0.000 1.100 211 I CA 1.029 62.361 61.300 0.054 0.000 1.374 211 I CB -0.167 37.861 38.000 0.047 0.000 1.057 211 I HN 0.234 nan 8.210 nan 0.000 0.413 212 A N 1.167 124.042 122.820 0.091 0.000 1.969 212 A HA -0.157 4.166 4.320 0.005 0.000 0.218 212 A C 2.247 179.939 177.584 0.181 0.000 1.169 212 A CA 1.698 53.830 52.037 0.158 0.000 0.635 212 A CB -0.770 18.299 19.000 0.115 0.000 0.810 212 A HN 0.513 nan 8.150 nan 0.000 0.445 213 L N -1.974 119.318 121.223 0.115 0.000 2.156 213 L HA 0.013 4.356 4.340 0.005 0.000 0.208 213 L C 1.975 178.955 176.870 0.183 0.000 1.095 213 L CA 1.605 56.522 54.840 0.127 0.000 0.770 213 L CB -1.081 41.021 42.059 0.073 0.000 0.914 213 L HN -0.001 nan 8.230 nan 0.000 0.439 214 V N 0.904 120.926 119.914 0.180 0.000 2.453 214 V HA -0.174 3.949 4.120 0.005 0.000 0.247 214 V C 2.479 178.687 176.094 0.190 0.000 1.048 214 V CA 1.736 64.177 62.300 0.234 0.000 1.049 214 V CB -0.970 30.962 31.823 0.181 0.000 0.672 214 V HN 0.507 nan 8.190 nan 0.000 0.457 215 N N 0.860 119.648 118.700 0.147 0.000 2.120 215 N HA -0.132 4.611 4.740 0.005 0.000 0.188 215 N C 1.912 177.466 175.510 0.074 0.000 1.024 215 N CA 1.719 54.831 53.050 0.104 0.000 0.852 215 N CB -0.569 37.962 38.487 0.075 0.000 1.003 215 N HN 0.479 nan 8.380 nan 0.000 0.424 216 A N 0.275 123.163 122.820 0.114 0.000 1.902 216 A HA -0.213 4.110 4.320 0.005 0.000 0.217 216 A C 2.123 179.722 177.584 0.026 0.000 1.181 216 A CA 1.892 53.981 52.037 0.086 0.000 0.623 216 A CB -0.954 18.159 19.000 0.189 0.000 0.818 216 A HN 0.460 nan 8.150 nan 0.000 0.443 217 H N -0.278 118.750 119.070 -0.069 0.000 2.357 217 H HA 0.075 4.634 4.556 0.004 0.000 0.301 217 H C 2.203 177.442 175.328 -0.147 0.000 1.082 217 H CA 1.869 57.787 56.048 -0.216 0.000 1.342 217 H CB -0.218 29.248 29.762 -0.493 0.000 1.389 217 H HN 0.397 nan 8.280 nan 0.000 0.511 218 A N -0.397 122.445 122.820 0.037 0.000 1.902 218 A HA -0.173 4.150 4.320 0.005 0.000 0.217 218 A C 2.686 180.264 177.584 -0.009 0.000 1.181 218 A CA 1.448 53.518 52.037 0.056 0.000 0.623 218 A CB -1.195 17.869 19.000 0.106 0.000 0.818 218 A HN 0.643 nan 8.150 nan 0.000 0.443 219 C N -1.295 118.013 119.300 0.013 0.000 2.422 219 C HA -0.031 4.432 4.460 0.005 0.000 0.279 219 C C 2.781 177.753 174.990 -0.031 0.000 1.305 219 C CA 1.123 60.191 59.018 0.084 0.000 1.757 219 C CB -1.319 26.496 27.740 0.125 0.000 1.962 219 C HN 0.729 nan 8.230 nan 0.000 0.499 220 R N -0.076 120.304 120.500 -0.200 0.000 2.073 220 R HA -0.136 4.207 4.340 0.005 0.000 0.234 220 R C 2.241 178.332 176.300 -0.348 0.000 1.134 220 R CA 1.585 57.481 56.100 -0.339 0.000 0.952 220 R CB -0.415 29.580 30.300 -0.509 0.000 0.850 220 R HN 0.605 nan 8.270 nan 0.000 0.433 221 H N 0.487 119.428 119.070 -0.216 0.000 2.357 221 H HA -0.083 4.476 4.556 0.005 0.000 0.301 221 H C 2.186 177.502 175.328 -0.019 0.000 1.082 221 H CA 1.571 57.538 56.048 -0.134 0.000 1.342 221 H CB -0.178 29.511 29.762 -0.122 0.000 1.389 221 H HN 0.249 nan 8.280 nan 0.000 0.511 222 L N -0.207 120.991 121.223 -0.041 0.000 2.083 222 L HA -0.077 4.266 4.340 0.005 0.000 0.209 222 L C 2.759 179.487 176.870 -0.237 0.000 1.083 222 L CA 1.056 55.691 54.840 -0.341 0.000 0.752 222 L CB -0.796 40.678 42.059 -0.975 0.000 0.899 222 L HN 0.299 nan 8.230 nan 0.000 0.433 223 G N -0.023 108.767 108.800 -0.016 0.000 2.422 223 G HA2 -0.261 3.702 3.960 0.005 0.000 0.218 223 G HA3 -0.261 3.702 3.960 0.005 0.000 0.218 223 G C 1.397 176.378 174.900 0.135 0.000 1.146 223 G CA 0.581 45.832 45.100 0.252 0.000 0.769 223 G HN 0.316 nan 8.290 nan 0.000 0.547 224 N N 0.112 118.788 118.700 -0.040 0.000 2.188 224 N HA -0.085 4.657 4.740 0.005 0.000 0.184 224 N C 1.850 177.283 175.510 -0.128 0.000 1.018 224 N CA 0.870 53.845 53.050 -0.125 0.000 0.858 224 N CB -0.358 37.991 38.487 -0.231 0.000 0.989 224 N HN 0.586 nan 8.380 nan 0.000 0.426 225 W N 1.651 122.908 121.300 -0.071 0.000 2.381 225 W HA 0.035 4.698 4.660 0.005 0.000 0.301 225 W C 2.509 179.008 176.519 -0.032 0.000 1.205 225 W CA 1.203 58.504 57.345 -0.073 0.000 1.285 225 W CB -0.446 28.927 29.460 -0.145 0.000 1.133 225 W HN 0.032 nan 8.180 nan 0.000 0.521 226 A N -0.131 122.819 122.820 0.216 0.000 1.940 226 A HA -0.192 4.131 4.320 0.005 0.000 0.219 226 A C 1.986 179.665 177.584 0.157 0.000 1.176 226 A CA 2.227 54.403 52.037 0.232 0.000 0.631 226 A CB -1.093 18.140 19.000 0.387 0.000 0.814 226 A HN 0.114 nan 8.150 nan 0.000 0.446 227 V N -0.425 119.566 119.914 0.128 0.000 2.323 227 V HA -0.179 3.944 4.120 0.005 0.000 0.244 227 V C 3.062 179.148 176.094 -0.013 0.000 1.041 227 V CA 1.824 64.143 62.300 0.032 0.000 1.025 227 V CB -1.202 30.643 31.823 0.037 0.000 0.656 227 V HN 0.610 nan 8.190 nan 0.000 0.451 228 A N -0.209 122.597 122.820 -0.022 0.000 1.908 228 A HA -0.153 4.170 4.320 0.005 0.000 0.218 228 A C 2.187 179.801 177.584 0.051 0.000 1.181 228 A CA 1.789 53.804 52.037 -0.037 0.000 0.627 228 A CB -0.525 18.376 19.000 -0.165 0.000 0.818 228 A HN 0.515 nan 8.150 nan 0.000 0.445 229 L N -1.140 120.152 121.223 0.115 0.000 2.156 229 L HA -0.095 4.248 4.340 0.005 0.000 0.208 229 L C 2.658 179.595 176.870 0.113 0.000 1.095 229 L CA 1.481 56.402 54.840 0.134 0.000 0.770 229 L CB -0.846 41.311 42.059 0.164 0.000 0.914 229 L HN 0.311 nan 8.230 nan 0.000 0.439 230 T N 0.154 114.767 114.554 0.098 0.000 2.777 230 T HA -0.124 4.228 4.350 0.005 0.000 0.266 230 T C 2.057 176.871 174.700 0.190 0.000 1.040 230 T CA 1.306 63.476 62.100 0.116 0.000 1.141 230 T CB -0.110 68.779 68.868 0.035 0.000 0.868 230 T HN 0.427 nan 8.240 nan 0.000 0.444 231 A N 1.248 124.142 122.820 0.123 0.000 1.902 231 A HA -0.003 4.320 4.320 0.005 0.000 0.217 231 A C 2.205 179.910 177.584 0.202 0.000 1.181 231 A CA 1.191 53.360 52.037 0.220 0.000 0.623 231 A CB -0.789 18.273 19.000 0.102 0.000 0.818 231 A HN 0.398 nan 8.150 nan 0.000 0.443 232 L N -0.780 120.521 121.223 0.130 0.000 2.141 232 L HA -0.067 4.276 4.340 0.005 0.000 0.209 232 L C 2.205 179.135 176.870 0.100 0.000 1.094 232 L CA 1.731 56.632 54.840 0.102 0.000 0.763 232 L CB -0.632 41.478 42.059 0.085 0.000 0.908 232 L HN 0.384 nan 8.230 nan 0.000 0.437 233 L N -0.188 121.104 121.223 0.116 0.000 2.046 233 L HA -0.112 4.231 4.340 0.005 0.000 0.208 233 L C 2.476 179.407 176.870 0.101 0.000 1.077 233 L CA 2.049 56.948 54.840 0.099 0.000 0.747 233 L CB -0.940 41.187 42.059 0.113 0.000 0.896 233 L HN 0.254 nan 8.230 nan 0.000 0.432 234 A N -0.912 122.002 122.820 0.157 0.000 1.972 234 A HA -0.199 4.124 4.320 0.005 0.000 0.219 234 A C 2.128 179.740 177.584 0.046 0.000 1.169 234 A CA 1.744 53.838 52.037 0.095 0.000 0.635 234 A CB -0.578 18.498 19.000 0.128 0.000 0.810 234 A HN 0.642 nan 8.150 nan 0.000 0.446 235 E N -1.163 119.080 120.200 0.072 0.000 2.347 235 E HA -0.095 4.258 4.350 0.005 0.000 0.196 235 E C 1.518 178.136 176.600 0.031 0.000 1.008 235 E CA 0.846 57.274 56.400 0.046 0.000 0.852 235 E CB -0.197 29.537 29.700 0.057 0.000 0.783 235 E HN 0.682 nan 8.360 nan 0.000 0.505 236 C N 0.011 119.330 119.300 0.032 0.000 2.634 236 C HA 0.184 4.647 4.460 0.005 0.000 0.268 236 C C 1.666 176.661 174.990 0.008 0.000 1.322 236 C CA -0.035 58.993 59.018 0.018 0.000 1.737 236 C CB -0.166 27.584 27.740 0.016 0.000 1.976 236 C HN 0.308 nan 8.230 nan 0.000 0.547 237 L N 0.043 121.271 121.223 0.009 0.000 3.202 237 L HA 0.287 4.629 4.340 0.005 0.000 0.278 237 L C 0.297 177.159 176.870 -0.014 0.000 1.268 237 L CA -0.091 54.748 54.840 -0.002 0.000 1.034 237 L CB -0.267 41.795 42.059 0.004 0.000 1.407 237 L HN 0.227 nan 8.230 nan 0.000 0.581 238 R N 0.539 121.029 120.500 -0.015 0.000 3.322 238 R HA -0.158 4.185 4.340 0.005 0.000 0.253 238 R C 0.716 176.982 176.300 -0.056 0.000 0.987 238 R CA 0.460 56.543 56.100 -0.028 0.000 0.666 238 R CB -1.948 28.338 30.300 -0.024 0.000 1.072 238 R HN 0.512 nan 8.270 nan 0.000 0.447 239 G N 0.683 109.436 108.800 -0.078 0.000 2.554 239 G HA2 0.158 4.121 3.960 0.005 0.000 0.238 239 G HA3 0.158 4.121 3.960 0.005 0.000 0.238 239 G C 0.050 174.809 174.900 -0.235 0.000 1.259 239 G CA -0.518 44.488 45.100 -0.157 0.000 0.843 239 G HN 0.252 nan 8.290 nan 0.000 0.582 240 R N 0.495 120.821 120.500 -0.291 0.000 2.202 240 R HA 0.247 4.590 4.340 0.005 0.000 0.334 240 R C 1.586 177.584 176.300 -0.504 0.000 1.036 240 R CA 0.183 56.112 56.100 -0.285 0.000 0.878 240 R CB 0.955 31.145 30.300 -0.183 0.000 1.067 240 R HN 0.705 nan 8.270 nan 0.000 0.457 241 T N -1.123 113.191 114.554 -0.400 0.000 3.055 241 T HA -0.134 4.219 4.350 0.005 0.000 0.265 241 T C 1.403 175.968 174.700 -0.224 0.000 1.111 241 T CA 0.932 62.785 62.100 -0.412 0.000 1.118 241 T CB -0.030 68.747 68.868 -0.152 0.000 0.909 241 T HN 0.741 nan 8.240 nan 0.000 0.501 242 E N 1.730 121.833 120.200 -0.162 0.000 2.265 242 E HA -0.005 4.348 4.350 0.005 0.000 0.196 242 E C 2.218 178.793 176.600 -0.042 0.000 0.996 242 E CA 0.888 57.248 56.400 -0.067 0.000 0.832 242 E CB -0.557 29.116 29.700 -0.045 0.000 0.756 242 E HN 0.611 nan 8.360 nan 0.000 0.491 243 A N 0.788 123.535 122.820 -0.122 0.000 2.121 243 A HA -0.083 4.240 4.320 0.005 0.000 0.218 243 A C 0.980 178.702 177.584 0.230 0.000 1.154 243 A CA 0.644 52.676 52.037 -0.009 0.000 0.679 243 A CB -0.603 18.355 19.000 -0.071 0.000 0.795 243 A HN 0.487 nan 8.150 nan 0.000 0.458 244 W N -0.253 121.049 121.300 0.002 0.000 3.239 244 W HA 0.598 5.261 4.660 0.005 0.000 0.368 244 W C 0.815 177.337 176.519 0.004 0.000 1.154 244 W CA -1.086 56.262 57.345 0.004 0.000 1.860 244 W CB -1.327 28.138 29.460 0.009 0.000 1.094 244 W HN 0.343 nan 8.180 nan 0.000 0.643 245 A N 0.848 123.780 122.820 0.187 0.000 2.498 245 A HA 0.430 4.753 4.320 0.005 0.000 0.239 245 A C 1.678 179.315 177.584 0.089 0.000 1.068 245 A CA 0.694 52.796 52.037 0.109 0.000 0.766 245 A CB 0.580 19.617 19.000 0.062 0.000 1.003 245 A HN 0.254 nan 8.150 nan 0.000 0.497 246 A N 2.524 125.384 122.820 0.067 0.000 1.972 246 A HA 0.122 4.445 4.320 0.005 0.000 0.219 246 A C 2.334 179.939 177.584 0.035 0.000 1.169 246 A CA 2.198 54.264 52.037 0.048 0.000 0.635 246 A CB -0.883 18.139 19.000 0.037 0.000 0.810 246 A HN 1.729 nan 8.150 nan 0.000 0.446 247 A N -0.322 122.517 122.820 0.031 0.000 1.978 247 A HA -0.060 4.263 4.320 0.005 0.000 0.220 247 A C 2.139 179.735 177.584 0.020 0.000 1.170 247 A CA 1.468 53.518 52.037 0.021 0.000 0.636 247 A CB -0.504 18.506 19.000 0.017 0.000 0.810 247 A HN 0.490 nan 8.150 nan 0.000 0.448 248 L N -0.666 120.576 121.223 0.031 0.000 2.093 248 L HA -0.135 4.208 4.340 0.005 0.000 0.208 248 L C 2.834 179.719 176.870 0.025 0.000 1.085 248 L CA 1.372 56.230 54.840 0.030 0.000 0.755 248 L CB -0.366 41.721 42.059 0.047 0.000 0.904 248 L HN 0.350 nan 8.230 nan 0.000 0.435 249 S N -0.280 115.440 115.700 0.032 0.000 2.368 249 S HA -0.188 4.285 4.470 0.005 0.000 0.225 249 S C 1.482 176.086 174.600 0.006 0.000 1.030 249 S CA 1.354 59.570 58.200 0.026 0.000 0.999 249 S CB -0.291 62.928 63.200 0.032 