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 3c8v_1_C DATA FIRST_RESID 0 DATA SEQUENCE GXTQLELLLE RIIDRVNVNL RHQKFDVGDY VRRQTPHLHY SKFYAFYGLS DATA SEQUENCE ADDPVHFHFK NSSLAGSYLL GRVNVLHSAL YKSDIRGDEL KRKGQHFVXX DATA SEQUENCE XKXIPLHDDE VITIKDSFLN KTLVHSNSHD PESPEEFTIR NTVAXPYANI DATA SEQUENCE HGSLTEGSFI GSFATVDLST IHNSVVRYFS YVQTGELVGK CVEPGQIWIK DATA SEQUENCE SGDELEFHYS FDKAILDKYI SQEAGSCPTG VLXEFVEVRQ EDFEEVFASG DATA SEQUENCE HXXXXXXSAS GASVSGYAVI KGDTVIGENV LVSQRAYLDN AWXGKGSNAQ DATA SEQUENCE ENCYIINSRL ERNCVTAHGG KIINAHLGDX IFTGFNSFLQ GSESSPLKIG DATA SEQUENCE DGCVVXPHTI IDLEEPLEIP AGHLVWGYIR NKADLAAHSI SFEEFAKVDG DATA SEQUENCE EVTXGRXTFR GKGGPFLDSF KKRIKRILSE NGAFFDGSEG TGHAQKXXNF DATA SEQUENCE TFNIIQPYQD GDPRGXYPTI LIQPNN 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 0 G C 0.000 174.865 174.900 -0.058 0.000 0.946 0 G CA 0.000 45.074 45.100 -0.043 0.000 0.502 3 Q N -0.495 119.231 119.800 -0.124 0.000 2.124 3 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 3 Q C 1.953 177.924 176.000 -0.047 0.000 0.977 3 Q CA 1.499 57.255 55.803 -0.078 0.000 0.850 3 Q CB -0.248 28.437 28.738 -0.088 0.000 0.901 3 Q HN 0.560 nan 8.270 nan 0.000 0.429 4 L N 1.118 122.312 121.223 -0.048 0.000 2.093 4 L HA -0.131 4.208 4.340 -0.000 0.000 0.208 4 L C 1.712 178.548 176.870 -0.057 0.000 1.085 4 L CA 1.809 56.623 54.840 -0.042 0.000 0.755 4 L CB -0.351 41.675 42.059 -0.055 0.000 0.904 4 L HN 0.125 nan 8.230 nan 0.000 0.435 5 E N -0.874 119.300 120.200 -0.044 0.000 2.106 5 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 5 E C 2.106 178.682 176.600 -0.040 0.000 0.984 5 E CA 1.221 57.599 56.400 -0.038 0.000 0.806 5 E CB -0.141 29.550 29.700 -0.014 0.000 0.750 5 E HN 0.383 nan 8.360 nan 0.000 0.458 6 L N 0.570 121.772 121.223 -0.035 0.000 2.179 6 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 6 L C 2.059 178.928 176.870 -0.003 0.000 1.096 6 L CA 0.773 55.600 54.840 -0.022 0.000 0.779 6 L CB -0.161 41.884 42.059 -0.024 0.000 0.922 6 L HN 0.143 nan 8.230 nan 0.000 0.443 7 L N -0.856 120.369 121.223 0.004 0.000 2.027 7 L HA -0.177 4.163 4.340 -0.000 0.000 0.206 7 L C 2.227 179.117 176.870 0.033 0.000 1.074 7 L CA 1.839 56.701 54.840 0.037 0.000 0.745 7 L CB -0.696 41.389 42.059 0.045 0.000 0.898 7 L HN 0.210 nan 8.230 nan 0.000 0.433 8 L N -0.610 120.611 121.223 -0.003 0.000 2.079 8 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 8 L C 2.642 179.489 176.870 -0.038 0.000 1.081 8 L CA 1.142 55.960 54.840 -0.037 0.000 0.752 8 L CB -0.706 41.288 42.059 -0.110 0.000 0.896 8 L HN 0.333 nan 8.230 nan 0.000 0.433 9 E N -0.126 120.057 120.200 -0.029 0.000 2.107 9 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 9 E C 2.488 179.086 176.600 -0.004 0.000 0.982 9 E CA 0.650 57.035 56.400 -0.024 0.000 0.809 9 E CB -0.070 29.615 29.700 -0.024 0.000 0.756 9 E HN 0.284 nan 8.360 nan 0.000 0.459 10 R N 0.367 120.874 120.500 0.011 0.000 2.096 10 R HA 0.015 4.355 4.340 -0.000 0.000 0.235 10 R C 2.565 178.886 176.300 0.035 0.000 1.127 10 R CA 0.936 57.050 56.100 0.024 0.000 0.968 10 R CB -0.995 29.329 30.300 0.039 0.000 0.861 10 R HN 0.327 nan 8.270 nan 0.000 0.440 11 I N 0.000 120.600 120.570 0.049 0.000 2.252 11 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 11 I C 2.328 178.481 176.117 0.059 0.000 1.102 11 I CA 1.606 62.950 61.300 0.073 0.000 1.385 11 I CB -0.344 37.720 38.000 0.107 0.000 1.064 11 I HN 0.166 nan 8.210 nan 0.000 0.414 12 I N 0.608 121.196 120.570 0.031 0.000 2.286 12 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 12 I C 2.009 178.145 176.117 0.031 0.000 1.115 12 I CA 1.362 62.678 61.300 0.027 0.000 1.392 12 I CB -0.356 37.639 38.000 -0.009 0.000 1.065 12 I HN 0.242 nan 8.210 nan 0.000 0.418 13 D N 0.487 120.899 120.400 0.019 0.000 2.123 13 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 13 D C 2.353 178.663 176.300 0.017 0.000 0.976 13 D CA 1.006 55.012 54.000 0.011 0.000 0.831 13 D CB -0.132 40.670 40.800 0.003 0.000 0.974 13 D HN 0.252 nan 8.370 nan 0.000 0.469 14 R N 0.320 120.835 120.500 0.025 0.000 2.075 14 R HA -0.027 4.313 4.340 -0.000 0.000 0.232 14 R C 2.289 178.607 176.300 0.030 0.000 1.126 14 R CA 0.637 56.751 56.100 0.023 0.000 0.963 14 R