0.000 0.844 249 S HN 0.448 nan 8.310 nan 0.000 0.459 250 D N 1.490 121.893 120.400 0.005 0.000 2.178 250 D HA -0.044 4.599 4.640 0.005 0.000 0.201 250 D C 1.755 178.043 176.300 -0.020 0.000 0.980 250 D CA 0.731 54.727 54.000 -0.007 0.000 0.842 250 D CB -0.302 40.497 40.800 -0.002 0.000 0.948 250 D HN 0.337 nan 8.370 nan 0.000 0.472 251 L N -0.522 120.692 121.223 -0.015 0.000 2.291 251 L HA -0.011 4.332 4.340 0.005 0.000 0.214 251 L C 1.618 178.463 176.870 -0.042 0.000 1.120 251 L CA 0.597 55.423 54.840 -0.022 0.000 0.799 251 L CB 0.094 42.146 42.059 -0.011 0.000 0.925 251 L HN -0.163 nan 8.230 nan 0.000 0.446 252 R N 0.728 121.199 120.500 -0.048 0.000 2.644 252 R HA 0.189 4.532 4.340 0.005 0.000 0.271 252 R C -2.227 173.995 176.300 -0.130 0.000 1.687 252 R CA -1.389 54.656 56.100 -0.093 0.000 1.655 252 R CB 0.875 31.162 30.300 -0.022 0.000 1.285 252 R HN -0.141 nan 8.270 nan 0.000 0.643 253 P HA -0.075 nan 4.420 nan 0.000 0.272 253 P C -0.689 176.533 177.300 -0.131 0.000 1.542 253 P CA 0.247 63.277 63.100 -0.117 0.000 0.846 253 P CB -0.353 31.293 31.700 -0.090 0.000 1.782 254 H N 0.862 119.931 119.070 -0.000 0.000 2.722 254 H HA 0.103 4.662 4.556 0.005 0.000 0.328 254 H C -1.342 173.997 175.328 0.018 0.000 1.067 254 H CA -1.564 54.486 56.048 0.004 0.000 1.447 254 H CB 0.581 30.339 29.762 -0.006 0.000 1.469 254 H HN 0.090 nan 8.280 nan 0.000 0.544 255 P HA -0.153 nan 4.420 nan 0.000 0.215 255 P C 1.646 179.022 177.300 0.125 0.000 1.157 255 P CA 1.694 64.857 63.100 0.105 0.000 0.874 255 P CB 0.091 31.847 31.700 0.093 0.000 0.790 256 G N -0.442 108.450 108.800 0.153 0.000 2.442 256 G HA2 -0.308 3.655 3.960 0.005 0.000 0.219 256 G HA3 -0.308 3.655 3.960 0.005 0.000 0.219 256 G C 1.677 176.669 174.900 0.153 0.000 1.141 256 G CA 0.743 45.964 45.100 0.202 0.000 0.763 256 G HN 0.328 nan 8.290 nan 0.000 0.554 257 Q N 0.106 119.964 119.800 0.095 0.000 2.049 257 Q HA -0.055 4.288 4.340 0.005 0.000 0.198 257 Q C 2.477 178.506 176.000 0.049 0.000 0.971 257 Q CA 1.507 57.336 55.803 0.043 0.000 0.833 257 Q CB -0.209 28.573 28.738 0.073 0.000 0.896 257 Q HN 0.505 nan 8.270 nan 0.000 0.434 258 K N 0.184 120.624 120.400 0.067 0.000 2.063 258 K HA -0.238 4.085 4.320 0.005 0.000 0.208 258 K C 1.646 178.276 176.600 0.050 0.000 1.048 258 K CA 1.918 58.234 56.287 0.049 0.000 0.928 258 K CB -0.177 32.350 32.500 0.044 0.000 0.713 258 K HN 0.205 nan 8.250 nan 0.000 0.442 259 D N -0.142 120.306 120.400 0.079 0.000 2.097 259 D HA -0.106 4.537 4.640 0.005 0.000 0.197 259 D C 1.732 178.094 176.300 0.102 0.000 0.984 259 D CA 1.563 55.614 54.000 0.085 0.000 0.826 259 D CB -0.081 40.785 40.800 0.110 0.000 0.973 259 D HN 0.327 nan 8.370 nan 0.000 0.460 260 A N 0.601 123.515 122.820 0.156 0.000 1.883 260 A HA -0.006 4.317 4.320 0.005 0.000 0.217 260 A C 2.407 179.946 177.584 -0.076 0.000 1.186 260 A CA 2.449 54.548 52.037 0.103 0.000 0.624 260 A CB -1.229 17.734 19.000 -0.062 0.000 0.822 260 A HN 0.333 nan 8.150 nan 0.000 0.444 261 A N -0.194 122.576 122.820 -0.084 0.000 1.908 261 A HA 0.125 4.448 4.320 0.005 0.000 0.218 261 A C 2.524 180.077 177.584 -0.051 0.000 1.181 261 A CA 2.281 54.253 52.037 -0.109 0.000 0.627 261 A CB -1.075 17.921 19.000 -0.008 0.000 0.818 261 A HN 1.117 nan 8.150 nan 0.000 0.445 262 A N -0.328 122.486 122.820 -0.009 0.000 1.902 262 A HA -0.163 4.159 4.320 0.005 0.000 0.217 262 A C 2.239 179.815 177.584 -0.013 0.000 1.181 262 A CA 1.643 53.683 52.037 0.005 0.000 0.623 262 A CB -0.428 18.579 19.000 0.011 0.000 0.818 262 A HN 0.551 nan 8.150 nan 0.000 0.443 263 R N -0.696 119.786 120.500 -0.031 0.000 2.092 263 R HA 0.055 4.398 4.340 0.005 0.000 0.231 263 R C 2.009 178.260 176.300 -0.082 0.000 1.119 263 R CA 1.170 57.243 56.100 -0.045 0.000 0.970 263 R CB -0.412 29.870 30.300 -0.030 0.000 0.864 263 R HN 0.501 nan 8.270 nan 0.000 0.440 264 L N 0.151 121.271 121.223 -0.172 0.000 2.027 264 L HA -0.154 4.189 4.340 0.005 0.000 0.206 264 L C 2.527 179.376 176.870 -0.034 0.000 1.074 264 L CA 1.387 56.043 54.840 -0.306 0.000 0.745 264 L CB -0.323 41.184 42.059 -0.919 0.000 0.898 264 L HN 0.133 nan 8.230 nan 0.000 0.433 265 R N -0.125 120.410 120.500 0.059 0.000 2.091 265 R HA -0.174 4.169 4.340 0.005 0.000 0.238 265 R C 2.380 178.737 176.300 0.095 0.000 1.136 265 R CA 1.432 57.629 56.100 0.160 0.000 0.959 265 R CB -0.562 29.815 30.300 0.127 0.000 0.856 265 R HN 0.374 nan 8.270 nan 0.000 0.437 266 A N 1.261 124.106 122.820 0.041 0.000 1.902 266 A HA -0.140 4.183 4.320 0.005 0.000 0.217 266 A C 2.058 179.655 177.584 0.023 0.000 1.181 266 A CA 1.055 53.105 52.037 0.022 0.000 0.623 266 A CB -0.257 18.742 19.000 -0.003 0.000 0.818 266 A HN 0.104 nan 8.150 nan 0.000 0.443 267 R N -0.196 120.314 120.500 0.018 0.000 2.096 267 R HA -0.113 4.230 4.340 0.005 0.000 0.235 267 R C 1.901 178.237 176.300 0.060 0.000 1.127 267 R CA 1.753 57.865 56.100 0.019 0.000 0.968 267 R CB -1.290 29.011 30.300 0.002 0.000 0.861 267 R HN 0.674 nan 8.270 nan 0.000 0.440 268 V N -0.804 119.177 119.914 0.111 0.000 3.596 268 V HA 0.116 4.238 4.120 0.005 0.000 0.289 268 V C 0.172 176.314 176.094 0.081 0.000 1.336 268 V CA -0.590 61.782 62.300 0.120 0.000 1.137 268 V CB -0.480 31.460 31.823 0.195 0.000 0.966 268 V HN -0.088 nan 8.190 nan 0.000 0.428 269 D N 1.560 121.998 120.400 0.063 0.000 2.450 269 D HA 0.410 5.053 4.640 0.005 0.000 0.247 269 D C 1.434 177.753 176.300 0.031 0.000 1.162 269 D CA 1.896 55.921 54.000 0.042 0.000 0.879 269 D CB 0.504 41.323 40.800 0.032 0.000 1.163 269 D HN 0.592 nan 8.370 nan 0.000 0.472 270 G N 2.422 111.236 108.800 0.024 0.000 2.175 270 G HA2 -0.250 3.713 3.960 0.005 0.000 0.244 270 G HA3 -0.250 3.713 3.960 0.005 0.000 0.244 270 G C 0.454 175.366 174.900 0.020 0.000 0.982 270 G CA 0.297 45.408 45.100 0.018 0.000 0.641 270 G HN 0.785 nan 8.290 nan 0.000 0.527 271 S N 0.110 115.826 115.700 0.027 0.000 2.565 271 S HA 0.667 5.140 4.470 0.005 0.000 0.276 271 S C 1.197 175.809 174.600 0.019 0.000 1.326 271 S CA 0.835 59.052 58.200 0.027 0.000 1.045 271 S CB 1.302 64.526 63.200 0.039 0.000 0.918 271 S HN 1.598 nan 8.310 nan 0.000 0.505 272 A N 5.154 127.986 122.820 0.019 0.000 2.470 272 A HA 0.344 4.667 4.320 0.005 0.000 0.251 272 A C 1.638 179.233 177.584 0.018 0.000 1.245 272 A CA -0.350 51.697 52.037 0.017 0.000 0.932 272 A CB 0.100 19.110 19.000 0.016 0.000 1.037 272 A HN 0.716 nan 8.150 nan 0.000 0.522 273 R N -0.177 120.334 120.500 0.018 0.000 2.290 273 R HA 0.123 4.465 4.340 0.005 0.000 0.197 273 R C 0.714 177.017 176.300 0.006 0.000 0.913 273 R CA 0.876 56.984 56.100 0.014 0.000 1.040 273 R CB -0.237 30.074 30.300 0.018 0.000 0.992 273 R HN 0.493 nan 8.270 nan 0.000 0.500 274 V N -1.494 118.421 119.914 0.002 0.000 2.973 274 V HA 0.475 4.598 4.120 0.005 0.000 0.314 274 V C 0.487 176.572 176.094 -0.014 0.000 1.066 274 V CA -0.959 61.326 62.300 -0.026 0.000 1.021 274 V CB 2.000 33.794 31.823 -0.048 0.000 1.076 274 V HN -0.266 nan 8.190 nan 0.000 0.462 275 V N 3.367 123.261 119.914 -0.032 0.000 2.364 275 V HA 0.441 4.563 4.120 0.005 0.000 0.272 275 V C 1.041 177.142 176.094 0.012 0.000 1.036 275 V CA -0.238 62.081 62.300 0.032 0.000 0.880 275 V CB 0.673 32.502 31.823 0.010 0.000 0.991 275 V HN 0.921 nan 8.190 nan 0.000 0.460 276 R N 1.726 122.248 120.500 0.038 0.000 2.362 276 R HA 0.190 4.533 4.340 0.005 0.000 0.227 276 R C -0.282 175.948 176.300 -0.116 0.000 0.905 276 R CA -0.194 55.858 56.100 -0.079 0.000 1.067 276 R CB 0.190 30.407 30.300 -0.138 0.000 1.078 276 R HN 0.738 nan 8.270 nan 0.000 0.516 277 H N -0.059 118.986 119.070 -0.042 0.000 2.683 277 H HA 0.114 4.672 4.556 0.005 0.000 0.339 277 H C -0.163 175.143 175.328 -0.036 0.000 1.081 277 H CA -0.275 55.754 56.048 -0.033 0.000 1.432 277 H CB 1.002 30.747 29.762 -0.028 0.000 1.462 277 H HN -0.224 nan 8.280 nan 0.000 0.557 278 V N 5.756 125.711 119.914 0.068 0.000 2.455 278 V HA -0.044 4.079 4.120 0.005 0.000 0.273 278 V C 1.867 177.987 176.094 0.043 0.000 1.045 278 V CA 0.060 62.379 62.300 0.032 0.000 0.976 278 V CB -0.179 31.652 31.823 0.014 0.000 0.993 278 V HN 0.831 nan 8.190 nan 0.000 0.475 279 I N 3.362 123.947 120.570 0.025 0.000 2.361 279 I HA -0.119 4.054 4.170 0.005 0.000 0.251 279 I C 2.090 178.214 176.117 0.012 0.000 1.133 279 I CA 1.900 63.209 61.300 0.015 0.000 1.413 279 I CB -0.309 37.692 38.000 0.001 0.000 1.073 279 I HN 0.564 nan 8.210 nan 0.000 0.424 280 A N 1.090 123.917 122.820 0.010 0.000 2.216 280 A HA -0.107 4.215 4.320 0.005 0.000 0.214 280 A C 2.107 179.698 177.584 0.010 0.000 1.160 280 A CA 1.212 53.254 52.037 0.008 0.000 0.725 280 A CB -0.716 18.288 19.000 0.006 0.000 0.784 280 A HN 0.656 nan 8.150 nan 0.000 0.472 281 E N -0.385 119.826 120.200 0.017 0.000 2.358 281 E HA -0.072 4.280 4.350 0.005 0.000 0.195 281 E C 1.132 177.743 176.600 0.017 0.000 1.010 281 E CA -0.071 56.341 56.400 0.019 0.000 0.856 281 E CB -0.021 29.697 29.700 0.030 0.000 0.795 281 E HN 0.530 nan 8.360 nan 0.000 0.504 282 R N 1.924 122.432 120.500 0.014 0.000 2.347 282 R HA 0.127 4.470 4.340 0.005 0.000 0.304 282 R C -0.580 175.721 176.300 0.002 0.000 1.072 282 R CA -0.109 55.994 56.100 0.006 0.000 0.980 282 R CB 0.474 30.772 30.300 -0.003 0.000 0.986 282 R HN -0.099 nan 8.270 nan 0.000 0.448 283 R N 4.950 125.451 120.500 0.001 0.000 2.229 283 R HA 0.296 4.638 4.340 0.005 0.000 0.328 283 R C -0.472 175.826 176.300 -0.003 0.000 1.009 283 R CA -0.520 55.580 56.100 -0.000 0.000 0.864 283 R CB 1.166 31.466 30.300 0.001 0.000 1.085 283 R HN 0.463 nan 8.270 nan 0.000 0.453 284 L N 2.877 124.098 121.223 -0.003 0.000 2.375 284 L HA 0.346 4.689 4.340 0.005 0.000 0.271 284 L C 0.163 177.030 176.870 -0.004 0.000 1.107 284 L CA -0.535 54.302 54.840 -0.005 0.000 0.806 284 L CB 0.873 42.929 42.059 -0.005 0.000 1.146 284 L HN 0.676 nan 8.230 nan 0.000 0.447 285 D N 0.877 121.274 120.400 -0.005 0.000 2.585 285 D HA 0.430 5.072 4.640 0.005 0.000 0.254 285 D C 0.559 176.857 176.300 -0.005 0.000 1.067 285 D CA -0.394 53.603 54.000 -0.004 0.000 1.090 285 D CB 1.326 42.123 40.800 -0.004 0.000 1.408 285 D HN 0.420 nan 8.370 nan 0.000 0.554 286 A N -0.122 122.695 122.820 -0.004 0.000 1.986 286 A HA 0.021 4.343 4.320 0.005 0.000 0.220 286 A C 1.995 179.576 177.584 -0.005 0.000 1.171 286 A CA 2.097 54.132 52.037 -0.004 0.000 0.640 286 A CB -1.562 17.436 19.000 -0.004 0.000 0.811 286 A HN 0.697 nan 8.150 nan 0.000 0.451 287 G N -1.073 107.724 108.800 -0.006 0.000 2.598 287 G HA2 -0.077 3.886 3.960 0.005 0.000 0.215 287 G HA3 -0.077 3.886 3.960 0.005 0.000 0.215 287 G C 0.870 175.765 174.900 -0.008 0.000 1.131 287 G CA 0.925 46.022 45.100 -0.006 0.000 0.785 287 G HN 0.508 nan 8.290 nan 0.000 0.539 288 D N 0.297 120.693 120.400 -0.008 0.000 2.348 288 D HA 0.033 4.676 4.640 0.005 0.000 0.211 288 D C 0.812 177.107 176.300 -0.009 0.000 0.998 288 D CA -0.063 53.931 54.000 -0.010 0.000 0.873 288 D CB 0.518 41.312 40.800 -0.010 0.000 0.925 288 D HN 0.137 nan 8.370 nan 0.000 0.524 289 I N 1.700 122.266 120.570 -0.007 0.000 2.494 289 I HA 0.316 4.489 4.170 0.005 0.000 0.289 289 I C 1.286 177.399 176.117 -0.007 0.000 1.106 289 I CA 0.577 61.873 61.300 -0.007 0.000 1.369 289 I CB 0.033 38.030 38.000 -0.005 0.000 1.410 289 I HN -0.062 nan 8.210 nan 0.000 0.523 290 G N 5.298 114.094 108.800 -0.008 0.000 2.335 290 G HA2 0.233 4.196 3.960 0.005 0.000 0.291 290 G HA3 0.233 4.196 3.960 0.005 0.000 0.291 290 G C -1.222 173.672 174.900 -0.009 0.000 1.261 290 G CA -0.587 44.508 45.100 -0.008 0.000 0.871 290 G HN 0.323 nan 8.290 nan 0.000 0.491 291 T N 1.911 116.459 114.554 -0.009 0.000 2.749 291 T HA 0.556 4.909 4.350 0.005 0.000 0.287 291 T C -0.195 174.497 174.700 -0.012 0.000 0.970 291 T CA -0.247 61.847 62.100 -0.010 0.000 0.980 291 T CB 1.329 70.191 68.868 -0.009 0.000 0.924 291 T HN 0.432 nan 8.240 nan 0.000 0.456 292 E N 3.134 123.326 120.200 -0.014 0.000 2.280 292 E HA 0.216 4.569 4.350 0.005 0.000 0.264 292 E C -1.329 175.260 176.600 -0.017 0.000 1.064 292 E CA -2.019 54.371 56.400 -0.017 0.000 0.900 292 E CB 0.711 30.399 29.700 -0.019 0.000 1.123 292 E HN 0.323 nan 8.360 nan 0.000 0.418 293 P HA -0.114 nan 4.420 nan 0.000 0.215 293 P C -0.220 177.068 177.300 -0.019 0.000 1.157 293 P CA 1.398 64.487 63.100 -0.019 0.000 0.868 293 P CB 0.352 32.040 31.700 -0.020 0.000 0.788 294 E N -1.491 118.696 120.200 -0.021 0.000 2.336 294 E HA 0.565 4.918 4.350 0.005 0.000 0.267 294 E C -0.566 176.023 176.600 -0.019 0.000 0.906 294 E CA -0.951 55.436 56.400 -0.021 0.000 0.781 294 E CB 2.134 31.819 29.700 -0.024 0.000 1.261 294 E HN -0.082 nan 8.360 nan 0.000 0.436 295 A N 0.308 123.119 122.820 -0.015 0.000 2.313 295 A HA 0.480 4.803 4.320 0.005 0.000 0.261 295 A C 1.184 178.760 177.584 -0.013 0.000 1.090 295 A CA 0.388 52.418 52.037 -0.011 0.000 0.807 295 A CB 0.087 19.085 19.000 -0.005 0.000 1.055 295 A HN 0.646 nan 8.150 nan 0.000 0.492 296 G N -0.908 107.886 108.800 -0.010 0.000 2.848 296 G HA2 0.296 4.259 3.960 0.005 0.000 0.208 296 G HA3 0.296 4.259 3.960 0.005 0.000 0.208 296 G C 0.415 175.308 174.900 -0.012 0.000 1.152 296 G CA 0.345 45.437 45.100 -0.013 0.000 0.789 296 G HN 0.702 nan 8.290 nan 0.000 0.531 297 Q N 0.128 119.927 119.800 -0.003 0.000 2.421 297 Q HA 0.315 4.658 4.340 0.005 0.000 0.280 297 Q C -1.486 174.521 176.000 0.012 0.000 1.085 297 Q CA -1.050 54.754 55.803 0.003 0.000 0.807 297 Q CB 2.046 30.801 28.738 0.029 0.000 1.405 297 Q HN 0.025 nan 8.270 nan 0.000 0.419 298 D N 0.688 121.093 120.400 0.009 0.000 2.383 298 D HA 0.376 5.019 4.640 0.005 0.000 0.248 298 D C -0.148 176.206 176.300 0.090 0.000 1.170 298 D CA -0.141 53.873 54.000 0.025 0.000 0.977 298 D CB 0.798 41.597 40.800 -0.001 0.000 1.120 298 D HN 0.624 nan 8.370 nan 0.000 0.481 299 A N 0.331 123.197 122.820 0.078 0.000 2.386 299 A HA 0.009 4.332 4.320 0.005 0.000 0.246 299 A C 0.625 178.355 177.584 0.244 0.000 1.089 299 A CA -0.103 51.991 52.037 0.095 0.000 0.790 299 A CB -0.088 18.928 19.000 0.027 0.000 1.042 299 A HN 0.532 nan 8.150 nan 0.000 0.497 300 Y N 1.006 121.323 120.300 0.027 0.000 2.256 300 Y HA -0.210 4.343 4.550 0.004 0.000 0.288 300 Y C 2.918 178.853 175.900 0.058 0.000 1.155 300 Y CA 1.625 59.748 58.100 0.039 0.000 1.203 300 Y CB -1.330 37.145 38.460 0.024 0.000 0.980 300 Y HN 0.745 nan 8.280 nan 0.000 0.530 301 S N -0.976 114.852 115.700 0.213 0.000 2.493 301 S HA -0.128 4.345 4.470 0.005 0.000 0.243 301 S C 1.806 176.513 174.600 0.178 0.000 0.991 301 S CA 1.214 59.507 58.200 0.155 0.000 0.957 301 S CB -0.557 62.709 63.200 0.110 0.000 0.756 301 S HN 0.470 nan 8.310 nan 0.000 0.521 302 L N -0.359 120.988 121.223 0.207 0.000 2.588 302 L HA 0.349 4.691 4.340 0.005 0.000 0.194 302 L C 2.728 179.816 176.870 0.362 0.000 1.070 302 L CA 0.238 55.250 54.840 0.287 0.000 0.852 302 L CB -0.188 41.972 42.059 0.170 0.000 1.199 302 L HN 0.174 nan 8.230 nan 0.000 0.486 303 R N -0.023 120.604 120.500 0.212 0.000 2.096 303 R HA -0.128 4.215 4.340 0.005 0.000 0.235 303 R C 1.490 177.887 176.300 0.161 0.000 1.127 303 R CA 1.751 57.948 56.100 0.162 0.000 0.968 303 R CB -0.185 30.170 30.300 0.091 0.000 0.861 303 R HN 0.383 nan 8.270 nan 0.000 0.440 304 C N 0.460 119.811 119.300 0.085 0.000 2.688 304 C HA 0.444 4.907 4.460 0.005 0.000 0.297 304 C C 2.073 177.072 174.990 0.014 0.000 1.308 304 C CA -0.384 58.623 59.018 -0.018 0.000 1.726 304 C CB -0.452 27.179 27.740 -0.183 0.000 1.982 304 C HN 0.622 nan 8.230 nan 0.000 0.604 305 A N 2.646 125.520 122.820 0.091 0.000 1.902 305 A HA -0.085 4.238 4.320 0.005 0.000 0.217 305 A C 0.027 177.522 177.584 -0.148 0.000 1.181 305 A CA 1.735 53.760 52.037 -0.021 0.000 0.623 305 A CB -1.521 17.470 19.000 -0.015 0.000 0.818 305 A HN 0.416 nan 8.150 nan 0.000 0.443 306 P HA -0.154 nan 4.420 nan 0.000 0.215 306 P C 1.257 178.472 177.300 -0.142 0.000 1.153 306 P CA 1.500 64.498 63.100 -0.170 0.000 0.853 306 P CB -0.052 31.597 31.700 -0.086 0.000 0.788 307 Q N -0.976 118.766 119.800 -0.097 0.000 2.079 307 Q HA -0.075 4.268 4.340 0.005 0.000 0.200 307 Q C 2.123 178.033 176.000 -0.149 0.000 0.974 307 Q CA 1.213 56.955 55.803 -0.101 0.000 0.840 307 Q CB -1.325 27.365 28.738 -0.080 0.000 0.898 307 Q HN 0.099 nan 8.270 nan 0.000 0.430 308 V N 0.205 120.029 119.914 -0.150 0.000 2.283 308 V HA -0.182 3.941 4.120 0.005 0.000 0.243 308 V C 2.062 177.999 176.094 -0.262 0.000 1.039 308 V CA 1.364 63.565 62.300 -0.164 0.000 1.016 308 V CB -0.540 31.218 31.823 -0.109 0.000 0.650 308 V HN 0.296 nan 8.190 nan 0.000 0.449 309 L N 0.556 121.573 121.223 -0.345 0.000 2.046 309 L HA -0.087 4.256 4.340 0.005 0.000 0.208 309 L C 2.669 178.973 176.870 -0.943 0.000 1.077 309 L CA 1.768 56.208 54.840 -0.666 0.000 0.747 309 L CB -1.212 40.443 42.059 -0.673 0.000 0.896 309 L HN 0.480 nan 8.230 nan 0.000 0.432 310 G N -0.287 108.184 108.800 -0.548 0.000 2.440 310 G HA2 -0.279 3.684 3.960 0.005 0.000 0.218 310 G HA3 -0.279 3.684 3.960 0.005 0.000 0.218 310 G C 1.778 176.556 174.900 -0.203 0.000 1.154 310 G CA 0.871 45.783 45.100 -0.313 0.000 0.767 310 G HN 0.473 nan 8.290 nan 0.000 0.552 311 A N 0.815 123.503 122.820 -0.221 0.000 1.902 311 A HA 0.145 4.468 4.320 0.005 0.000 0.217 311 A C 2.704 180.223 177.584 -0.110 0.000 1.181 311 A CA 2.134 54.065 52.037 -0.176 0.000 0.623 311 A CB -1.036 17.854 19.000 -0.183 0.000 0.818 311 A HN 0.542 nan 8.150 nan 0.000 0.443 312 G N -1.082 107.623 108.800 -0.159 0.000 2.402 312 G HA2 -0.119 3.843 3.960 0.005 0.000 0.216 312 G HA3 -0.119 3.843 3.960 0.005 0.000 0.216 312 G C 1.288 176.285 174.900 0.163 0.000 1.162 312 G CA 1.041 46.106 45.100 -0.058 0.000 0.777 312 G HN 0.379 nan 8.290 nan 0.000 0.539 313 F N 1.764 121.718 119.950 0.007 0.000 2.171 313 F HA 0.019 4.549 4.527 0.004 0.000 0.300 313 F C 2.294 178.119 175.800 0.042 0.000 1.090 313 F CA 0.449 58.465 58.000 0.027 0.000 1.293 313 F CB -0.660 38.350 39.000 0.016 0.000 1.013 313 F HN 0.123 nan 8.300 nan 0.000 0.486 314 D N -0.632 119.895 120.400 0.211 0.000 2.183 314 D HA -0.093 4.549 4.640 0.005 0.000 0.203 314 D C 2.212 178.621 176.300 0.181 0.000 0.969 314 D CA 1.342 55.433 54.000 0.152 0.000 0.842 314 D CB -0.369 40.468 40.800 0.062 0.000 0.957 314 D HN 0.200 nan 8.370 nan 0.000 0.484 315 T N 1.130 115.784 114.554 0.167 0.000 2.812 315 T HA -0.104 4.249 4.350 0.005 0.000 0.264 315 T C 1.909 176.779 174.700 0.284 0.000 1.042 315 T CA 0.347 62.587 62.100 0.234 0.000 1.140 315 T CB -0.189 68.769 68.868 0.149 0.000 0.870 315 T HN 0.038 nan 8.240 nan 0.000 0.445 316 L N 1.573 122.920 121.223 0.206 0.000 2.046 316 L HA 0.100 4.443 4.340 0.005 0.000 0.208 316 L C 2.599 179.589 176.870 0.200 0.000 1.077 316 L CA 1.764 56.701 54.840 0.162 0.000 0.747 316 L CB -1.035 41.098 42.059 0.123 0.000 0.896 316 L HN 0.218 nan 8.230 nan 0.000 0.432 317 A N -1.132 121.806 122.820 0.197 0.000 1.908 317 A HA -0.293 4.030 4.320 0.005 0.000 0.218 317 A C 2.138 179.862 177.584 0.233 0.000 1.181 317 A CA 1.871 54.014 52.037 0.176 0.000 0.627 317 A CB -1.490 17.606 19.000 0.161 0.000 0.818 317 A HN 0.746 nan 8.150 nan 0.000 0.445 318 W N 0.327 121.685 121.300 0.097 0.000 2.379 318 W HA -0.184 4.478 4.660 0.004 0.000 0.307 318 W C 2.261 178.845 176.519 0.108 0.000 1.200 318 W CA 1.914 59.311 57.345 0.087 0.000 1.297 318 W CB -0.758 28.748 29.460 0.076 0.000 1.140 318 W HN 0.630 nan 8.180 nan 0.000 0.507 319 H N 0.166 119.177 119.070 -0.098 0.000 2.319 319 H HA -0.177 4.382 4.556 0.004 0.000 0.297 319 H C 1.370 176.584 175.328 -0.191 0.000 1.097 319 H CA 2.435 58.319 56.048 -0.274 0.000 1.285 319 H CB -0.523 29.189 29.762 -0.082 0.000 1.368 319 H HN 0.064 nan 8.280 nan 0.000 0.495 320 D N 0.229 120.665 120.400 0.061 0.000 2.144 320 D HA -0.073 4.570 4.640 0.005 0.000 0.200 320 D C 2.599 178.863 176.300 -0.060 0.000 0.978 320 D CA 0.581 54.590 54.000 0.015 0.000 0.833 320 D CB -0.230 40.625 40.800 0.092 0.000 0.961 320 D HN 0.377 nan 8.370 nan 0.000 0.470 321 R N 0.273 120.749 120.500 -0.040 0.000 2.073 321 R HA -0.058 4.284 4.340 0.005 0.000 0.234 321 R C 2.304 178.545 176.300 -0.099 0.000 1.134 321 R CA 0.728 56.815 56.100 -0.022 0.000 0.952 321 R CB -0.415 29.920 30.300 0.058 0.000 0.850 321 R HN 0.103 nan 8.270 nan 0.000 0.433 322 V N 1.319 121.092 119.914 -0.235 0.000 2.358 322 V HA -0.215 3.907 4.120 0.005 0.000 0.246 322 V C 2.196 178.141 176.094 -0.249 0.000 1.047 322 V CA 1.376 63.513 62.300 -0.272 0.000 1.035 322 V CB -0.399 31.138 31.823 -0.477 0.000 0.658 322 V HN 0.231 nan 8.190 nan 0.000 0.452 323 L N -0.080 120.956 121.223 -0.312 0.000 2.093 323 L HA -0.128 4.215 4.340 0.005 0.000 0.208 323 L C 2.426 179.210 176.870 -0.145 0.000 1.085 323 L CA 2.282 56.966 54.840 -0.260 0.000 0.755 323 L CB -0.908 40.950 42.059 -0.334 0.000 0.904 323 L HN 0.326 nan 8.230 nan 0.000 0.435 324 T N -0.189 114.305 114.554 -0.100 0.000 2.746 324 T HA -0.149 4.204 4.350 0.005 0.000 0.267 324 T C 1.956 176.638 174.700 -0.031 0.000 1.039 324 T CA 1.962 64.037 62.100 -0.041 0.000 1.142 324 T CB -0.268 68.618 68.868 0.031 0.000 0.866 324 T HN 0.311 nan 8.240 nan 0.000 0.444 325 I N 0.644 121.183 120.570 -0.051 0.000 2.202 325 I HA -0.140 4.033 4.170 0.005 0.000 0.242 325 I C 2.721 178.785 176.117 -0.089 0.000 1.091 325 I CA 1.277 62.543 61.300 -0.057 0.000 1.368 325 I CB -0.290 37.653 38.000 -0.095 0.000 1.058 325 I HN 0.202 nan 8.210 nan 0.000 0.410 326 E N 1.267 121.393 120.200 -0.123 0.000 2.077 326 E HA -0.260 4.093 4.350 0.005 0.000 0.193 326 E C 2.026 178.575 176.600 -0.086 0.000 0.989 326 E CA 1.282 57.612 56.400 -0.117 0.000 0.800 326 E CB -0.272 29.354 29.700 -0.123 0.000 0.746 326 E HN 0.320 nan 8.360 nan 0.000 0.452 327 L N 0.847 122.018 121.223 -0.086 0.000 2.083 327 L HA -0.075 4.268 4.340 0.005 0.000 0.209 327 L C 1.140 177.962 176.870 -0.080 0.000 1.083 327 L CA 1.771 56.562 54.840 -0.081 0.000 0.752 327 L