CB -0.311 30.006 30.300 0.029 0.000 0.858 14 R HN 0.105 nan 8.270 nan 0.000 0.435 15 V N 1.662 121.608 119.914 0.053 0.000 2.667 15 V HA -0.147 3.973 4.120 -0.000 0.000 0.252 15 V C 1.540 177.674 176.094 0.067 0.000 1.065 15 V CA 1.380 63.723 62.300 0.072 0.000 1.083 15 V CB -0.477 31.419 31.823 0.121 0.000 0.692 15 V HN 0.277 nan 8.190 nan 0.000 0.468 16 N N -0.026 118.707 118.700 0.055 0.000 2.331 16 N HA -0.065 4.675 4.740 -0.000 0.000 0.180 16 N C 1.622 177.137 175.510 0.008 0.000 1.019 16 N CA 0.780 53.856 53.050 0.043 0.000 0.881 16 N CB -0.044 38.457 38.487 0.023 0.000 0.972 16 N HN 0.308 nan 8.380 nan 0.000 0.435 17 V N 0.706 120.618 119.914 -0.003 0.000 2.591 17 V HA -0.092 4.028 4.120 -0.000 0.000 0.249 17 V C 1.449 177.514 176.094 -0.048 0.000 1.053 17 V CA 1.198 63.479 62.300 -0.031 0.000 1.068 17 V CB -0.404 31.407 31.823 -0.021 0.000 0.689 17 V HN 0.296 nan 8.190 nan 0.000 0.462 18 N N -0.300 118.386 118.700 -0.024 0.000 2.270 18 N HA 0.033 4.773 4.740 -0.000 0.000 0.181 18 N C 1.290 176.779 175.510 -0.035 0.000 1.016 18 N CA 0.829 53.856 53.050 -0.039 0.000 0.870 18 N CB 0.050 38.511 38.487 -0.043 0.000 0.979 18 N HN 0.334 nan 8.380 nan 0.000 0.431 19 L N 1.037 122.259 121.223 -0.003 0.000 2.741 19 L HA 0.216 4.556 4.340 -0.000 0.000 0.237 19 L C 1.616 178.502 176.870 0.027 0.000 1.178 19 L CA -0.139 54.722 54.840 0.035 0.000 0.973 19 L CB 0.022 42.140 42.059 0.098 0.000 1.255 19 L HN 0.244 nan 8.230 nan 0.000 0.498 20 R N -1.498 118.960 120.500 -0.070 0.000 2.237 20 R HA -0.118 4.222 4.340 -0.000 0.000 0.219 20 R C 1.055 177.278 176.300 -0.128 0.000 1.080 20 R CA 0.999 57.021 56.100 -0.130 0.000 0.995 20 R CB -0.322 29.841 30.300 -0.229 0.000 0.875 20 R HN 0.383 nan 8.270 nan 0.000 0.462 21 H N 0.660 119.755 119.070 0.042 0.000 2.533 21 H HA 0.177 4.733 4.556 -0.000 0.000 0.271 21 H C 0.650 176.006 175.328 0.048 0.000 1.000 21 H CA 0.400 56.472 56.048 0.040 0.000 1.149 21 H CB 0.618 30.401 29.762 0.036 0.000 1.375 21 H HN 0.493 nan 8.280 nan 0.000 0.582 22 Q N -0.267 119.620 119.800 0.145 0.000 2.140 22 Q HA 0.099 4.439 4.340 -0.000 0.000 0.227 22 Q C 0.210 176.297 176.000 0.145 0.000 0.798 22 Q CA -0.204 55.681 55.803 0.137 0.000 0.987 22 Q CB 1.221 30.034 28.738 0.126 0.000 1.161 22 Q HN 0.086 nan 8.270 nan 0.000 0.480 23 K N 0.586 121.050 120.400 0.107 0.000 3.048 23 K HA -0.205 4.115 4.320 -0.000 0.000 0.274 23 K C -0.538 176.109 176.600 0.078 0.000 1.098 23 K CA 0.421 56.748 56.287 0.068 0.000 0.807 23 K CB -1.406 31.125 32.500 0.051 0.000 1.217 23 K HN 0.180 nan 8.250 nan 0.000 0.477 24 F N 1.545 121.481 119.950 -0.024 0.000 2.445 24 F HA 0.141 4.668 4.527 -0.000 0.000 0.359 24 F C 0.521 176.290 175.800 -0.053 0.000 1.101 24 F CA -0.521 57.447 58.000 -0.053 0.000 1.177 24 F CB 0.621 39.567 39.000 -0.090 0.000 1.110 24 F HN -0.033 nan 8.300 nan 0.000 0.522 25 D N 5.047 125.192 120.400 -0.425 0.000 2.349 25 D HA 0.186 4.826 4.640 -0.000 0.000 0.232 25 D C 0.504 176.647 176.300 -0.261 0.000 1.071 25 D CA -0.405 53.452 54.000 -0.238 0.000 0.832 25 D CB 1.597 42.279 40.800 -0.197 0.000 1.086 25 D HN 0.361 nan 8.370 nan 0.000 0.504 26 V N 2.224 122.146 119.914 0.013 0.000 3.649 26 V HA 0.312 4.432 4.120 -0.000 0.000 0.275 26 V C 1.833 178.048 176.094 0.202 0.000 1.281 26 V CA 0.957 63.376 62.300 0.199 0.000 1.143 26 V CB -0.033 31.973 31.823 0.304 0.000 0.892 26 V HN 0.493 nan 8.190 nan 0.000 0.441 27 G N 0.813 109.644 108.800 0.052 0.000 2.476 27 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 27 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 27 G C 1.129 176.009 174.900 -0.035 0.000 1.164 27 G CA 1.324 46.418 45.100 -0.009 0.000 0.768 27 G HN 0.546 nan 8.290 nan 0.000 0.560 28 D N -1.107 119.246 120.400 -0.079 0.000 2.340 28 D HA 0.097 4.737 4.640 -0.000 0.000 0.220 28 D C 1.209 177.393 176.300 -0.192 0.000 1.039 28 D CA 0.091 53.985 54.000 -0.176 0.000 0.866 28 D CB 0.110 40.753 40.800 -0.261 0.000 0.913 28 D HN 0.467 nan 8.370 nan 0.000 0.523 29 Y N -0.583 119.721 120.300 0.007 0.000 2.500 29 Y HA 0.059 4.609 4.550 -0.000 0.000 0.270 29 Y C 2.016 177.933 175.900 0.028 0.000 1.134 29 Y CA 0.092 58.260 58.100 0.113 0.000 1.293 29 Y CB 0.612 39.269 38.460 