CB -0.331 41.673 42.059 -0.092 0.000 0.899 327 L HN 0.134 nan 8.230 nan 0.000 0.433 328 N N -0.096 118.560 118.700 -0.074 0.000 2.268 328 N HA 0.219 4.962 4.740 0.005 0.000 0.204 328 N C 0.257 175.751 175.510 -0.027 0.000 1.124 328 N CA 0.601 53.620 53.050 -0.052 0.000 0.838 328 N CB 0.339 38.816 38.487 -0.016 0.000 0.994 328 N HN 0.417 nan 8.380 nan 0.000 0.489 329 A N 0.223 123.017 122.820 -0.043 0.000 2.261 329 A HA 0.600 4.923 4.320 0.005 0.000 0.323 329 A C -0.024 177.537 177.584 -0.038 0.000 1.107 329 A CA -0.398 51.613 52.037 -0.044 0.000 0.883 329 A CB 1.060 20.018 19.000 -0.069 0.000 1.251 329 A HN -0.040 nan 8.150 nan 0.000 0.502 330 V N 1.303 121.194 119.914 -0.039 0.000 2.311 330 V HA 0.297 4.420 4.120 0.005 0.000 0.275 330 V C 0.867 176.937 176.094 -0.040 0.000 1.022 330 V CA 0.399 62.681 62.300 -0.031 0.000 0.830 330 V CB 0.615 32.421 31.823 -0.029 0.000 1.012 330 V HN 1.029 nan 8.190 nan 0.000 0.452 331 T N -0.709 113.832 114.554 -0.023 0.000 3.186 331 T HA 0.210 4.563 4.350 0.005 0.000 0.257 331 T C 0.142 174.863 174.700 0.034 0.000 1.029 331 T CA -0.540 61.554 62.100 -0.011 0.000 0.916 331 T CB -0.362 68.511 68.868 0.008 0.000 1.041 331 T HN 0.539 nan 8.240 nan 0.000 0.562 332 D N 2.409 122.818 120.400 0.016 0.000 2.344 332 D HA 0.510 5.153 4.640 0.005 0.000 0.244 332 D C -0.105 176.209 176.300 0.024 0.000 1.134 332 D CA -0.055 53.969 54.000 0.040 0.000 0.930 332 D CB 0.523 41.328 40.800 0.008 0.000 1.175 332 D HN 0.335 nan 8.370 nan 0.000 0.437 333 N N 0.111 118.858 118.700 0.077 0.000 2.503 333 N HA 0.289 5.032 4.740 0.005 0.000 0.287 333 N C -2.946 172.586 175.510 0.037 0.000 1.096 333 N CA -1.354 51.713 53.050 0.028 0.000 0.936 333 N CB 1.862 40.494 38.487 0.243 0.000 1.570 333 N HN 0.027 nan 8.380 nan 0.000 0.504 334 P HA 0.333 nan 4.420 nan 0.000 0.279 334 P C -0.894 176.066 177.300 -0.567 0.000 1.282 334 P CA -0.460 62.347 63.100 -0.489 0.000 0.788 334 P CB 1.009 32.206 31.700 -0.839 0.000 1.139 335 V N -3.652 115.852 119.914 -0.684 0.000 2.914 335 V HA 0.639 4.762 4.120 0.005 0.000 0.314 335 V C -1.019 174.597 176.094 -0.798 0.000 1.084 335 V CA -0.935 60.996 62.300 -0.616 0.000 0.963 335 V CB 1.620 33.282 31.823 -0.267 0.000 1.025 335 V HN 0.229 nan 8.190 nan 0.000 0.432 336 F N 1.950 121.886 119.950 -0.023 0.000 2.359 336 F HA 0.613 5.143 4.527 0.005 0.000 0.369 336 F C -2.417 173.379 175.800 -0.006 0.000 1.084 336 F CA -2.553 55.441 58.000 -0.009 0.000 1.096 336 F CB 1.286 40.287 39.000 0.002 0.000 1.335 336 F HN 0.297 nan 8.300 nan 0.000 0.457 337 P HA -0.014 nan 4.420 nan 0.000 0.258 337 P C -1.976 175.369 177.300 0.074 0.000 1.172 337 P CA -0.579 62.556 63.100 0.058 0.000 0.762 337 P CB 0.443 32.165 31.700 0.037 0.000 0.764 338 P HA -0.199 nan 4.420 nan 0.000 0.218 338 P C 0.885 178.206 177.300 0.036 0.000 1.148 338 P CA 1.423 64.551 63.100 0.046 0.000 0.822 338 P CB -0.119 31.601 31.700 0.033 0.000 0.784 339 D N -1.591 118.827 120.400 0.030 0.000 2.312 339 D HA -0.007 4.636 4.640 0.005 0.000 0.211 339 D C 1.429 177.746 176.300 0.029 0.000 0.964 339 D CA 1.104 55.119 54.000 0.024 0.000 0.877 339 D CB -1.240 39.571 40.800 0.018 0.000 0.924 339 D HN 0.205 nan 8.370 nan 0.000 0.515 340 G N -0.127 108.697 108.800 0.040 0.000 2.143 340 G HA2 -0.354 3.608 3.960 0.005 0.000 0.248 340 G HA3 -0.354 3.608 3.960 0.005 0.000 0.248 340 G C 1.182 176.106 174.900 0.040 0.000 0.991 340 G CA 1.022 46.149 45.100 0.044 0.000 0.689 340 G HN 0.648 nan 8.290 nan 0.000 0.522 341 S N -1.501 114.220 115.700 0.035 0.000 2.370 341 S HA 0.215 4.688 4.470 0.005 0.000 0.226 341 S C 1.182 175.803 174.600 0.035 0.000 1.033 341 S CA 1.884 60.101 58.200 0.029 0.000 1.011 341 S CB -0.307 62.906 63.200 0.021 0.000 0.852 341 S HN 2.035 nan 8.310 nan 0.000 0.457 342 V N -3.562 116.379 119.914 0.046 0.000 3.049 342 V HA 0.555 4.677 4.120 0.005 0.000 0.309 342 V C -2.552 173.594 176.094 0.086 0.000 1.148 342 V CA -2.172 60.162 62.300 0.057 0.000 0.990 342 V CB 1.240 33.092 31.823 0.048 0.000 1.039 342 V HN -0.136 nan 8.190 nan 0.000 0.430 343 P HA 0.181 nan 4.420 nan 0.000 0.216 343 P C 0.319 177.766 177.300 0.244 0.000 1.150 343 P CA 2.250 65.444 63.100 0.157 0.000 0.837 343 P CB 0.172 31.959 31.700 0.145 0.000 0.786 344 A N -2.206 120.710 122.820 0.160 0.000 2.586 344 A HA 0.626 4.949 4.320 0.005 0.000 0.291 344 A C -1.985 175.589 177.584 -0.016 0.000 1.062 344 A CA -0.556 51.505 52.037 0.040 0.000 0.666 344 A CB 0.373 19.388 19.000 0.026 0.000 1.281 344 A HN -0.059 nan 8.150 nan 0.000 0.421 345 L N 1.005 122.128 121.223 -0.168 0.000 2.381 345 L HA 0.599 4.941 4.340 0.005 0.000 0.268 345 L C -1.166 175.572 176.870 -0.221 0.000 0.997 345 L CA -0.700 54.085 54.840 -0.091 0.000 0.818 345 L CB 2.338 44.343 42.059 -0.090 0.000 1.310 345 L HN 0.870 nan 8.230 nan 0.000 0.416 346 H N 1.095 120.102 119.070 -0.106 0.000 2.505 346 H HA 0.757 5.315 4.556 0.004 0.000 0.338 346 H C 0.159 175.422 175.328 -0.107 0.000 1.057 346 H CA -0.146 55.839 56.048 -0.104 0.000 1.202 346 H CB 2.018 31.724 29.762 -0.094 0.000 1.466 346 H HN 0.746 nan 8.280 nan 0.000 0.499 347 G N 0.602 109.370 108.800 -0.053 0.000 2.793 347 G HA2 0.446 4.409 3.960 0.005 0.000 0.248 347 G HA3 0.446 4.409 3.960 0.005 0.000 0.248 347 G C -0.289 174.441 174.900 -0.283 0.000 1.198 347 G CA -0.301 44.723 45.100 -0.127 0.000 0.865 347 G HN 0.673 nan 8.290 nan 0.000 0.534 348 G N 0.030 108.548 108.800 -0.470 0.000 4.716 348 G HA2 0.292 4.255 3.960 0.005 0.000 0.282 348 G HA3 0.292 4.255 3.960 0.005 0.000 0.282 348 G C 0.246 174.555 174.900 -0.984 0.000 1.173 348 G CA -0.149 44.305 45.100 -1.076 0.000 0.913 348 G HN 0.264 nan 8.290 nan 0.000 0.566 349 N N 0.875 119.200 118.700 -0.624 0.000 2.609 349 N HA -0.043 4.700 4.740 0.005 0.000 0.190 349 N C 1.473 176.834 175.510 -0.248 0.000 1.157 349 N CA 0.325 53.172 53.050 -0.338 0.000 0.918 349 N CB -0.145 38.228 38.487 -0.191 0.000 0.978 349 N HN 0.628 nan 8.380 nan 0.000 0.448 350 F N -1.282 118.649 119.950 -0.033 0.000 2.789 350 F HA 0.336 4.866 4.527 0.005 0.000 0.300 350 F C 0.809 176.604 175.800 -0.007 0.000 1.132 350 F CA -0.816 57.170 58.000 -0.023 0.000 1.404 350 F CB -0.743 38.242 39.000 -0.025 0.000 1.114 350 F HN -0.165 nan 8.300 nan 0.000 0.584 351 M N 2.718 122.332 119.600 0.024 0.000 2.350 351 M HA 0.359 4.842 4.480 0.005 0.000 0.338 351 M C 0.928 177.281 176.300 0.089 0.000 1.559 351 M CA -0.478 54.894 55.300 0.121 0.000 1.217 351 M CB 0.229 32.824 32.600 -0.008 0.000 1.808 351 M HN 0.238 nan 8.290 nan 0.000 0.458 352 G N 3.544 112.411 108.800 0.111 0.000 3.574 352 G HA2 0.061 4.024 3.960 0.005 0.000 0.262 352 G HA3 0.061 4.024 3.960 0.005 0.000 0.262 352 G C 0.647 175.588 174.900 0.067 0.000 1.231 352 G CA -0.221 44.927 45.100 0.081 0.000 1.608 352 G HN 0.816 nan 8.290 nan 0.000 0.628 353 Q N -0.014 119.824 119.800 0.063 0.000 2.167 353 Q HA -0.090 4.252 4.340 0.005 0.000 0.202 353 Q C 1.916 177.890 176.000 -0.042 0.000 0.970 353 Q CA 1.455 57.261 55.803 0.005 0.000 0.855 353 Q CB -0.111 28.608 28.738 -0.031 0.000 0.911 353 Q HN 0.719 nan 8.270 nan 0.000 0.438 354 H N -1.727 117.324 119.070 -0.032 0.000 2.321 354 H HA -0.063 4.496 4.556 0.005 0.000 0.300 354 H C 1.786 177.037 175.328 -0.127 0.000 1.087 354 H CA 1.797 57.800 56.048 -0.075 0.000 1.319 354 H CB -0.019 29.686 29.762 -0.096 0.000 1.379 354 H HN 0.069 nan 8.280 nan 0.000 0.501 355 V N 0.495 120.419 119.914 0.016 0.000 2.626 355 V HA -0.199 3.923 4.120 0.005 0.000 0.252 355 V C 2.442 178.527 176.094 -0.015 0.000 1.067 355 V CA 1.332 63.602 62.300 -0.049 0.000 1.081 355 V CB -0.852 30.952 31.823 -0.031 0.000 0.686 355 V HN 0.562 nan 8.190 nan 0.000 0.468 356 A N 0.026 122.850 122.820 0.007 0.000 1.877 356 A HA -0.129 4.194 4.320 0.005 0.000 0.216 356 A C 2.182 179.782 177.584 0.027 0.000 1.186 356 A CA 1.663 53.714 52.037 0.024 0.000 0.620 356 A CB -0.460 18.556 19.000 0.027 0.000 0.822 356 A HN 0.487 nan 8.150 nan 0.000 0.443 357 L N -0.095 121.133 121.223 0.009 0.000 2.109 357 L HA -0.129 4.214 4.340 0.005 0.000 0.207 357 L C 2.939 179.858 176.870 0.080 0.000 1.086 357 L CA 1.719 56.594 54.840 0.058 0.000 0.760 357 L CB -0.826 41.279 42.059 0.076 0.000 0.910 357 L HN 0.653 nan 8.230 nan 0.000 0.437 358 T N -4.704 109.802 114.554 -0.081 0.000 2.904 358 T HA -0.072 4.281 4.350 0.005 0.000 0.267 358 T C 2.026 176.810 174.700 0.140 0.000 1.059 358 T CA 1.149 63.157 62.100 -0.155 0.000 1.137 358 T CB -0.178 68.387 68.868 -0.504 0.000 0.879 358 T HN 0.111 nan 8.240 nan 0.000 0.467 359 S N 1.669 117.446 115.700 0.128 0.000 2.368 359 S HA -0.095 4.378 4.470 0.005 0.000 0.224 359 S C 1.851 176.511 174.600 0.099 0.000 1.029 359 S CA 1.187 59.477 58.200 0.149 0.000 0.988 359 S CB -0.530 62.737 63.200 0.111 0.000 0.838 359 S HN 0.508 nan 8.310 nan 0.000 0.462 360 D N 1.605 122.059 120.400 0.091 0.000 2.144 360 D HA -0.001 4.642 4.640 0.005 0.000 0.199 360 D C 2.104 178.458 176.300 0.090 0.000 0.984 360 D CA 1.172 55.220 54.000 0.079 0.000 0.834 360 D CB -0.376 40.468 40.800 0.072 0.000 0.955 360 D HN 0.375 nan 8.370 nan 0.000 0.465 361 A N 0.669 123.577 122.820 0.147 0.000 1.898 361 A HA -0.124 4.199 4.320 0.005 0.000 0.216 361 A C 2.146 179.801 177.584 0.118 0.000 1.181 361 A CA 0.892 53.036 52.037 0.179 0.000 0.620 361 A CB -0.681 18.552 19.000 0.389 0.000 0.819 361 A HN 0.240 nan 8.150 nan 0.000 0.442 362 L N -0.161 121.123 121.223 0.102 0.000 2.083 362 L HA -0.043 4.300 4.340 0.005 0.000 0.209 362 L C 2.648 179.504 176.870 -0.024 0.000 1.083 362 L CA 2.050 56.895 54.840 0.007 0.000 0.752 362 L CB -0.817 41.161 42.059 -0.135 0.000 0.899 362 L HN 0.351 nan 8.230 nan 0.000 0.433 363 A N -1.530 121.291 122.820 0.001 0.000 1.908 363 A HA -0.228 4.094 4.320 0.005 0.000 0.218 363 A C 2.273 179.835 177.584 -0.038 0.000 1.181 363 A CA 2.418 54.449 52.037 -0.009 0.000 0.627 363 A CB -1.234 17.777 19.000 0.019 0.000 0.818 363 A HN 0.505 nan 8.150 nan 0.000 0.445 364 T N 0.226 114.768 114.554 -0.021 0.000 2.746 364 T HA -0.002 4.351 4.350 0.005 0.000 0.267 364 T C 2.228 176.876 174.700 -0.087 0.000 1.039 364 T CA 1.569 63.645 62.100 -0.040 0.000 1.142 364 T CB -0.466 68.393 68.868 -0.015 0.000 0.866 364 T HN 0.609 nan 8.240 nan 0.000 0.444 365 A N 0.991 123.761 122.820 -0.082 0.000 1.902 365 A HA -0.058 4.264 4.320 0.005 0.000 0.217 365 A C 2.577 179.999 177.584 -0.269 0.000 1.181 365 A CA 1.363 53.321 52.037 -0.132 0.000 0.623 365 A CB -1.024 17.933 19.000 -0.071 0.000 0.818 365 A HN 0.359 nan 8.150 nan 0.000 0.443 366 V N -0.296 119.446 119.914 -0.287 0.000 2.407 366 V HA -0.216 3.907 4.120 0.005 0.000 0.248 366 V C 2.720 178.496 176.094 -0.530 0.000 1.055 366 V CA 2.425 64.412 62.300 -0.521 0.000 1.049 366 V CB -1.183 30.496 31.823 -0.241 0.000 0.662 366 V HN 0.613 nan 8.190 nan 0.000 0.455 367 T N -0.163 114.224 114.554 -0.278 0.000 2.777 367 T HA -0.143 4.210 4.350 0.005 0.000 0.266 367 T C 1.960 176.527 174.700 -0.221 0.000 1.040 367 T CA 1.534 63.513 62.100 -0.202 0.000 1.141 367 T CB -0.163 68.642 68.868 -0.105 0.000 0.868 367 T HN 0.279 nan 8.240 nan 0.000 0.444 368 V N 1.236 121.019 119.914 -0.219 0.000 2.295 368 V HA -0.106 4.017 4.120 0.005 0.000 0.246 368 V C 2.407 178.361 176.094 -0.233 0.000 1.049 368 V CA 1.352 63.543 62.300 -0.182 0.000 1.024 368 V CB -0.564 31.166 31.823 -0.154 0.000 0.648 368 V HN 0.316 nan 8.190 nan 0.000 0.447 369 L N 0.275 121.263 121.223 -0.392 0.000 2.141 369 L HA -0.039 4.304 4.340 0.005 0.000 0.209 369 L C 2.534 179.183 176.870 -0.368 0.000 1.094 369 L CA 2.050 56.644 54.840 -0.410 0.000 0.763 369 L CB -1.137 40.537 42.059 -0.641 0.000 0.908 369 L HN 0.286 nan 8.230 nan 0.000 0.437 370 A N -0.635 121.837 122.820 -0.580 0.000 1.969 370 A HA -0.049 4.274 4.320 0.005 0.000 0.218 370 A C 2.414 179.975 177.584 -0.037 0.000 1.169 370 A CA 1.442 53.342 52.037 -0.229 0.000 0.635 370 A CB -1.188 17.699 19.000 -0.188 0.000 0.810 370 A HN 0.421 nan 8.150 nan 0.000 0.445 371 G N -0.104 108.645 108.800 -0.084 0.000 2.408 371 G HA2 -0.115 3.848 3.960 0.005 0.000 0.217 371 G HA3 -0.115 3.848 3.960 0.005 0.000 0.217 371 G C 1.474 176.377 174.900 0.005 0.000 1.150 371 G CA 1.159 46.242 45.100 -0.028 0.000 0.776 371 G HN 0.504 nan 8.290 nan 0.000 0.542 372 L N 1.392 122.614 121.223 -0.002 0.000 2.017 372 L HA 0.163 4.506 4.340 0.005 0.000 0.208 372 L C 3.024 179.941 176.870 0.077 0.000 1.073 372 L CA 2.315 57.177 54.840 0.036 0.000 0.745 372 L CB -0.771 41.303 42.059 0.024 0.000 0.894 372 L HN 0.207 nan 8.230 nan 0.000 0.432 373 A N -0.862 122.030 122.820 0.120 0.000 1.933 373 A HA -0.233 4.090 4.320 0.005 0.000 0.218 373 A C 2.328 179.973 177.584 0.102 0.000 1.175 373 A CA 1.746 53.872 52.037 0.148 0.000 0.628 373 A CB -0.785 18.363 19.000 0.247 0.000 0.814 373 A HN 0.603 nan 8.150 nan 0.000 0.444 374 E N -0.035 120.219 120.200 0.089 0.000 2.077 374 E HA -0.196 4.157 4.350 0.005 0.000 0.193 374 E C 2.067 178.701 176.600 0.057 0.000 0.989 374 E CA 0.891 57.333 56.400 0.068 0.000 0.800 374 E CB -0.211 29.523 29.700 0.057 0.000 0.746 374 E HN 0.376 nan 8.360 nan 0.000 0.452 375 R N 0.340 120.872 120.500 0.052 0.000 2.148 375 R HA -0.034 4.309 4.340 0.005 0.000 0.223 375 R C 2.360 178.690 176.300 0.049 0.000 1.088 375 R CA 0.790 56.917 56.100 0.046 0.000 0.985 375 R CB -0.375 29.950 30.300 0.042 0.000 0.880 375 R HN 0.399 nan 8.270 nan 0.000 0.451 376 Q N 0.009 119.844 119.800 0.060 0.000 2.119 376 Q HA -0.029 4.314 4.340 0.005 0.000 0.201 376 Q C 2.170 178.194 176.000 0.040 0.000 0.972 376 Q CA 1.071 56.909 55.803 0.059 0.000 0.847 376 Q CB -0.058 28.726 28.738 0.076 0.000 0.903 376 Q HN 0.305 nan 8.270 nan 0.000 0.433 377 I N 0.595 121.189 120.570 0.040 0.000 2.202 377 I HA -0.260 3.913 4.170 0.005 0.000 0.242 377 I C 2.433 178.574 176.117 0.040 0.000 1.091 377 I CA 0.942 62.258 61.300 0.028 0.000 1.368 377 I CB -0.434 37.588 38.000 0.037 0.000 1.058 377 I HN 0.151 nan 8.210 nan 0.000 0.410 378 A N 0.778 123.629 122.820 0.052 0.000 1.940 378 A HA -0.261 4.062 4.320 0.005 0.000 0.219 378 A C 2.437 180.036 177.584 0.025 0.000 1.176 378 A CA 1.993 54.064 52.037 0.057 0.000 0.631 378 A CB -0.649 18.383 19.000 0.053 0.000 0.814 378 A HN 0.408 nan 8.150 nan 0.000 0.446 379 R N -0.966 119.543 120.500 0.016 0.000 2.062 379 R HA -0.013 4.329 4.340 0.005 0.000 0.226 379 R C 2.031 178.319 176.300 -0.020 0.000 1.125 379 R CA 1.330 57.429 56.100 -0.002 0.000 0.966 379 R CB -0.407 29.899 30.300 0.010 0.000 0.861 379 R HN 0.390 nan 8.270 nan 0.000 0.433 380 L N 1.263 122.479 121.223 -0.011 0.000 2.127 380 L HA -0.117 4.226 4.340 0.005 0.000 0.211 380 L C 1.969 178.809 176.870 -0.050 0.000 1.089 380 L CA 2.445 57.270 54.840 -0.026 0.000 0.757 380 L CB -0.451 41.593 42.059 -0.026 0.000 0.899 380 L HN 0.450 nan 8.230 nan 0.000 0.434 381 T N -4.405 110.119 114.554 -0.049 0.000 3.107 381 T HA 0.038 4.391 4.350 0.005 0.000 0.249 381 T C 0.729 175.220 174.700 -0.348 0.000 1.096 381 T CA -0.140 61.900 62.100 -0.101 0.000 1.012 381 T CB -0.449 68.475 68.868 0.093 0.000 0.977 381 T HN 0.243 nan 8.240 nan 0.000 0.527 382 D N 2.717 122.978 120.400 -0.231 0.000 2.339 382 D HA 0.070 4.713 4.640 0.005 0.000 0.241 382 D C 1.341 177.517 176.300 -0.206 0.000 1.183 382 D CA -0.274 53.570 54.000 -0.261 0.000 0.859 382 D CB 1.230 41.959 40.800 -0.118 0.000 1.067 382 D HN 0.620 nan 8.370 nan 0.000 0.484 383 E N 3.293 123.344 120.200 -0.248 0.000 2.267 383 E HA -0.216 4.136 4.350 0.005 0.000 0.197 383 E C 1.043 177.594 176.600 -0.082 0.000 0.998 383 E CA 0.845 57.163 56.400 -0.137 0.000 0.830 383 E CB 0.061 29.696 29.700 -0.109 0.000 0.751 383 E HN 0.377 nan 8.360 nan 0.000 0.491 384 R N -0.014 120.439 120.500 -0.078 0.000 2.275 384 R HA 0.176 4.519 4.340 0.005 0.000 0.199 384 R C 1.727 178.001 176.300 -0.043 0.000 0.989 384 R CA 0.524 56.596 56.100 -0.048 0.000 1.016 384 R CB 0.190 30.468 30.300 -0.037 0.000 0.918 384 R HN 0.276 nan 8.270 nan 0.000 0.473 385 L N 0.079 121.271 121.223 -0.052 0.000 2.781 385 L HA 0.111 4.454 4.340 0.005 0.000 0.245 385 L C 0.610 177.458 176.870 -0.037 0.000 1.118 385 L CA -0.095 54.721 54.840 -0.040 0.000 0.918 385 L CB 0.215 42.252 42.059 -0.036 0.000 1.246 385 L HN 0.118 nan 8.230 nan 0.000 0.526 386 N N 0.913 119.584 118.700 -0.048 0.000 2.362 386 N HA -0.042 4.701 4.740 0.005 0.000 0.204 386 N C 0.026 175.518 175.510 -0.031 0.000 1.166 386 N CA -0.304 52.722 53.050 -0.040 0.000 0.831 386 N CB -0.199 38.256 38.487 -0.053 0.000 1.008 386 N HN 0.077 nan 8.380 nan 0.000 0.472 387 R N -0.470 120.013 120.500 -0.028 0.000 3.188 387 R HA -0.170 4.172 4.340 0.005 0.000 0.247 387 R C 0.774 177.062 176.300 -0.020 0.000 0.918 387 R CA 0.489 56.576 56.100 -0.023 0.000 0.629 387 R CB -2.209 28.079 30.300 -0.020 0.000 1.087 387 R HN 0.607 nan 8.270 nan 0.000 0.462 388 G N -1.043 107.745 108.800 -0.021 0.000 2.179 388 G HA2 -0.289 3.674 3.960 0.005 0.000 0.220 388 G HA3 -0.289 3.674 3.960 0.005 0.000 0.220 388 G C 0.227 175.117 174.900 -0.017 0.000 0.990 388 G CA -0.004 45.086 45.100 -0.016 0.000 0.646 388 G HN 0.257 nan 8.290 nan 0.000 0.517 389 L N 1.527 122.736 121.223 -0.023 0.000 2.418 389 L HA 0.442 4.785 4.340 0.005 0.000 0.265 389 L C -1.642 175.215 176.870 -0.023 0.000 1.143 389 L CA -2.084 52.741 54.840 -0.024 0.000 0.809 389 L CB 0.764 42.808 42.059 -0.025 0.000 1.124 389 L HN -0.096 nan 8.230 nan 0.000 0.456 390 P HA 0.047 nan 4.420 nan 0.000 0.269 390 P C -2.482 174.855 177.300 0.061 0.000 1.209 390 P CA -0.921 62.185 63.100 0.010 0.000 0.776 390 P CB -0.191 31.405 31.700 -0.173 0.000 0.876 391 P HA -0.012 nan 4.420 nan 0.000 0.267 391 P C -0.244 177.115 177.300 0.098 0.000 1.209 391 P CA 0.338 63.394 63.100 -0.073 0.000 0.763 391 P CB -0.141 31.553 31.700 -0.010 0.000 0.816 392 F N 1.578 121.628 119.950 0.166 0.000 3.069 392 F HA -0.241 4.288 4.527 0.005 0.000 0.285 392 F C 1.305 177.281 175.800 0.293 0.000 0.827 392 F CA 0.368 58.490 58.000 0.203 0.000 1.108 392 F CB -2.631 36.476 39.000 0.178 0.000 1.252 392 F HN 0.274 nan 8.300 nan 0.000 0.483 393 L N -1.630 119.760 121.223 0.278 0.000 3.737 393 L HA -0.316 4.027 4.340 0.005 0.000 0.418 393 L C 1.317 178.347 176.870 0.266 0.000 1.216 393 L CA 1.039 56.020 54.840 0.234 0.000 0.915 393 L CB -1.993 40.210 42.059 0.241 0.000 1.834 393 L HN 0.687 nan 8.230 nan 0.000 0.943 394 H N 0.405 119.599 119.070 0.207 0.000 2.603 394 H HA 0.685 5.244 4.556 0.005 0.000 0.370 394 H C 0.284 175.669 175.328 0.095 0.000 1.225 394 H CA -0.471 55.657 56.048 0.134 0.000 1.410 394 H CB 0.911 30.742 29.762 0.114 0.000 1.495 394 H HN 0.299 nan 8.280 nan 0.000 0.602 395 R N -0.237 120.256 120.500 -0.011 0.000 2.888 395 R HA 0.488 4.831 4.340 0.005 0.000 0.266 395 R C -0.308 176.073 176.300 0.134 0.000 1.020 395 R CA -0.273 55.797 56.100 -0.050 0.000 0.963 395 R CB 2.087 32.386 30.300 -0.002 0.000 1.197 395 R HN 1.101 nan 8.270 nan 0.000 0.481 396 G N 1.229 110.087 108.800 0.097 0.000 2.760 396 G HA2 -0.179 3.783 3.960 0.005 0.000 0.246 396 G HA3 -0.179 3.783 3.960 0.005 0.000 0.246 396 G C -2.770 172.251 174.900 0.201 0.000 1.359 396 G CA -1.218 43.956 45.100 0.124 0.000 0.861 396 G HN 0.387 nan 8.290 nan 0.000 0.541 397 P HA 0.488 nan 4.420 nan 0.000 0.271 397 P C 0.375 177.712 177.300 0.060 0.000 1.220 397 P CA 0.705 63.871 63.100 0.110 0.000 0.768 397 P CB 0.892 32.623 31.700 0.051 0.000 0.848 398 A N 3.293 126.136 122.820 0.039 0.000 2.483 398 A HA 0.465 4.788 4.320 0.005 0.000 0.238 398 A C 1.579 179.065 177.584 -0.163 0.000 1.070 398 A CA 0.879 52.751 52.037 -0.276 0.000 0.770 398 A CB -1.041 17.895 19.000 -0.106 0.000 1.008 398 A HN 0.816 nan 8.150 nan 0.000 0.497 399 G N 0.414 109.094 108.800 -0.200 0.000 3.206 399 G HA2 -0.264 3.699 3.960 0.005 0.000 0.217 399 G HA3 -0.264 3.699 3.960 0.005 0.000 0.217 399 G C 0.975 175.826 174.900 -0.082 0.000 1.350 399 G CA 0.694 45.735 45.100 -0.097 0.000 0.836 399 G HN 1.224 nan 8.290 nan 0.000 0.548 400 L N 1.721 122.905 121.223 -0.065 0.000 2.141 400 L HA 0.296 4.639 4.340 0.005 0.000 0.209 400 L C 0.912 177.755 176.870 -0.045 0.000 1.094 400 L CA 1.431 56.248 54.840 -0.039 0.000 0.763 400 L CB -0.183 41.867 42.059 -0.016 0.000 0.908 400 L HN 0.444 nan 8.230 nan 0.000 0.437 401 N N -1.798 116.861 118.700 -0.069 0.000 2.321 401 N HA 0.246 4.989 4.740 0.005 0.000 0.299 401 N C 0.045 175.491 175.510 -0.107 0.000 1.048 401 N CA -0.078 52.946 53.050 -0.044 0.000 0.836 401 N CB 1.997 40.524 38.487 0.067 0.000 1.269 401 N HN -0.154 nan 8.380 nan 0.000 0.486 402 S N 0.135 115.805 115.700 -0.050 0.000 2.559 402 S HA 0.244 4.717 4.470 0.005 0.000 0.226 402 S C 1.283 175.922 174.600 0.064 0.000 1.000 402 S CA 0.040 58.217 58.200 -0.038 0.000 0.948 402 S CB 0.472 63.601 63.200 -0.118 0.000 0.870 402 S HN 0.920 nan 8.310 nan 0.000 0.497 403 G N 2.472 111.310 108.800 0.064 0.000 2.634 403 G HA2 -0.352 3.611 3.960 0.005 0.000 0.318 403 G HA3 -0.352 3.611 3.960 0.005 0.000 0.318 403 G C 0.290 175.097 174.900 -0.154 0.000 1.207 403 G CA 0.891 45.999 45.100 0.013 0.000 0.987 403 G HN 0.470 nan 8.290 nan 0.000 0.547 404 F N 1.347 121.385 119.950 0.146 0.000 2.664 404 F HA 0.471 5.000 4.527 0.004 0.000 0.301 404 F C 2.416 178.248 175.800 0.052 0.000 1.126 404 F CA 0.933 58.994 58.000 0.101 0.000 1.373 404 F CB 0.146 39.223 39.000 0.127 0.000 1.042 404 F HN 0.330 nan 8.300 nan 0.000 0.535 405 M N 0.055 119.658 119.600 0.005 0.000 2.106 405 M HA -0.152 4.331 4.480 0.005 0.000 0.259 405 M C 2.384 178.549 176.300 -0.225 0.000 1.068 405 M CA 2.303 57.326 55.300 -0.460 0.000 1.100 405 M CB -0.490 31.584 32.600 -0.876 0.000 1.351 405 M HN 0.302 nan 8.290 nan 0.000 0.404 406 G N -0.841 107.885 108.800 -0.122 0.000 2.394 406 G HA2 -0.109 3.854 3.960 0.005 0.000 0.214 406 G HA3 -0.109 3.854 3.960 0.005 0.000 0.214 406 G C 1.492 