0.328 0.000 1.063 29 Y HN -0.163 nan 8.280 nan 0.000 0.534 30 V N -1.070 118.837 119.914 -0.012 0.000 2.840 30 V HA 0.089 4.209 4.120 -0.000 0.000 0.234 30 V C 0.999 176.857 176.094 -0.394 0.000 1.159 30 V CA -0.146 61.882 62.300 -0.453 0.000 1.194 30 V CB -0.100 31.439 31.823 -0.474 0.000 0.971 30 V HN -0.004 nan 8.190 nan 0.000 0.494 31 R N 2.253 122.619 120.500 -0.222 0.000 2.640 31 R HA 0.231 4.571 4.340 -0.000 0.000 0.270 31 R C 0.084 176.314 176.300 -0.116 0.000 1.024 31 R CA 0.314 56.321 56.100 -0.157 0.000 1.085 31 R CB 0.388 30.620 30.300 -0.113 0.000 0.963 31 R HN 0.644 nan 8.270 nan 0.000 0.426 32 R N 0.313 120.753 120.500 -0.100 0.000 2.829 32 R HA 0.302 4.642 4.340 -0.000 0.000 0.267 32 R C -1.522 174.737 176.300 -0.068 0.000 1.051 32 R CA -0.786 55.267 56.100 -0.079 0.000 0.927 32 R CB 0.267 30.524 30.300 -0.072 0.000 1.292 32 R HN 0.517 nan 8.270 nan 0.000 0.445 33 Q N 0.431 120.190 119.800 -0.067 0.000 2.286 33 Q HA 0.286 4.626 4.340 -0.000 0.000 0.267 33 Q C 0.297 176.248 176.000 -0.081 0.000 1.028 33 Q CA 0.106 55.871 55.803 -0.062 0.000 0.901 33 Q CB -0.354 28.348 28.738 -0.060 0.000 1.183 33 Q HN 0.955 nan 8.270 nan 0.000 0.392 34 T N 1.376 115.878 114.554 -0.087 0.000 2.817 34 T HA -0.132 4.218 4.350 -0.000 0.000 0.463 34 T C -1.244 173.275 174.700 -0.301 0.000 0.778 34 T CA 0.236 62.189 62.100 -0.246 0.000 2.609 34 T CB -1.108 67.572 68.868 -0.314 0.000 1.527 34 T HN 0.746 nan 8.240 nan 0.000 0.470 35 P HA -0.142 nan 4.420 nan 0.000 0.223 35 P C 1.730 178.983 177.300 -0.077 0.000 1.151 35 P CA 1.585 64.622 63.100 -0.106 0.000 0.787 35 P CB -0.179 31.335 31.700 -0.310 0.000 0.788 36 H N -0.389 118.662 119.070 -0.032 0.000 2.456 36 H HA 0.031 4.587 4.556 -0.000 0.000 0.296 36 H C 1.851 177.237 175.328 0.097 0.000 1.079 36 H CA 0.657 56.712 56.048 0.012 0.000 1.322 36 H CB -1.153 28.599 29.762 -0.016 0.000 1.388 36 H HN 0.164 nan 8.280 nan 0.000 0.538 37 L N 0.043 121.107 121.223 -0.265 0.000 2.209 37 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 37 L C 2.713 179.635 176.870 0.086 0.000 1.094 37 L CA 1.063 55.850 54.840 -0.089 0.000 0.790 37 L CB -0.376 41.575 42.059 -0.180 0.000 0.932 37 L HN 0.303 nan 8.230 nan 0.000 0.447 38 H N -0.933 118.192 119.070 0.092 0.000 2.384 38 H HA -0.115 4.441 4.556 -0.000 0.000 0.300 38 H C 1.912 177.520 175.328 0.466 0.000 1.057 38 H CA 1.552 57.752 56.048 0.252 0.000 1.370 38 H CB 0.028 29.958 29.762 0.280 0.000 1.417 38 H HN 0.106 nan 8.280 nan 0.000 0.527 39 Y N 0.542 120.947 120.300 0.175 0.000 2.439 39 Y HA -0.056 4.494 4.550 -0.000 0.000 0.292 39 Y C 2.650 178.693 175.900 0.239 0.000 1.130 39 Y CA 1.157 59.410 58.100 0.255 0.000 1.254 39 Y CB -0.300 38.298 38.460 0.232 0.000 1.000 39 Y HN 0.376 nan 8.280 nan 0.000 0.554 40 S N -1.191 114.658 115.700 0.248 0.000 2.603 40 S HA -0.008 4.462 4.470 -0.000 0.000 0.220 40 S C 1.501 176.072 174.600 -0.049 0.000 0.967 40 S CA 0.150 58.407 58.200 0.095 0.000 0.920 40 S CB -0.148 63.097 63.200 0.076 0.000 0.773 40 S HN 0.333 nan 8.310 nan 0.000 0.529 41 K N 0.050 120.352 120.400 -0.164 0.000 2.426 41 K HA 0.259 4.579 4.320 -0.000 0.000 0.193 41 K C -0.756 175.359 176.600 -0.809 0.000 1.028 41 K CA 0.240 56.213 56.287 -0.522 0.000 1.047 41 K CB 0.113 32.183 32.500 -0.717 0.000 0.821 41 K HN 0.393 nan 8.250 nan 0.000 0.513 42 F N -0.535 119.283 119.950 -0.221 0.000 2.523 42 F HA 0.341 4.868 4.527 -0.000 0.000 0.329 42 F C 0.113 175.811 175.800 -0.169 0.000 1.061 42 F CA -1.279 56.566 58.000 -0.259 0.000 0.967 42 F CB 0.717 39.592 39.000 -0.209 0.000 1.218 42 F HN -0.205 nan 8.300 nan 0.000 0.480 43 Y N 0.557 120.863 120.300 0.011 0.000 2.496 43 Y HA 0.743 5.293 4.550 -0.000 0.000 0.331 43 Y C 0.265 175.923 175.900 -0.403 0.000 1.140 43 Y CA -1.925 56.032 58.100 -0.238 0.000 1.166 43 Y CB 1.051 39.203 38.460 -0.513 0.000 1.249 43 Y HN 0.653 nan 8.280 nan 0.000 0.479 44 A N 1.401 124.002 122.820 -0.366 0.000 2.346 44 A HA 0.913 5.233 4.320 -0.000 0.000 0.313 44 A C -1.827 175.140 177.584 -1.028 0.000 1.140 44 A CA -0.572 51.076 52.037 -0.648 0.000 0.826 44 A CB 0.794 19.419 19.000 -0.626 0.000 1.332 44 A HN 0.536 nan 8.150 nan 0.000 0.457 45 F N -0.206 119.418 119.950 -0.543 0.000 