176.393 174.900 0.001 0.000 1.176 406 G CA 0.752 45.811 45.100 -0.070 0.000 0.786 406 G HN 0.624 nan 8.290 nan 0.000 0.533 407 A N -0.011 122.846 122.820 0.062 0.000 1.978 407 A HA -0.125 4.198 4.320 0.005 0.000 0.220 407 A C 2.274 179.925 177.584 0.112 0.000 1.170 407 A CA 2.095 54.202 52.037 0.115 0.000 0.636 407 A CB -0.425 18.722 19.000 0.246 0.000 0.810 407 A HN 0.398 nan 8.150 nan 0.000 0.448 408 Q N 0.024 119.904 119.800 0.133 0.000 2.084 408 Q HA -0.118 4.225 4.340 0.005 0.000 0.202 408 Q C 2.071 178.121 176.000 0.083 0.000 0.978 408 Q CA 2.025 57.907 55.803 0.132 0.000 0.844 408 Q CB -0.277 28.592 28.738 0.218 0.000 0.898 408 Q HN 0.436 nan 8.270 nan 0.000 0.426 409 V N 0.510 120.452 119.914 0.047 0.000 2.548 409 V HA -0.184 3.939 4.120 0.005 0.000 0.249 409 V C 2.333 178.445 176.094 0.029 0.000 1.055 409 V CA 1.932 64.249 62.300 0.029 0.000 1.065 409 V CB -0.736 31.086 31.823 -0.003 0.000 0.681 409 V HN 0.371 nan 8.190 nan 0.000 0.462 410 T N 0.525 115.097 114.554 0.030 0.000 2.746 410 T HA -0.182 4.171 4.350 0.005 0.000 0.267 410 T C 2.086 176.807 174.700 0.036 0.000 1.039 410 T CA 1.660 63.777 62.100 0.028 0.000 1.142 410 T CB -0.380 68.505 68.868 0.028 0.000 0.866 410 T HN 0.574 nan 8.240 nan 0.000 0.444 411 A N 1.251 124.098 122.820 0.046 0.000 1.908 411 A HA -0.144 4.178 4.320 0.005 0.000 0.218 411 A C 2.557 180.170 177.584 0.048 0.000 1.181 411 A CA 2.171 54.238 52.037 0.050 0.000 0.627 411 A CB -1.261 17.773 19.000 0.056 0.000 0.818 411 A HN 0.483 nan 8.150 nan 0.000 0.445 412 T N 0.304 114.886 114.554 0.046 0.000 2.746 412 T HA -0.017 4.335 4.350 0.005 0.000 0.267 412 T C 2.198 176.916 174.700 0.031 0.000 1.039 412 T CA 1.543 63.666 62.100 0.039 0.000 1.142 412 T CB -0.441 68.450 68.868 0.039 0.000 0.866 412 T HN 0.607 nan 8.240 nan 0.000 0.444 413 A N 1.229 124.066 122.820 0.028 0.000 1.933 413 A HA 0.025 4.348 4.320 0.005 0.000 0.218 413 A C 2.297 179.896 177.584 0.025 0.000 1.175 413 A CA 1.137 53.188 52.037 0.023 0.000 0.628 413 A CB -0.793 18.219 19.000 0.019 0.000 0.814 413 A HN 0.477 nan 8.150 nan 0.000 0.444 414 L N -1.149 120.094 121.223 0.032 0.000 2.056 414 L HA -0.148 4.194 4.340 0.005 0.000 0.207 414 L C 2.559 179.452 176.870 0.038 0.000 1.078 414 L CA 1.113 55.975 54.840 0.037 0.000 0.749 414 L CB -0.544 41.543 42.059 0.047 0.000 0.901 414 L HN 0.473 nan 8.230 nan 0.000 0.433 415 L N 0.393 121.639 121.223 0.038 0.000 2.017 415 L HA -0.121 4.222 4.340 0.005 0.000 0.208 415 L C 2.664 179.545 176.870 0.018 0.000 1.073 415 L CA 2.014 56.871 54.840 0.029 0.000 0.745 415 L CB -0.763 41.312 42.059 0.027 0.000 0.894 415 L HN 0.130 nan 8.230 nan 0.000 0.432 416 A N -0.812 122.019 122.820 0.018 0.000 1.940 416 A HA -0.302 4.021 4.320 0.005 0.000 0.219 416 A C 2.336 179.928 177.584 0.013 0.000 1.176 416 A CA 2.000 54.046 52.037 0.014 0.000 0.631 416 A CB -0.777 18.231 19.000 0.014 0.000 0.814 416 A HN 0.658 nan 8.150 nan 0.000 0.446 417 E N -0.691 119.519 120.200 0.017 0.000 2.072 417 E HA -0.168 4.184 4.350 0.005 0.000 0.191 417 E C 2.055 178.665 176.600 0.017 0.000 0.985 417 E CA 1.237 57.647 56.400 0.017 0.000 0.801 417 E CB -0.202 29.510 29.700 0.020 0.000 0.750 417 E HN 0.680 nan 8.360 nan 0.000 0.452 418 M N 0.042 119.653 119.600 0.019 0.000 2.108 418 M HA -0.188 4.295 4.480 0.005 0.000 0.261 418 M C 2.336 178.640 176.300 0.007 0.000 1.066 418 M CA 1.606 56.914 55.300 0.015 0.000 1.107 418 M CB -0.247 32.359 32.600 0.010 0.000 1.356 418 M HN 0.019 nan 8.290 nan 0.000 0.406 419 R N 0.139 120.641 120.500 0.003 0.000 2.193 419 R HA -0.040 4.303 4.340 0.005 0.000 0.229 419 R C 2.205 178.510 176.300 0.008 0.000 1.110 419 R CA 1.156 57.257 56.100 0.001 0.000 0.988 419 R CB -0.464 29.836 30.300 -0.001 0.000 0.871 419 R HN 0.385 nan 8.270 nan 0.000 0.458 420 A N 0.534 123.360 122.820 0.011 0.000 2.121 420 A HA -0.028 4.295 4.320 0.005 0.000 0.218 420 A C 0.748 178.342 177.584 0.016 0.000 1.154 420 A CA 0.882 52.926 52.037 0.012 0.000 0.679 420 A CB 0.093 19.099 19.000 0.011 0.000 0.795 420 A HN 0.101 nan 8.150 nan 0.000 0.458 421 T N 0.153 114.718 114.554 0.019 0.000 2.771 421 T HA 0.550 4.903 4.350 0.005 0.000 0.281 421 T C 0.451 175.171 174.700 0.035 0.000 0.982 421 T CA 0.064 62.179 62.100 0.026 0.000 0.978 421 T CB 1.513 70.395 68.868 0.024 0.000 0.930 421 T HN 0.365 nan 8.240 nan 0.000 0.447 422 G N 3.098 111.931 108.800 0.055 0.000 2.795 422 G HA2 0.674 4.637 3.960 0.005 0.000 0.267 422 G HA3 0.674 4.637 3.960 0.005 0.000 0.267 422 G C -2.646 172.303 174.900 0.081 0.000 1.362 422 G CA -1.610 43.528 45.100 0.063 0.000 1.048 422 G HN 0.434 nan 8.290 nan 0.000 0.547 423 P HA 0.264 nan 4.420 nan 0.000 0.266 423 P C 0.329 177.700 177.300 0.118 0.000 1.195 423 P CA 0.340 63.480 63.100 0.067 0.000 0.768 423 P CB 1.342 33.058 31.700 0.027 0.000 0.838 424 A N 1.974 124.864 122.820 0.117 0.000 1.997 424 A HA -0.040 4.283 4.320 0.005 0.000 0.212 424 A C 2.081 179.745 177.584 0.133 0.000 1.178 424 A CA 1.017 53.162 52.037 0.180 0.000 0.698 424 A CB -1.028 18.042 19.000 0.116 0.000 0.842 424 A HN 0.473 nan 8.150 nan 0.000 0.458 425 S N 0.610 116.340 115.700 0.051 0.000 2.402 425 S HA -0.196 4.276 4.470 0.005 0.000 0.233 425 S C 1.706 176.276 174.600 -0.049 0.000 1.030 425 S CA 1.641 59.849 58.200 0.013 0.000 1.003 425 S CB -0.701 62.505 63.200 0.009 0.000 0.813 425 S HN 0.793 nan 8.310 nan 0.000 0.477 426 I N -1.339 119.131 120.570 -0.166 0.000 3.444 426 I HA 0.046 4.218 4.170 0.005 0.000 0.287 426 I C 0.642 176.538 176.117 -0.369 0.000 1.302 426 I CA 0.985 62.119 61.300 -0.277 0.000 1.368 426 I CB -0.361 37.428 38.000 -0.353 0.000 1.048 426 I HN 0.169 nan 8.210 nan 0.000 0.487 427 H N 1.415 120.496 119.070 0.018 0.000 2.550 427 H HA 0.314 4.873 4.556 0.005 0.000 0.304 427 H C 0.565 175.905 175.328 0.020 0.000 1.086 427 H CA -0.221 55.838 56.048 0.018 0.000 1.089 427 H CB 0.079 29.852 29.762 0.018 0.000 1.528 427 H HN 0.290 nan 8.280 nan 0.000 0.539 428 S N 1.261 117.003 115.700 0.070 0.000 2.549 428 S HA 0.220 4.693 4.470 0.005 0.000 0.286 428 S C 0.271 174.908 174.600 0.062 0.000 1.314 428 S CA -0.274 57.963 58.200 0.061 0.000 1.062 428 S CB 0.010 63.232 63.200 0.036 0.000 0.865 428 S HN 0.306 nan 8.310 nan 0.000 0.498 429 I N 3.454 124.059 120.570 0.060 0.000 2.533 429 I HA 0.220 4.393 4.170 0.005 0.000 0.290 429 I C 0.069 176.213 176.117 0.044 0.000 1.056 429 I CA -0.625 60.705 61.300 0.051 0.000 1.057 429 I CB 2.114 40.145 38.000 0.052 0.000 1.240 429 I HN 0.579 nan 8.210 nan 0.000 0.423 430 S N 4.121 119.844 115.700 0.038 0.000 2.525 430 S HA 0.245 4.718 4.470 0.005 0.000 0.285 430 S C -0.186 174.436 174.600 0.036 0.000 1.283 430 S CA 0.419 58.641 58.200 0.036 0.000 1.072 430 S CB 0.238 63.457 63.200 0.031 0.000 0.867 430 S HN 0.776 nan 8.310 nan 0.000 0.492 431 T N 3.115 117.692 114.554 0.038 0.000 2.654 431 T HA 0.416 4.769 4.350 0.005 0.000 0.289 431 T C -0.306 174.418 174.700 0.039 0.000 1.062 431 T CA -0.114 62.008 62.100 0.037 0.000 1.041 431 T CB 0.793 69.684 68.868 0.039 0.000 1.417 431 T HN 0.906 nan 8.240 nan 0.000 0.510 432 N N 0.548 119.271 118.700 0.039 0.000 2.727 432 N HA -0.223 4.520 4.740 0.005 0.000 0.251 432 N C 0.276 175.809 175.510 0.037 0.000 1.040 432 N CA 0.787 53.862 53.050 0.042 0.000 0.712 432 N CB -1.193 37.325 38.487 0.051 0.000 0.912 432 N HN 1.561 nan 8.380 nan 0.000 0.545 433 A N -0.707 122.131 122.820 0.030 0.000 2.822 433 A HA 0.010 4.333 4.320 0.005 0.000 0.287 433 A C 1.337 178.938 177.584 0.028 0.000 1.479 433 A CA 2.049 54.101 52.037 0.025 0.000 0.779 433 A CB -2.273 16.740 19.000 0.022 0.000 1.022 433 A HN 2.244 nan 8.150 nan 0.000 0.532 434 A N -2.344 120.495 122.820 0.031 0.000 3.396 434 A HA -0.366 3.957 4.320 0.005 0.000 0.267 434 A C 1.414 179.020 177.584 0.037 0.000 1.139 434 A CA 2.060 54.116 52.037 0.031 0.000 1.115 434 A CB -2.531 16.485 19.000 0.026 0.000 1.133 434 A HN 2.234 nan 8.150 nan 0.000 0.920 435 N N -0.016 118.709 118.700 0.042 0.000 2.142 435 N HA -0.094 4.649 4.740 0.005 0.000 0.186 435 N C 1.005 176.549 175.510 0.056 0.000 1.023 435 N CA 1.869 54.949 53.050 0.050 0.000 0.852 435 N CB -0.163 38.359 38.487 0.057 0.000 0.998 435 N HN 0.748 nan 8.380 nan 0.000 0.424 436 Q N 0.531 120.364 119.800 0.055 0.000 3.091 436 Q HA 0.059 4.402 4.340 0.005 0.000 0.301 436 Q C -0.390 175.643 176.000 0.055 0.000 1.337 436 Q CA -0.279 55.561 55.803 0.062 0.000 1.083 436 Q CB 0.518 29.288 28.738 0.054 0.000 1.477 436 Q HN 0.517 nan 8.270 nan 0.000 0.537 437 D N -0.525 119.905 120.400 0.050 0.000 2.350 437 D HA -0.082 4.561 4.640 0.005 0.000 0.216 437 D C 0.658 176.983 176.300 0.041 0.000 0.968 437 D CA 0.435 54.460 54.000 0.041 0.000 0.894 437 D CB 0.086 40.907 40.800 0.034 0.000 0.909 437 D HN 0.197 nan 8.370 nan 0.000 0.520 438 V N -1.780 118.164 119.914 0.050 0.000 2.686 438 V HA 0.744 4.867 4.120 0.005 0.000 0.306 438 V C -0.421 175.711 176.094 0.063 0.000 1.065 438 V CA -1.193 61.136 62.300 0.048 0.000 0.894 438 V CB 1.853 33.699 31.823 0.038 0.000 1.004 438 V HN 0.103 nan 8.190 nan 0.000 0.424 439 V N 1.099 121.048 119.914 0.059 0.000 2.962 439 V HA 0.784 4.907 4.120 0.005 0.000 0.313 439 V C 1.036 177.167 176.094 0.062 0.000 1.099 439 V CA 0.268 62.609 62.300 0.070 0.000 0.971 439 V CB 1.480 33.341 31.823 0.064 0.000 1.028 439 V HN 1.301 nan 8.190 nan 0.000 0.430 440 S N 2.319 118.060 115.700 0.068 0.000 2.425 440 S HA 0.105 4.577 4.470 0.005 0.000 0.225 440 S C 1.132 175.764 174.600 0.054 0.000 1.024 440 S CA 1.040 59.273 58.200 0.056 0.000 0.951 440 S CB -0.863 62.373 63.200 0.061 0.000 0.796 440 S HN 1.381 nan 8.310 nan 0.000 0.498 441 L N 0.480 121.738 121.223 0.058 0.000 4.001 441 L HA -0.200 4.143 4.340 0.005 0.000 0.413 441 L C 1.495 178.398 176.870 0.054 0.000 1.185 441 L CA 0.031 54.907 54.840 0.059 0.000 0.963 441 L CB -2.252 39.851 42.059 0.073 0.000 1.976 441 L HN 0.530 nan 8.230 nan 0.000 0.939 442 G N -0.529 108.301 108.800 0.050 0.000 2.432 442 G HA2 -0.181 3.782 3.960 0.005 0.000 0.219 442 G HA3 -0.181 3.782 3.960 0.005 0.000 0.219 442 G C 1.280 176.206 174.900 0.043 0.000 1.135 442 G CA 1.309 46.436 45.100 0.045 0.000 0.767 442 G HN 0.470 nan 8.290 nan 0.000 0.550 443 T N 1.328 115.906 114.554 0.039 0.000 2.777 443 T HA -0.014 4.339 4.350 0.005 0.000 0.266 443 T C 2.369 177.091 174.700 0.036 0.000 1.040 443 T CA 0.869 62.989 62.100 0.033 0.000 1.141 443 T CB -0.106 68.777 68.868 0.025 0.000 0.868 443 T HN 0.264 nan 8.240 nan 0.000 0.444 444 I N 1.568 122.161 120.570 0.039 0.000 2.252 444 I HA -0.145 4.028 4.170 0.005 0.000 0.245 444 I C 3.023 179.169 176.117 0.049 0.000 1.102 444 I CA 1.049 62.373 61.300 0.041 0.000 1.385 444 I CB -0.533 37.493 38.000 0.044 0.000 1.064 444 I HN 0.211 nan 8.210 nan 0.000 0.414 445 A N 0.838 123.691 122.820 0.056 0.000 1.908 445 A HA -0.195 4.128 4.320 0.005 0.000 0.218 445 A C 2.536 180.156 177.584 0.061 0.000 1.181 445 A CA 1.998 54.071 52.037 0.061 0.000 0.627 445 A CB -0.828 18.208 19.000 0.061 0.000 0.818 445 A HN 0.440 nan 8.150 nan 0.000 0.445 446 A N -0.441 122.416 122.820 0.061 0.000 1.930 446 A HA -0.124 4.199 4.320 0.005 0.000 0.217 446 A C 2.241 179.862 177.584 0.062 0.000 1.175 446 A CA 1.451 53.530 52.037 0.070 0.000 0.627 446 A CB -0.414 18.627 19.000 0.068 0.000 0.815 446 A HN 0.547 nan 8.150 nan 0.000 0.443 447 R N -0.533 119.998 120.500 0.050 0.000 2.092 447 R HA 0.034 4.377 4.340 0.005 0.000 0.231 447 R C 1.960 178.287 176.300 0.046 0.000 1.119 447 R CA 1.242 57.369 56.100 0.045 0.000 0.970 447 R CB -0.419 29.901 30.300 0.034 0.000 0.864 447 R HN 0.495 nan 8.270 nan 0.000 0.440 448 L N -0.317 120.933 121.223 0.046 0.000 2.093 448 L HA -0.201 4.141 4.340 0.005 0.000 0.208 448 L C 2.724 179.622 176.870 0.047 0.000 1.085 448 L CA 0.724 55.590 54.840 0.044 0.000 0.755 448 L CB -0.493 41.593 42.059 0.045 0.000 0.904 448 L HN 0.370 nan 8.230 nan 0.000 0.435 449 C N 0.306 119.637 119.300 0.051 0.000 2.440 449 C HA -0.142 4.321 4.460 0.005 0.000 0.278 449 C C 3.088 178.114 174.990 0.061 0.000 1.295 449 C CA 0.785 59.831 59.018 0.048 0.000 1.738 449 C CB -0.535 27.232 27.740 0.045 0.000 1.987 449 C HN 0.484 nan 8.230 nan 0.000 0.492 450 R N 1.327 121.867 120.500 0.065 0.000 2.081 450 R HA -0.077 4.266 4.340 0.005 0.000 0.235 450 R C 2.111 178.457 176.300 0.077 0.000 1.131 450 R CA 2.011 58.156 56.100 0.076 0.000 0.960 450 R CB -0.842 29.501 30.300 0.071 0.000 0.856 450 R HN 0.528 nan 8.270 nan 0.000 0.436 451 E N 0.792 121.030 120.200 0.063 0.000 2.085 451 E HA -0.185 4.168 4.350 0.005 0.000 0.194 451 E C 1.863 178.506 176.600 0.073 0.000 0.994 451 E CA 1.417 57.853 56.400 0.060 0.000 0.801 451 E CB -0.138 29.590 29.700 0.046 0.000 0.743 451 E HN 0.437 nan 8.360 nan 0.000 0.453 452 K N 0.304 120.747 120.400 0.072 0.000 2.097 452 K HA -0.032 4.291 4.320 0.005 0.000 0.205 452 K C 2.319 179.010 176.600 0.151 0.000 1.050 452 K CA 0.802 57.137 56.287 0.081 0.000 0.938 452 K CB -0.139 32.387 32.500 0.042 0.000 0.718 452 K HN 0.103 nan 8.250 nan 0.000 0.442 453 I N 1.491 122.162 120.570 0.167 0.000 2.286 453 I HA -0.281 3.892 4.170 0.005 0.000 0.248 453 I C 1.598 177.835 176.117 0.199 0.000 1.115 453 I CA 1.171 62.624 61.300 0.255 0.000 1.392 453 I CB -0.250 37.864 38.000 0.191 0.000 1.065 453 I HN 0.149 nan 8.210 nan 0.000 0.418 454 D N 0.548 121.024 120.400 0.127 0.000 2.144 454 D HA -0.120 4.523 4.640 0.005 0.000 0.200 454 D C 2.336 178.689 176.300 0.089 0.000 0.978 454 D CA 0.887 54.937 54.000 0.084 0.000 0.833 454 D CB -0.198 40.640 40.800 0.064 0.000 0.961 454 D HN 0.189 nan 8.370 nan 0.000 0.470 455 R N -0.020 120.549 120.500 0.116 0.000 2.075 455 R HA -0.119 4.224 4.340 0.005 0.000 0.232 455 R C 2.136 178.546 176.300 0.182 0.000 1.126 455 R CA 0.486 56.654 56.100 0.114 0.000 0.963 455 R CB -1.042 29.317 30.300 0.098 0.000 0.858 455 R HN 0.341 nan 8.270 nan 0.000 0.435 456 W N 1.898 123.200 121.300 0.002 0.000 2.363 456 W HA -0.086 4.577 4.660 0.005 0.000 0.296 456 W C 2.073 178.585 176.519 -0.013 0.000 1.212 456 W CA 1.356 58.703 57.345 0.003 0.000 1.260 456 W CB -0.551 28.918 29.460 0.015 0.000 1.131 456 W HN 0.137 nan 8.180 nan 0.000 0.530 457 A N 0.042 122.852 122.820 -0.018 0.000 1.930 457 A HA -0.200 4.123 4.320 0.005 0.000 0.217 457 A C 1.863 179.357 177.584 -0.150 0.000 1.175 457 A CA 1.867 53.781 52.037 -0.204 0.000 0.627 457 A CB -0.695 18.213 19.000 -0.153 0.000 0.815 457 A HN 0.440 nan 8.150 nan 0.000 0.443 458 E N -0.359 119.812 120.200 -0.048 0.000 2.107 458 E HA -0.084 4.269 4.350 0.005 0.000 0.191 458 E C 1.813 178.395 176.600 -0.029 0.000 0.982 458 E CA 1.054 57.429 56.400 -0.042 0.000 0.809 458 E CB -0.223 29.477 29.700 -0.000 0.000 0.756 458 E HN 0.691 nan 8.360 nan 0.000 0.459 459 I N 0.800 121.389 120.570 0.032 0.000 2.252 459 I HA -0.268 3.905 4.170 0.005 0.000 0.245 459 I C 2.195 178.322 176.117 0.016 0.000 1.102 459 I CA 0.958 62.295 61.300 0.062 0.000 1.385 459 I CB -0.118 37.977 38.000 0.158 0.000 1.064 459 I HN 0.112 nan 8.210 nan 0.000 0.414 460 L N 0.376 121.577 121.223 -0.037 0.000 2.083 460 L HA -0.192 4.151 4.340 0.005 0.000 0.209 460 L C 2.810 179.569 176.870 -0.184 0.000 1.083 460 L CA 1.190 55.962 54.840 -0.113 0.000 0.752 460 L CB -0.653 41.242 42.059 -0.273 0.000 0.899 460 L HN 0.243 nan 8.230 nan 0.000 0.433 461 A N 0.331 123.016 122.820 -0.226 0.000 1.902 461 A HA -0.184 4.139 4.320 0.005 0.000 0.217 461 A C 2.206 179.669 177.584 -0.201 0.000 1.181 461 A CA 1.527 53.400 52.037 -0.273 0.000 0.623 461 A CB -0.618 18.233 19.000 -0.247 0.000 0.818 461 A HN 0.354 nan 8.150 nan 0.000 0.443 462 I N -0.846 119.654 120.570 -0.117 0.000 2.226 462 I HA -0.215 3.958 4.170 0.005 0.000 0.245 462 I C 2.421 178.470 176.117 -0.114 0.000 1.100 462 I CA 1.160 62.417 61.300 -0.073 0.000 1.374 462 I CB -0.261 37.733 38.000 -0.009 0.000 1.057 462 I HN 0.399 nan 8.210 nan 0.000 0.413 463 L N 1.245 122.416 121.223 -0.086 0.000 2.083 463 L HA -0.129 4.214 4.340 0.005 0.000 0.209 463 L C 2.532 179.342 176.870 -0.099 0.000 1.083 463 L CA 2.078 56.872 54.840 -0.076 0.000 0.752 463 L CB -0.768 41.287 42.059 -0.007 0.000 0.899 463 L HN 0.171 nan 8.230 nan 0.000 0.433 464 A N -0.464 122.293 122.820 -0.105 0.000 1.877 464 A HA -0.152 4.171 4.320 0.005 0.000 0.216 464 A C 2.254 179.766 177.584 -0.120 0.000 1.186 464 A CA 1.963 53.952 52.037 -0.081 0.000 0.620 464 A CB -0.891 18.021 19.000 -0.145 0.000 0.822 464 A HN 0.499 nan 8.150 nan 0.000 0.443 465 L N -0.922 120.191 121.223 -0.184 0.000 2.093 465 L HA -0.230 4.113 4.340 0.005 0.000 0.208 465 L C 2.715 179.390 176.870 -0.324 0.000 1.085 465 L CA 1.111 55.859 54.840 -0.154 0.000 0.755 465 L CB -0.686 41.340 42.059 -0.055 0.000 0.904 465 L HN 0.485 nan 8.230 nan 0.000 0.435 466 C N -0.163 118.805 119.300 -0.552 0.000 2.429 466 C HA -0.142 4.321 4.460 0.005 0.000 0.277 466 C C 2.749 177.526 174.990 -0.355 0.000 1.262 466 C CA 0.527 59.068 59.018 -0.796 0.000 1.733 466 C CB -0.736 26.665 27.740 -0.564 0.000 2.010 466 C HN 0.429 nan 8.230 nan 0.000 0.483 467 L N 0.910 122.022 121.223 -0.184 0.000 2.093 467 L HA -0.133 4.209 4.340 0.005 0.000 0.208 467 L C 2.852 179.704 176.870 -0.030 0.000 1.085 467 L CA 1.443 56.241 54.840 -0.071 0.000 0.755 467 L CB -0.698 41.355 42.059 -0.011 0.000 0.904 467 L HN 0.340 nan 8.230 nan 0.000 0.435 468 A N -0.265 122.543 122.820 -0.020 0.000 1.883 468 A HA -0.305 4.018 4.320 0.005 0.000 0.217 468 A C 2.222 179.831 177.584 0.042 0.000 1.186 468 A CA 2.061 54.118 52.037 0.034 0.000 0.624 468 A CB -0.542 18.496 19.000 0.063 0.000 0.822 468 A HN 0.429 nan 8.150 nan 0.000 0.444 469 Q N -0.427 119.395 119.800 0.036 0.000 2.079 469 Q HA 0.006 4.349 4.340 0.005 0.000 0.200 469 Q C 2.067 178.094 176.000 0.045 0.000 0.974 469 Q CA 2.021 57.879 55.803 0.091 0.000 0.840 469 Q CB -0.498 28.375 28.738 0.225 0.000 0.898 469 Q HN 0.550 nan 8.270 nan 0.000 0.430 470 A N 0.437 123.253 122.820 -0.007 0.000 1.902 470 A HA -0.082 4.241 4.320 0.005 0.000 0.217 470 A C 2.311 179.899 177.584 0.008 0.000 1.181 470 A CA 1.769 53.802 52.037 -0.007 0.000 0.623 470 A CB -1.227 17.754 19.000 -0.032 0.000 0.818 470 A HN 0.547 nan 8.150 nan 0.000 0.443 471 A N -0.108 122.720 122.820 0.014 0.000 1.940 471 A HA -0.196 4.127 4.320 0.005 0.000 0.219 471 A C 1.918 179.517 177.584 0.025 0.000 1.176 471 A CA 1.740 53.790 52.037 0.023 0.000 0.631 471 A CB -0.500 18.519 19.000 0.032 0.000 0.814 471 A HN 0.665 nan 8.150 nan 0.000 0.446 472 E N -0.329 119.889 120.200 0.031 0.000 2.112 472 E HA -0.035 4.318 4.350 0.005 0.000 0.190 472 E C 1.925 178.538 176.600 0.021 0.000 0.979 472 E CA 0.769 57.187 56.400 0.030 0.000 0.814 472 E CB -0.226 29.499 29.700 0.041 0.000 0.762 472 E HN 0.607 nan 8.360 nan 0.000 0.460 473 L N 0.562 121.796 121.223 0.018 0.000 2.056 473 L HA -0.156 4.187 4.340 0.005 0.000 0.207 473 L C 2.657 179.528 176.870 0.001 0.000 1.078 473 L CA 0.992 55.835 54.840 0.004 0.000 0.749 473 L CB -0.175 41.883 42.059 -0.002 0.000 0.901 473 L HN 0.021 nan 8.230 nan 0.000 0.433 474 R N -0.284 120.218 120.500 0.004 0.000 2.075 474 R HA -0.053 4.290 4.340 0.005 0.000 0.226 474 R C 1.776 178.080 176.300 0.007 0.000 1.114 474 R CA 1.649 57.751 56.100 0.003 0.000 0.972 474 R CB -0.376 29.926 30.300 0.004 0.000 0.869 474 R HN 0.359 nan 8.270 nan 0.000 0.437 475 C N 0.090 119.397 119.300 0.011 0.000 3.183 475 C HA 0.647 5.109 4.460 0.005 0.000 0.285 475 C C 0.602 175.600 174.990 0.014 0.000 1.313 475 C CA -0.328 58.698 59.018 0.013 0.000 1.711 475 C CB -0.721 27.029 27.740 0.017 0.000 2.135 475 C HN 0.741 nan 8.230 nan 0.000 0.651 476 G N 1.733 110.541 108.800 0.014 0.000 2.758 476 G HA2 -0.150 3.813 3.960 0.005 0.000 0.686 476 G HA3 -0.150 3.813 3.960 0.005 0.000 0.686 476 G C 0.729 175.641 174.900 0.019 0.000 1.389 476 G CA 0.098 45.207 45.100 0.014 0.000 0.845 476 G HN 0.795 nan 8.290 nan 0.000 0.572 477 S N -0.583 115.129 115.700 0.020 0.000 2.419 477 S HA 0.022 4.495 4.470 0.005 0.000 0.235 477 S C 2.390 177.004 174.600 0.023 0.000 1.019 477 S CA 1.949 60.163 58.200 0.024 0.000 0.982 477 S CB -0.244 62.969 63.200 0.022 0.000 0.789 477 S HN 2.201 nan 8.310 nan 0.000 0.490 478 G N 0.797 109.608 108.800 0.019 0.000 2.920 478 G HA2 0.354 4.317 3.960 0.005 0.000 0.208 478 G HA3 0.354 4.317 3.960 0.005 0.000 0.208 478 G C 0.534 175.446 174.900 0.020 0.000 1.159 478 G CA -0.095 45.017 45.100 0.019 0.000 0.784 478 G HN 0.611 nan 8.290 nan 0.000 0.535 479 L N 0.956 122.192 121.223 0.022 0.000 3.660 479 L HA -0.149 4.194 4.340 0.005 0.000 0.440 479 L C -0.823 176.059 176.870 0.020 0.000 1.262 479 L CA -0.076 54.778 54.840 0.023 0.000 0.837 479 L CB -1.650 40.426 42.059 0.028 0.000 1.689 479 L HN 0.226 nan 8.230 nan 0.000 0.890 480 D N 1.354 121.765 120.400 0.017 0.000 2.450 480 D HA 0.287 4.930 4.640 0.005 0.000 0.247 480 D C 1.356 177.666 176.300 0.016 0.000 1.162 480 D CA 1.333 55.342 54.000 0.015 0.000 0.879 480 D CB 1.346 42.154 40.800 0.013 0.000 1.163 480 D HN 0.542 nan 8.370 nan 0.000 0.472 481 G N 1.493 110.303 108.800 0.016 0.000 2.217 481 G HA2 -0.282 3.680 3.960 0.005 0.000 0.246 481 G HA3 -0.282 3.680 3.960 0.005 0.000 0.246 481 G C 0.470 175.383 174.900 0.021 0.000 0.990 481 G CA 0.028 45.138 45.100 0.017 0.000 0.627 481 G HN 0.521 nan 8.290 nan 0.000 0.522 482 V N 2.827 122.754 119.914 0.023 0.000 2.637 482 V HA 0.469 4.591 4.120 0.005 0.000 0.296 482 V C 1.520 177.630 176.094 0.027 0.000 1.046 482 V CA 0.225 62.542 62.300 0.028 0.000 1.066 482 V CB 1.317 33.158 31.823 0.030 0.000 0.968 482 V HN 1.102 nan 8.190 nan 0.000 0.483 483 S N 5.261 120.980 115.700 0.032 0.000 2.569 483 S HA 0.102 4.575 4.470 0.005 0.000 0.274 483 S C -1.698 172.917 174.600 0.024 0.000 1.353 483 S CA -0.577 57.641 58.200 0.030 0.000 1.023 483 S CB 0.396 63.620 63.200 0.039 0.000 0.876 