2.581 45 F HA 0.529 5.056 4.527 -0.000 0.000 0.311 45 F C -0.634 175.061 175.800 -0.176 0.000 1.113 45 F CA -0.379 57.365 58.000 -0.426 0.000 0.935 45 F CB 1.954 40.484 39.000 -0.782 0.000 1.232 45 F HN 0.642 nan 8.300 nan 0.000 0.445 46 Y N -0.017 120.343 120.300 0.099 0.000 2.446 46 Y HA 0.881 5.431 4.550 -0.000 0.000 0.345 46 Y C -0.131 175.888 175.900 0.199 0.000 0.984 46 Y CA -2.038 56.038 58.100 -0.041 0.000 1.058 46 Y CB 1.308 39.419 38.460 -0.581 0.000 1.220 46 Y HN 0.755 nan 8.280 nan 0.000 0.455 47 G N 3.444 112.401 108.800 0.261 0.000 2.364 47 G HA2 0.425 4.385 3.960 -0.000 0.000 0.267 47 G HA3 0.425 4.385 3.960 -0.000 0.000 0.267 47 G C -1.663 173.330 174.900 0.154 0.000 1.233 47 G CA -0.442 44.540 45.100 -0.197 0.000 0.885 47 G HN 0.713 nan 8.290 nan 0.000 0.490 48 L N 2.611 123.879 121.223 0.074 0.000 2.325 48 L HA 0.709 5.049 4.340 -0.000 0.000 0.281 48 L C -0.045 176.913 176.870 0.148 0.000 1.004 48 L CA -0.488 54.461 54.840 0.182 0.000 0.823 48 L CB 2.110 44.294 42.059 0.210 0.000 1.236 48 L HN 0.451 nan 8.230 nan 0.000 0.415 49 S N 3.023 118.799 115.700 0.127 0.000 2.521 49 S HA 0.734 5.204 4.470 -0.000 0.000 0.295 49 S C 0.819 175.472 174.600 0.087 0.000 1.098 49 S CA 0.000 58.277 58.200 0.127 0.000 0.999 49 S CB 1.733 65.013 63.200 0.134 0.000 1.034 49 S HN 0.857 nan 8.310 nan 0.000 0.483 50 A N 3.291 126.157 122.820 0.077 0.000 2.066 50 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 50 A C 1.410 179.021 177.584 0.045 0.000 1.157 50 A CA 1.243 53.313 52.037 0.055 0.000 0.670 50 A CB -0.317 18.710 19.000 0.046 0.000 0.804 50 A HN 0.828 nan 8.150 nan 0.000 0.453 51 D N -0.253 120.178 120.400 0.052 0.000 2.259 51 D HA 0.027 4.667 4.640 -0.000 0.000 0.216 51 D C -0.242 176.080 176.300 0.036 0.000 0.961 51 D CA 0.553 54.578 54.000 0.043 0.000 0.878 51 D CB -0.017 40.812 40.800 0.049 0.000 1.009 51 D HN 0.219 nan 8.370 nan 0.000 0.490 52 D N 1.251 121.676 120.400 0.041 0.000 2.329 52 D HA 0.240 4.880 4.640 -0.000 0.000 0.232 52 D C -2.431 173.870 176.300 0.002 0.000 1.088 52 D CA -1.705 52.307 54.000 0.020 0.000 0.835 52 D CB 1.850 42.663 40.800 0.022 0.000 1.078 52 D HN -0.156 nan 8.370 nan 0.000 0.495 53 P HA -0.075 nan 4.420 nan 0.000 0.258 53 P C -0.032 177.236 177.300 -0.052 0.000 1.187 53 P CA -0.071 63.017 63.100 -0.020 0.000 0.767 53 P CB 0.497 32.183 31.700 -0.023 0.000 0.770 54 V N 5.207 125.090 119.914 -0.051 0.000 2.585 54 V HA 0.068 4.188 4.120 -0.000 0.000 0.296 54 V C -0.210 175.781 176.094 -0.171 0.000 1.035 54 V CA 0.370 62.595 62.300 -0.126 0.000 1.084 54 V CB -0.232 31.579 31.823 -0.021 0.000 0.953 54 V HN 0.628 nan 8.190 nan 0.000 0.483 55 H N 5.975 124.745 119.070 -0.501 0.000 3.018 55 H HA 0.622 5.178 4.556 -0.000 0.000 0.334 55 H C -1.762 173.071 175.328 -0.826 0.000 0.983 55 H CA -0.570 55.191 56.048 -0.479 0.000 1.363 55 H CB 1.082 30.659 29.762 -0.308 0.000 1.668 55 H HN 0.538 nan 8.280 nan 0.000 0.513 56 F N 3.367 122.791 119.950 -0.878 0.000 2.581 56 F HA 0.320 4.847 4.527 -0.000 0.000 0.311 56 F C -0.806 174.361 175.800 -1.055 0.000 1.113 56 F CA -0.695 56.716 58.000 -0.981 0.000 0.935 56 F CB 1.920 40.288 39.000 -1.054 0.000 1.232 56 F HN 0.658 nan 8.300 nan 0.000 0.445 57 H N 3.152 121.733 119.070 -0.815 0.000 3.078 57 H HA 0.562 5.118 4.556 -0.000 0.000 0.319 57 H C -1.941 173.207 175.328 -0.301 0.000 0.995 57 H CA -1.172 54.573 56.048 -0.505 0.000 1.417 57 H CB 0.493 30.123 29.762 -0.221 0.000 1.598 57 H HN 0.286 nan 8.280 nan 0.000 0.515 58 F N 4.223 123.999 119.950 -0.290 0.000 2.347 58 F HA 0.386 4.913 4.527 -0.000 0.000 0.366 58 F C 0.138 175.733 175.800 -0.343 0.000 1.107 58 F CA -0.857 56.975 58.000 -0.280 0.000 1.058 58 F CB 1.241 40.123 39.000 -0.198 0.000 1.236 58 F HN 0.350 nan 8.300 nan 0.000 0.456 59 K N 2.656 122.934 120.400 -0.205 0.000 2.463 59 K HA 0.366 4.686 4.320 -0.000 0.000 0.255 59 K C -0.119 176.336 176.600 -0.242 0.000 0.942 59 K CA -0.443 55.701 56.287 -0.239 0.000 0.814 59 K CB 0.705 33.002 32.500 -0.339 0.000 1.122 59 K HN 0.652 nan 8.250 nan 0.000 0.425 60 N N 1.256 119.840 118.700 -0.194 0.000 2.747 60 N HA -0.162 4.578 4.740 -0.000 0.000 0.249 60 N C -1.486 173.921 175.510 -0.171 0.000 1.107 60 N CA 1.237 54.127 53.050 -0.265 0.000 0.707 60 N CB -0.492 37.554 38.487 -0.735 0.000 1.054 60 N HN 0.461 nan 8.380 nan 0.000 0.555 61 S N -1.402 114.266 115.700 -0.054 0.000 2.677 61 S HA 0.697 5.167 4.470 -0.000 0.000 0.304 61 S C -0.362 174.289 174.600 0.085 0.000 1.108 61 S CA -0.708 57.489 58.200 -0.003 0.000 0.944 61 S CB 2.321 65.490 63.200 -0.051 0.000 1.127 61 S HN 0.117 nan 8.310 nan 0.000 0.511 62 S N 0.334 116.092 115.700 0.097 0.000 2.482 62 S HA 0.624 5.094 4.470 -0.000 0.000 0.303 62 S C -0.340 174.228 174.600 -0.052 0.000 1.091 62 S CA -0.686 57.636 58.200 0.203 0.000 1.057 62 S CB 0.234 63.651 63.200 0.362 0.000 1.031 62 S HN 0.612 nan 8.310 nan 0.000 0.485 63 L N 3.150 124.155 121.223 -0.364 0.000 3.069 63 L HA 0.447 4.787 4.340 -0.000 0.000 0.271 63 L C 0.858 177.480 176.870 -0.414 0.000 1.201 63 L CA -0.520 53.960 54.840 -0.601 0.000 1.015 63 L CB 0.053 41.425 42.059 -1.145 0.000 1.371 63 L HN 0.728 nan 8.230 nan 0.000 0.574 64 A N 0.909 123.671 122.820 -0.096 0.000 2.558 64 A HA 0.279 4.599 4.320 -0.000 0.000 0.262 64 A C 1.559 178.887 177.584 -0.427 0.000 1.049 64 A CA 1.142 53.120 52.037 -0.099 0.000 0.804 64 A CB -0.690 18.253 19.000 -0.096 0.000 0.957 64 A HN 0.784 nan 8.150 nan 0.000 0.520 65 G N 2.323 110.925 108.800 -0.329 0.000 2.159 65 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.256 65 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.256 65 G C 0.466 175.161 174.900 -0.342 0.000 0.977 65 G CA 0.476 45.348 45.100 -0.380 0.000 0.652 65 G HN 1.224 nan 8.290 nan 0.000 0.531 66 S N -0.817 114.658 115.700 -0.375 0.000 2.652 66 S HA 0.744 5.214 4.470 -0.000 0.000 0.270 66 S C -0.634 173.757 174.600 -0.349 0.000 1.243 66 S CA -0.215 57.806 58.200 -0.298 0.000 0.999 66 S CB 1.059 64.062 63.200 -0.327 0.000 0.973 66 S HN 0.314 nan 8.310 nan 0.000 0.544 67 Y N 0.646 120.794 120.300 -0.254 0.000 2.361 67 Y HA 0.561 5.111 4.550 -0.000 0.000 0.337 67 Y C -0.887 174.953 175.900 -0.099 0.000 0.965 67 Y CA -0.786 57.169 58.100 -0.242 0.000 1.091 67 Y CB 1.005 39.165 38.460 -0.500 0.000 1.182 67 Y HN 0.331 nan 8.280 nan 0.000 0.450 68 L N 4.948 126.253 121.223 0.137 0.000 2.362 68 L HA 0.675 5.015 4.340 -0.000 0.000 0.275 68 L C -1.216 175.880 176.870 0.377 0.000 0.998 68 L CA -0.606 54.348 54.840 0.190 0.000 0.820 68 L CB 1.943 44.049 42.059 0.078 0.000 1.270 68 L HN 0.494 nan 8.230 nan 0.000 0.415 69 L N 2.473 123.900 121.223 0.340 0.000 2.408 69 L HA 1.001 5.341 4.340 -0.000 0.000 0.268 69 L C 0.217 177.191 176.870 0.174 0.000 0.986 69 L CA 0.509 55.480 54.840 0.218 0.000 0.820 69 L CB 1.803 43.870 42.059 0.014 0.000 1.303 69 L HN 0.786 nan 8.230 nan 0.000 0.411 70 G N 3.444 112.274 108.800 0.051 0.000 2.660 70 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 70 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 70 G C -0.754 174.038 174.900 -0.179 0.000 1.345 70 G CA -0.423 44.643 45.100 -0.056 0.000 0.877 70 G HN 0.757 nan 8.290 nan 0.000 0.549 71 R N -0.315 120.115 120.500 -0.117 0.000 2.272 71 R HA 0.459 4.799 4.340 -0.000 0.000 0.334 71 R C -0.290 176.036 176.300 0.043 0.000 1.117 71 R CA -0.229 55.818 56.100 -0.088 0.000 0.966 71 R CB 0.693 30.944 30.300 -0.081 0.000 1.049 71 R HN 0.445 nan 8.270 nan 0.000 0.477 72 V N 3.446 123.419 119.914 0.098 0.000 2.588 72 V HA 0.281 4.401 4.120 -0.000 0.000 0.304 72 V C -0.480 175.754 176.094 0.233 0.000 1.042 72 V CA -1.143 61.289 62.300 0.220 0.000 0.877 72 V CB 2.032 34.082 31.823 0.378 0.000 0.996 72 V HN 0.687 nan 8.190 nan 0.000 0.425 73 N N 3.000 121.823 118.700 0.206 0.000 2.392 73 N HA 0.582 5.322 4.740 -0.000 0.000 0.283 73 N C -0.992 174.624 175.510 0.176 0.000 1.003 73 N CA -0.294 52.874 53.050 0.196 0.000 0.892 73 N CB 2.488 41.110 38.487 0.225 0.000 1.193 73 N HN 0.418 nan 8.380 nan 0.000 0.487 74 V N 3.557 123.594 119.914 0.205 0.000 2.378 74 V HA 0.490 4.610 4.120 -0.000 0.000 0.288 74 V C -0.176 175.960 176.094 0.070 0.000 1.016 74 V CA -0.668 61.720 62.300 0.146 0.000 0.840 74 V CB 1.345 33.253 31.823 0.142 0.000 0.994 74 V HN 0.419 nan 8.190 nan 0.000 0.431 75 L N 4.775 126.046 121.223 0.080 0.000 2.404 75 L HA 0.619 4.959 4.340 -0.000 0.000 0.272 75 L C 0.373 177.359 176.870 0.193 0.000 0.980 