483 S HN 0.585 nan 8.310 nan 0.000 0.540 484 P HA -0.043 nan 4.420 nan 0.000 0.215 484 P C 1.654 178.960 177.300 0.011 0.000 1.153 484 P CA 1.920 65.029 63.100 0.014 0.000 0.853 484 P CB -0.249 31.457 31.700 0.010 0.000 0.788 485 A N -0.228 122.597 122.820 0.008 0.000 1.902 485 A HA -0.075 4.248 4.320 0.005 0.000 0.217 485 A C 2.489 180.076 177.584 0.004 0.000 1.181 485 A CA 2.069 54.104 52.037 -0.004 0.000 0.623 485 A CB -1.893 17.100 19.000 -0.011 0.000 0.818 485 A HN 0.270 nan 8.150 nan 0.000 0.443 486 G N -0.356 108.456 108.800 0.020 0.000 2.418 486 G HA2 -0.231 3.732 3.960 0.005 0.000 0.217 486 G HA3 -0.231 3.732 3.960 0.005 0.000 0.217 486 G C 1.684 176.606 174.900 0.036 0.000 1.158 486 G CA 1.117 46.237 45.100 0.033 0.000 0.771 486 G HN 0.568 nan 8.290 nan 0.000 0.545 487 K N 0.154 120.573 120.400 0.031 0.000 2.057 487 K HA -0.056 4.267 4.320 0.005 0.000 0.207 487 K C 2.442 179.063 176.600 0.035 0.000 1.049 487 K CA 1.291 57.597 56.287 0.032 0.000 0.931 487 K CB -0.128 32.388 32.500 0.026 0.000 0.714 487 K HN 0.252 nan 8.250 nan 0.000 0.440 488 K N 1.320 121.736 120.400 0.026 0.000 2.097 488 K HA -0.111 4.212 4.320 0.005 0.000 0.206 488 K C 2.128 178.753 176.600 0.042 0.000 1.049 488 K CA 0.833 57.136 56.287 0.026 0.000 0.933 488 K CB -0.024 32.482 32.500 0.011 0.000 0.717 488 K HN 0.104 nan 8.250 nan 0.000 0.442 489 L N 0.540 121.788 121.223 0.042 0.000 2.027 489 L HA -0.149 4.194 4.340 0.005 0.000 0.206 489 L C 2.006 178.948 176.870 0.120 0.000 1.074 489 L CA 1.004 55.890 54.840 0.077 0.000 0.745 489 L CB -0.097 41.996 42.059 0.056 0.000 0.898 489 L HN -0.000 nan 8.230 nan 0.000 0.433 490 V N -0.035 119.935 119.914 0.094 0.000 2.358 490 V HA -0.291 3.832 4.120 0.005 0.000 0.246 490 V C 2.459 178.609 176.094 0.092 0.000 1.047 490 V CA 1.937 64.295 62.300 0.096 0.000 1.035 490 V CB -0.661 31.206 31.823 0.073 0.000 0.658 490 V HN 0.542 nan 8.190 nan 0.000 0.452 491 Q N 0.042 119.885 119.800 0.072 0.000 2.084 491 Q HA -0.181 4.162 4.340 0.005 0.000 0.202 491 Q C 2.422 178.462 176.000 0.066 0.000 0.978 491 Q CA 1.811 57.650 55.803 0.059 0.000 0.844 491 Q CB -0.438 28.326 28.738 0.043 0.000 0.898 491 Q HN 0.677 nan 8.270 nan 0.000 0.426 492 A N 0.858 123.727 122.820 0.082 0.000 1.898 492 A HA -0.139 4.183 4.320 0.005 0.000 0.216 492 A C 2.073 179.725 177.584 0.113 0.000 1.181 492 A CA 1.017 53.107 52.037 0.088 0.000 0.620 492 A CB -0.616 18.451 19.000 0.113 0.000 0.819 492 A HN 0.276 nan 8.150 nan 0.000 0.442 493 L N -1.046 120.279 121.223 0.171 0.000 2.046 493 L HA -0.141 4.202 4.340 0.005 0.000 0.208 493 L C 2.628 179.642 176.870 0.240 0.000 1.077 493 L CA 0.922 55.918 54.840 0.260 0.000 0.747 493 L CB -0.404 41.794 42.059 0.232 0.000 0.896 493 L HN 0.251 nan 8.230 nan 0.000 0.432 494 R N 0.270 120.858 120.500 0.147 0.000 2.285 494 R HA -0.119 4.224 4.340 0.005 0.000 0.213 494 R C 1.827 178.148 176.300 0.035 0.000 1.068 494 R CA 0.684 56.846 56.100 0.103 0.000 1.004 494 R CB -0.321 30.027 30.300 0.080 0.000 0.873 494 R HN 0.529 nan 8.270 nan 0.000 0.467 495 E N -0.027 120.179 120.200 0.010 0.000 2.208 495 E HA -0.125 4.228 4.350 0.005 0.000 0.193 495 E C 1.430 177.951 176.600 -0.131 0.000 0.988 495 E CA 0.771 57.144 56.400 -0.044 0.000 0.828 495 E CB 0.314 29.991 29.700 -0.038 0.000 0.763 495 E HN 0.228 nan 8.360 nan 0.000 0.478 496 Q N -1.208 118.451 119.800 -0.235 0.000 2.322 496 Q HA 0.129 4.472 4.340 0.005 0.000 0.250 496 Q C -0.365 175.178 176.000 -0.762 0.000 0.853 496 Q CA 0.294 55.763 55.803 -0.557 0.000 0.951 496 Q CB 0.896 29.125 28.738 -0.849 0.000 1.114 496 Q HN 0.109 nan 8.270 nan 0.000 0.523 497 F N 2.152 122.097 119.950 -0.009 0.000 2.434 497 F HA 0.431 4.961 4.527 0.005 0.000 0.355 497 F C -2.150 173.665 175.800 0.025 0.000 1.115 497 F CA -2.667 55.338 58.000 0.009 0.000 1.010 497 F CB 1.275 40.284 39.000 0.016 0.000 1.234 497 F HN -0.194 nan 8.300 nan 0.000 0.439 498 P HA 0.177 nan 4.420 nan 0.000 0.270 498 P C -2.485 174.888 177.300 0.123 0.000 1.223 498 P CA -0.991 62.167 63.100 0.097 0.000 0.785 498 P CB 0.139 31.872 31.700 0.055 0.000 0.923 499 P HA 0.081 nan 4.420 nan 0.000 0.270 499 P C -0.659 176.691 177.300 0.084 0.000 1.223 499 P CA -0.099 63.063 63.100 0.105 0.000 0.785 499 P CB 0.280 32.026 31.700 0.077 0.000 0.923 500 L N 2.443 123.720 121.223 0.090 0.000 2.358 500 L HA 0.134 4.477 4.340 0.005 0.000 0.274 500 L C 0.960 177.838 176.870 0.014 0.000 1.136 500 L CA 0.609 55.452 54.840 0.005 0.000 0.970 500 L CB -0.832 41.155 42.059 -0.121 0.000 1.314 500 L HN 0.326 nan 8.230 nan 0.000 0.427 501 E N 0.877 121.086 120.200 0.016 0.000 2.299 501 E HA 0.022 4.375 4.350 0.005 0.000 0.193 501 E C 0.290 176.900 176.600 0.017 0.000 0.998 501 E CA 0.479 56.891 56.400 0.020 0.000 0.851 501 E CB 0.332 30.044 29.700 0.020 0.000 0.795 501 E HN 0.563 nan 8.360 nan 0.000 0.492 502 T N 0.234 114.787 114.554 -0.001 0.000 2.889 502 T HA 0.113 4.466 4.350 0.005 0.000 0.315 502 T C -1.785 172.894 174.700 -0.036 0.000 1.291 502 T CA -0.994 61.105 62.100 -0.002 0.000 1.028 502 T CB 1.390 70.258 68.868 0.000 0.000 1.235 502 T HN -0.219 nan 8.240 nan 0.000 0.491 503 D N 2.796 123.171 120.400 -0.042 0.000 2.525 503 D HA 0.340 4.982 4.640 0.005 0.000 0.235 503 D C 0.596 176.855 176.300 -0.070 0.000 1.137 503 D CA 0.654 54.607 54.000 -0.078 0.000 0.868 503 D CB 0.378 41.139 40.800 -0.066 0.000 1.180 503 D HN 0.689 nan 8.370 nan 0.000 0.465 504 R N 0.291 120.737 120.500 -0.091 0.000 2.692 504 R HA 0.589 4.931 4.340 0.005 0.000 0.269 504 R C -3.159 173.102 176.300 -0.065 0.000 1.030 504 R CA -1.663 54.400 56.100 -0.061 0.000 0.882 504 R CB 0.273 30.547 30.300 -0.044 0.000 1.250 504 R HN 0.006 nan 8.270 nan 0.000 0.465 505 P HA 0.118 nan 4.420 nan 0.000 0.267 505 P C -0.285 177.003 177.300 -0.019 0.000 1.205 505 P CA -0.198 62.885 63.100 -0.029 0.000 0.765 505 P CB 0.578 32.269 31.700 -0.015 0.000 0.828 506 L N 1.685 122.897 121.223 -0.018 0.000 2.731 506 L HA 0.175 4.518 4.340 0.005 0.000 0.240 506 L C 2.321 179.202 176.870 0.019 0.000 1.120 506 L CA 0.399 55.242 54.840 0.005 0.000 0.913 506 L CB -0.341 41.719 42.059 0.002 0.000 1.213 506 L HN 0.530 nan 8.230 nan 0.000 0.515 507 G N 0.267 109.074 108.800 0.011 0.000 2.529 507 G HA2 -0.309 3.654 3.960 0.005 0.000 0.219 507 G HA3 -0.309 3.654 3.960 0.005 0.000 0.219 507 G C 1.409 176.322 174.900 0.021 0.000 1.177 507 G CA 0.787 45.895 45.100 0.013 0.000 0.773 507 G HN 0.383 nan 8.290 nan 0.000 0.573 508 Q N -0.144 119.674 119.800 0.030 0.000 2.119 508 Q HA -0.070 4.272 4.340 0.005 0.000 0.201 508 Q C 2.523 178.570 176.000 0.078 0.000 0.972 508 Q CA 1.262 57.092 55.803 0.044 0.000 0.847 508 Q CB -0.116 28.647 28.738 0.041 0.000 0.903 508 Q HN 0.623 nan 8.270 nan 0.000 0.433 509 E N 0.637 120.898 120.200 0.102 0.000 2.106 509 E HA -0.149 4.204 4.350 0.005 0.000 0.192 509 E C 1.966 178.570 176.600 0.007 0.000 0.984 509 E CA 0.748 57.258 56.400 0.183 0.000 0.806 509 E CB -0.021 29.805 29.700 0.211 0.000 0.750 509 E HN 0.329 nan 8.360 nan 0.000 0.458 510 I N 1.011 121.562 120.570 -0.033 0.000 2.179 510 I HA -0.290 3.882 4.170 0.005 0.000 0.242 510 I C 2.529 178.610 176.117 -0.060 0.000 1.088 510 I CA 1.040 62.291 61.300 -0.082 0.000 1.357 510 I CB -0.311 37.668 38.000 -0.035 0.000 1.051 510 I HN 0.103 nan 8.210 nan 0.000 0.409 511 A N 0.668 123.482 122.820 -0.010 0.000 1.902 511 A HA -0.152 4.171 4.320 0.005 0.000 0.217 511 A C 2.537 180.133 177.584 0.019 0.000 1.181 511 A CA 1.842 53.880 52.037 0.002 0.000 0.623 511 A CB -0.824 18.186 19.000 0.017 0.000 0.818 511 A HN 0.438 nan 8.150 nan 0.000 0.443 512 A N -0.517 122.341 122.820 0.064 0.000 1.877 512 A HA -0.035 4.288 4.320 0.005 0.000 0.216 512 A C 2.131 179.797 177.584 0.137 0.000 1.186 512 A CA 1.765 53.876 52.037 0.124 0.000 0.620 512 A CB -0.648 18.481 19.000 0.214 0.000 0.822 512 A HN 0.676 nan 8.150 nan 0.000 0.443 513 L N -0.184 121.075 121.223 0.060 0.000 2.046 513 L HA -0.029 4.314 4.340 0.005 0.000 0.208 513 L C 2.655 179.452 176.870 -0.121 0.000 1.077 513 L CA 2.112 56.905 54.840 -0.078 0.000 0.747 513 L CB -0.918 40.838 42.059 -0.505 0.000 0.896 513 L HN 0.352 nan 8.230 nan 0.000 0.432 514 A N -1.603 121.137 122.820 -0.134 0.000 1.940 514 A HA -0.226 4.097 4.320 0.005 0.000 0.219 514 A C 2.265 179.789 177.584 -0.099 0.000 1.176 514 A CA 2.328 54.275 52.037 -0.150 0.000 0.631 514 A CB -1.213 17.727 19.000 -0.100 0.000 0.814 514 A HN 0.508 nan 8.150 nan 0.000 0.446 515 T N -1.475 113.065 114.554 -0.024 0.000 2.788 515 T HA -0.155 4.197 4.350 0.005 0.000 0.268 515 T C 1.846 176.554 174.700 0.012 0.000 1.044 515 T CA 1.881 63.986 62.100 0.008 0.000 1.139 515 T CB -0.370 68.522 68.868 0.040 0.000 0.867 515 T HN 0.822 nan 8.240 nan 0.000 0.454 516 H N 1.039 120.071 119.070 -0.063 0.000 2.363 516 H HA 0.139 4.697 4.556 0.005 0.000 0.301 516 H C 2.008 177.271 175.328 -0.109 0.000 1.074 516 H CA 1.127 57.144 56.048 -0.052 0.000 1.354 516 H CB -0.470 29.287 29.762 -0.009 0.000 1.397 516 H HN 0.230 nan 8.280 nan 0.000 0.516 517 L N 0.014 121.044 121.223 -0.321 0.000 2.079 517 L HA -0.180 4.163 4.340 0.005 0.000 0.210 517 L C 2.331 179.043 176.870 -0.263 0.000 1.081 517 L CA 1.068 55.580 54.840 -0.547 0.000 0.752 517 L CB -0.511 41.059 42.059 -0.815 0.000 0.896 517 L HN 0.347 nan 8.230 nan 0.000 0.433 518 L N -0.783 120.328 121.223 -0.187 0.000 2.275 518 L HA -0.175 4.168 4.340 0.005 0.000 0.215 518 L C 2.271 179.110 176.870 -0.052 0.000 1.119 518 L CA 1.061 55.857 54.840 -0.073 0.000 0.790 518 L CB -0.203 41.844 42.059 -0.021 0.000 0.919 518 L HN 0.393 nan 8.230 nan 0.000 0.443 519 Q N -1.547 118.135 119.800 -0.195 0.000 2.316 519 Q HA 0.181 4.524 4.340 0.005 0.000 0.235 519 Q C 0.012 175.594 176.000 -0.698 0.000 0.863 519 Q CA 0.097 55.746 55.803 -0.258 0.000 0.939 519 Q CB 1.006 29.697 28.738 -0.077 0.000 1.108 519 Q HN 0.440 nan 8.270 nan 0.000 0.522 520 Q N -0.045 119.323 119.800 -0.720 0.000 2.345 520 Q HA 0.447 4.790 4.340 0.005 0.000 0.275 520 Q C -1.279 174.610 176.000 -0.185 0.000 1.063 520 Q CA -0.395 55.052 55.803 -0.594 0.000 0.819 520 Q CB 2.701 31.217 28.738 -0.369 0.000 1.356 520 Q HN -0.053 nan 8.270 nan 0.000 0.418 521 S N 2.237 117.886 115.700 -0.085 0.000 2.654 521 S HA 0.548 5.021 4.470 0.005 0.000 0.283 521 S C -2.367 172.009 174.600 -0.373 0.000 1.180 521 S CA -1.092 57.002 58.200 -0.177 0.000 1.021 521 S CB 0.813 63.970 63.200 -0.072 0.000 1.018 521 S HN 0.413 nan 8.310 nan 0.000 0.532 522 P HA 0.401 nan 4.420 nan 0.000 0.287 522 P C -1.084 176.010 177.300 -0.344 0.000 1.307 522 P CA -0.093 62.590 63.100 -0.695 0.000 0.777 522 P CB 0.518 31.494 31.700 -1.206 0.000 0.883 523 V N 0.000 119.810 119.914 -0.173 0.000 2.409 523 V HA 0.000 4.123 4.120 0.005 0.000 0.244 523 V CA 0.000 62.236 62.300 -0.106 0.000 1.235 523 V CB 0.000 31.775 31.823 -0.079 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556