75 L CA -0.782 54.125 54.840 0.111 0.000 0.836 75 L CB 1.248 43.428 42.059 0.201 0.000 1.238 75 L HN 0.729 nan 8.230 nan 0.000 0.408 76 H N 0.174 119.268 119.070 0.040 0.000 2.741 76 H HA -0.143 4.413 4.556 -0.000 0.000 0.305 76 H C -0.171 175.195 175.328 0.062 0.000 1.169 76 H CA 0.735 56.813 56.048 0.049 0.000 1.144 76 H CB -0.879 28.912 29.762 0.048 0.000 1.397 76 H HN 0.644 nan 8.280 nan 0.000 0.409 77 S N -0.616 115.151 115.700 0.112 0.000 2.677 77 S HA 0.823 5.293 4.470 -0.000 0.000 0.304 77 S C 0.008 174.670 174.600 0.103 0.000 1.108 77 S CA -0.264 58.003 58.200 0.112 0.000 0.944 77 S CB 2.754 66.000 63.200 0.077 0.000 1.127 77 S HN 0.508 nan 8.310 nan 0.000 0.511 78 A N 1.856 124.769 122.820 0.154 0.000 2.340 78 A HA 0.693 5.013 4.320 -0.000 0.000 0.297 78 A C -1.119 176.497 177.584 0.055 0.000 1.195 78 A CA -0.590 51.571 52.037 0.206 0.000 0.769 78 A CB 0.055 19.309 19.000 0.423 0.000 1.163 78 A HN 0.693 nan 8.150 nan 0.000 0.472 79 L N 2.824 124.025 121.223 -0.038 0.000 2.294 79 L HA 0.382 4.722 4.340 -0.000 0.000 0.283 79 L C -0.940 175.824 176.870 -0.177 0.000 1.015 79 L CA -0.647 54.087 54.840 -0.176 0.000 0.831 79 L CB 1.053 42.983 42.059 -0.213 0.000 1.217 79 L HN 0.746 nan 8.230 nan 0.000 0.420 80 Y N 4.423 124.495 120.300 -0.379 0.000 2.353 80 Y HA 0.219 4.769 4.550 -0.000 0.000 0.340 80 Y C 0.734 176.380 175.900 -0.423 0.000 0.972 80 Y CA -0.868 56.963 58.100 -0.448 0.000 1.157 80 Y CB 0.715 38.919 38.460 -0.426 0.000 1.157 80 Y HN 0.555 nan 8.280 nan 0.000 0.495 81 K N 2.640 122.498 120.400 -0.904 0.000 2.975 81 K HA -0.208 4.112 4.320 -0.000 0.000 0.257 81 K C -0.276 176.043 176.600 -0.469 0.000 1.005 81 K CA 1.021 56.853 56.287 -0.758 0.000 0.738 81 K CB -1.411 30.471 32.500 -1.029 0.000 1.236 81 K HN 0.578 nan 8.250 nan 0.000 0.483 82 S N 0.461 115.938 115.700 -0.373 0.000 2.672 82 S HA 0.353 4.823 4.470 -0.000 0.000 0.276 82 S C -0.219 174.259 174.600 -0.202 0.000 1.207 82 S CA -0.848 57.182 58.200 -0.284 0.000 1.002 82 S CB 1.386 64.427 63.200 -0.264 0.000 0.998 82 S HN 0.121 nan 8.310 nan 0.000 0.542 83 D N 1.245 121.538 120.400 -0.178 0.000 2.481 83 D HA 0.412 5.052 4.640 -0.000 0.000 0.246 83 D C -0.969 175.271 176.300 -0.100 0.000 1.109 83 D CA -0.312 53.612 54.000 -0.127 0.000 0.845 83 D CB 0.796 41.495 40.800 -0.167 0.000 1.160 83 D HN 0.158 nan 8.370 nan 0.000 0.534 84 I N 2.491 123.031 120.570 -0.049 0.000 2.337 84 I HA 0.298 4.468 4.170 -0.000 0.000 0.285 84 I C 0.199 176.339 176.117 0.038 0.000 1.041 84 I CA -0.451 60.833 61.300 -0.027 0.000 1.199 84 I CB 0.576 38.564 38.000 -0.020 0.000 1.370 84 I HN 0.145 nan 8.210 nan 0.000 0.470 85 R N 3.880 124.401 120.500 0.034 0.000 2.278 85 R HA 0.383 4.723 4.340 -0.000 0.000 0.322 85 R C 0.961 177.387 176.300 0.210 0.000 1.058 85 R CA -0.221 55.937 56.100 0.096 0.000 0.991 85 R CB 1.462 31.731 30.300 -0.051 0.000 1.140 85 R HN 0.812 nan 8.270 nan 0.000 0.518 86 G N 1.574 110.463 108.800 0.148 0.000 3.314 86 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.238 86 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.238 86 G C 0.680 175.655 174.900 0.125 0.000 1.184 86 G CA -0.254 44.923 45.100 0.129 0.000 0.806 86 G HN 0.587 nan 8.290 nan 0.000 0.536 87 D N -0.207 120.295 120.400 0.169 0.000 2.350 87 D HA -0.084 4.556 4.640 -0.000 0.000 0.216 87 D C 1.460 177.830 176.300 0.116 0.000 0.968 87 D CA 0.732 54.818 54.000 0.143 0.000 0.894 87 D CB 0.044 40.950 40.800 0.177 0.000 0.909 87 D HN 0.429 nan 8.370 nan 0.000 0.520 88 E N -0.390 119.877 120.200 0.112 0.000 2.562 88 E HA 0.203 4.553 4.350 -0.000 0.000 0.214 88 E C 0.223 176.850 176.600 0.045 0.000 0.979 88 E CA -0.374 56.056 56.400 0.050 0.000 1.002 88 E CB 0.640 30.314 29.700 -0.043 0.000 1.048 88 E HN 0.296 nan 8.360 nan 0.000 0.488 89 L N 1.893 123.158 121.223 0.069 0.000 2.499 89 L HA 0.048 4.388 4.340 -0.000 0.000 0.281 89 L C 0.617 177.498 176.870 0.018 0.000 1.234 89 L CA 0.581 55.456 54.840 0.058 0.000 0.839 89 L CB 0.207 42.307 42.059 0.069 0.000 1.104 89 L HN -0.079 nan 8.230 nan 0.000 0.500 90 K N 1.903 122.299 120.400 -0.007 0.000 2.090 90 K HA 0.475 4.795 4.320 -0.000 0.000 0.250 90 K C -0.525 176.060 176.600 -0.025 0.000 1.004 90 K CA -0.601 55.671 56.287 -0.026 0.000 0.919 90 K CB 0.959 33.425 32.500 -0.056 0.000 1.045 90 K HN 0.445 nan 8.250 nan 0.000 0.471 91 R N 0.846 121.329 120.500 -0.029 0.000 2.778 91 R HA 0.204 4.544 4.340 -0.000 0.000 0.277 91 R C -0.661 175.616 176.300 -0.039 0.000 0.977 91 R CA -0.965 55.118 56.100 -0.029 0.000 0.950 91 R CB 1.498 31.788 30.300 -0.018 0.000 1.165 91 R HN 0.428 nan 8.270 nan 0.000 0.474 92 K N 0.769 121.147 120.400 -0.036 0.000 2.550 92 K HA -0.104 4.216 4.320 -0.000 0.000 0.280 92 K C 0.583 177.162 176.600 -0.036 0.000 0.987 92 K CA 1.659 57.925 56.287 -0.035 0.000 1.048 92 K CB 0.182 32.671 32.500 -0.019 0.000 0.879 92 K HN 0.807 nan 8.250 nan 0.000 0.491 93 G N 2.234 111.004 108.800 -0.049 0.000 2.205 93 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.261 93 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.261 93 G C 0.193 175.064 174.900 -0.048 0.000 0.980 93 G CA 0.471 45.546 45.100 -0.042 0.000 0.632 93 G HN 0.684 nan 8.290 nan 0.000 0.533 94 Q N -0.542 119.225 119.800 -0.053 0.000 2.526 94 Q HA 0.513 4.853 4.340 -0.000 0.000 0.207 94 Q C -0.487 175.468 176.000 -0.074 0.000 1.078 94 Q CA 0.013 55.784 55.803 -0.053 0.000 1.041 94 Q CB 0.622 29.331 28.738 -0.048 0.000 1.228 94 Q HN 0.413 nan 8.270 nan 0.000 0.603 95 H N -1.852 117.177 119.070 -0.068 0.000 2.924 95 H HA 0.482 5.038 4.556 -0.000 0.000 0.333 95 H C -0.877 174.405 175.328 -0.076 0.000 0.979 95 H CA -0.760 55.242 56.048 -0.076 0.000 1.326 95 H CB 0.424 30.151 29.762 -0.058 0.000 1.600 95 H HN 0.566 nan 8.280 nan 0.000 0.520 96 F N 2.345 122.240 119.950 -0.092 0.000 2.472 96 F HA 0.645 5.172 4.527 -0.000 0.000 0.364 96 F C 0.339 176.096 175.800 -0.072 0.000 1.090 96 F CA -0.531 57.412 58.000 -0.095 0.000 1.188 96 F CB -0.225 38.708 39.000 -0.112 0.000 1.105 96 F HN 0.557 nan 8.300 nan 0.000 0.536 104 P HA 0.667 nan 4.420 nan 0.000 0.282 104 P C -0.752 176.303 177.300 -0.408 0.000 1.249 104 P CA -0.364 62.597 63.100 -0.232 0.000 0.806 104 P CB 1.521 33.103 31.700 -0.196 0.000 0.984 105 L N 3.085 124.139 121.223 -0.283 0.000 2.416 105 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 105 L C 1.796 178.473 176.870 -0.322 0.000 1.161 105 L CA 0.625 55.300 54.840 -0.275 0.000 0.845 105 L CB -0.317 41.661 42.059 -0.135 0.000 1.119 105 L HN 0.477 nan 8.230 nan 0.000 0.464 106 H N -0.574 118.480 119.070 -0.027 0.000 2.520 106 H HA 0.206 4.762 4.556 -0.000 0.000 0.279 106 H C -0.358 174.951 175.328 -0.031 0.000 0.990 106 H CA 0.361 56.393 56.048 -0.026 0.000 1.288 106 H CB 0.557 30.304 29.762 -0.024 0.000 1.446 106 H HN 0.553 nan 8.280 nan 0.000 0.538 107 D N -0.140 120.291 120.400 0.051 0.000 2.531 107 D HA 0.092 4.732 4.640 -0.000 0.000 0.244 107 D C -0.812 175.471 176.300 -0.027 0.000 1.090 107 D CA -0.610 53.393 54.000 0.005 0.000 0.989 107 D CB 1.701 42.500 40.800 -0.001 0.000 1.433 107 D HN 0.020 nan 8.370 nan 0.000 0.492 108 D N 1.091 121.466 120.400 -0.042 0.000 2.488 108 D HA -0.012 4.628 4.640 -0.000 0.000 0.238 108 D C 0.389 176.660 176.300 -0.047 0.000 1.138 108 D CA 0.611 54.581 54.000 -0.050 0.000 0.873 108 D CB 0.703 41.463 40.800 -0.067 0.000 1.183 108 D HN 0.277 nan 8.370 nan 0.000 0.458 109 E N 0.855 121.036 120.200 -0.031 0.000 2.392 109 E HA 0.248 4.598 4.350 -0.000 0.000 0.264 109 E C -1.060 175.538 176.600 -0.004 0.000 1.024 109 E CA -0.357 56.039 56.400 -0.007 0.000 0.903 109 E CB 0.708 30.413 29.700 0.009 0.000 0.963 109 E HN 0.066 nan 8.360 nan 0.000 0.432 110 V N 5.196 125.121 119.914 0.018 0.000 2.925 110 V HA 0.331 4.451 4.120 -0.000 0.000 0.311 110 V C -0.154 175.980 176.094 0.066 0.000 1.104 110 V CA -0.800 61.507 62.300 0.012 0.000 0.954 110 V CB 1.911 33.706 31.823 -0.047 0.000 1.022 110 V HN 0.642 nan 8.190 nan 0.000 0.427 111 I N 2.705 123.297 120.570 0.038 0.000 2.371 111 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 111 I C 0.010 176.138 176.117 0.019 0.000 1.028 111 I CA 0.316 61.596 61.300 -0.035 0.000 1.345 111 I CB 1.379 39.280 38.000 -0.165 0.000 1.407 111 I HN 0.610 nan 8.210 nan 0.000 0.501 112 T N 7.319 121.886 114.554 0.022 0.000 2.815 112 T HA 0.554 4.904 4.350 -0.000 0.000 0.289 112 T C -0.191 174.531 174.700 0.036 0.000 1.000 112 T CA -0.368 61.768 62.100 0.060 0.000 0.958 112 T CB 0.848 69.767 68.868 0.086 0.000 0.944 112 T HN 0.247 nan 8.240 nan 0.000 0.442 113 I N 3.260 123.854 120.570 0.041 0.000 2.354 113 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 113 I C 0.064 176.223 176.117 0.070 0.000 0.989 113 I CA -0.701 60.617 61.300 0.031 0.000 1.188 113 I CB 1.445 39.444 38.000 -0.002 0.000 1.342 113 I HN 0.324 nan 8.210 nan 0.000 0.457 114 K N 5.691 126.137 120.400 0.078 0.000 2.513 114 K HA 0.226 4.546 4.320 -0.000 0.000 0.251 114 K C -0.896 175.765 176.600 0.102 0.000 0.939 114 K CA -0.460 55.889 56.287 0.103 0.000 0.793 114 K CB 1.302 33.861 32.500 0.097 0.000 1.241 114 K HN 0.578 nan 8.250 nan 0.000 0.431 115 D N 1.282 121.760 120.400 0.130 0.000 2.837 115 D HA -0.140 4.500 4.640 -0.000 0.000 0.230 115 D C -1.015 175.358 176.300 0.123 0.000 1.152 115 D CA 1.243 55.315 54.000 0.120 0.000 0.736 115 D CB -0.842 40.003 40.800 0.075 0.000 1.084 115 D HN 0.426 nan 8.370 nan 0.000 0.429 116 S N -0.594 115.184 115.700 0.130 0.000 2.648 116 S HA 0.743 5.213 4.470 -0.000 0.000 0.305 116 S C -0.523 174.200 174.600 0.204 0.000 1.094 116 S CA -0.770 57.516 58.200 0.143 0.000 0.983 116 S CB 2.260 65.511 63.200 0.084 0.000 1.101 116 S HN 0.212 nan 8.310 nan 0.000 0.514 117 F N 2.336 122.320 119.950 0.056 0.000 2.496 117 F HA 0.592 5.119 4.527 -0.000 0.000 0.341 117 F C -1.639 174.182 175.800 0.036 0.000 1.134 117 F CA -0.782 57.258 58.000 0.065 0.000 0.968 117 F CB 0.501 39.556 39.000 0.092 0.000 1.205 117 F HN 0.342 nan 8.300 nan 0.000 0.436 118 L N 6.052 126.944 121.223 -0.552 0.000 2.342 118 L HA 0.405 4.745 4.340 -0.000 0.000 0.276 118 L C -0.736 175.751 176.870 -0.638 0.000 0.997 118 L CA -0.770 53.789 54.840 -0.469 0.000 0.838 118 L CB 1.485 43.386 42.059 -0.265 0.000 1.224 118 L HN 0.539 nan 8.230 nan 0.000 0.416 119 N N 4.114 122.482 118.700 -0.554 0.000 2.444 119 N HA 0.176 4.916 4.740 -0.000 0.000 0.262 119 N C -0.098 175.238 175.510 -0.290 0.000 0.974 119 N CA -0.306 52.539 53.050 -0.341 0.000 0.933 119 N CB 0.937 39.345 38.487 -0.132 0.000 1.137 119 N HN 0.457 nan 8.380 nan 0.000 0.498 120 K N 0.774 120.971 120.400 -0.338 0.000 3.078 120 K HA -0.171 4.149 4.320 -0.000 0.000 0.261 120 K C -0.619 175.697 176.600 -0.475 0.000 0.947 120 K CA 0.806 56.799 56.287 -0.491 0.000 0.702 120 K CB -1.399 30.677 32.500 -0.706 0.000 1.318 120 K HN 0.550 nan 8.250 nan 0.000 0.473 121 T N 0.814 115.169 114.554 -0.333 0.000 2.875 121 T HA 0.433 4.783 4.350 -0.000 0.000 0.284 121 T C -0.318 174.264 174.700 -0.197 0.000 0.995 121 T CA -0.810 61.144 62.100 -0.244 0.000 1.060 121 T CB 1.414 70.159 68.868 -0.205 0.000 0.967 121 T HN 0.186 nan 8.240 nan 0.000 0.476 122 L N 4.432 125.571 121.223 -0.140 0.000 2.282 122 L HA 0.645 4.985 4.340 -0.000 0.000 0.288 122 L C -1.000 175.836 176.870 -0.057 0.000 1.033 122 L CA -0.385 54.386 54.840 -0.114 0.000 0.807 122 L CB 0.981 42.975 42.059 -0.109 0.000 1.209 122 L HN 0.419 nan 8.230 nan 0.000 0.423 123 V N 5.990 125.872 119.914 -0.053 0.000 2.409 123 V HA 0.550 4.669 4.120 -0.000 0.000 0.291 123 V C -0.309 175.857 176.094 0.120 0.000 1.020 123 V CA -0.473 61.832 62.300 0.007 0.000 0.848 123 V CB 1.109 32.860 31.823 -0.120 0.000 0.990 123 V HN 0.924 nan 8.190 nan 0.000 0.430 124 H N 2.072 121.201 119.070 0.100 0.000 2.928 124 H HA 0.526 5.082 4.556 -0.000 0.000 0.285 124 H C 0.478 175.877 175.328 0.120 0.000 1.438 124 H CA 0.203 56.330 56.048 0.132 0.000 1.176 124 H CB 2.204 32.049 29.762 0.139 0.000 1.864 124 H HN 0.788 nan 8.280 nan 0.000 0.567 125 S N -0.058 115.471 115.700 -0.285 0.000 3.236 125 S HA -0.328 4.142 4.470 -0.000 0.000 0.629 125 S C -0.362 174.259 174.600 0.034 0.000 2.873 125 S CA 1.804 59.834 58.200 -0.283 0.000 3.603 125 S CB -1.166 61.673 63.200 -0.601 0.000 0.287 125 S HN 1.055 nan 8.310 nan 0.000 1.458 126 N N -0.508 118.146 118.700 -0.077 0.000 3.344 126 N HA 0.530 5.270 4.740 -0.000 0.000 0.296 126 N C -1.136 174.080 175.510 -0.491 0.000 1.571 126 N CA -0.034 52.911 53.050 -0.174 0.000 0.844 126 N CB 1.222 39.660 38.487 -0.082 0.000 1.718 126 N HN 0.740 nan 8.380 nan 0.000 0.589 127 S N -1.299 114.126 115.700 -0.458 0.000 2.510 127 S HA 0.162 4.632 4.470 -0.000 0.000 0.279 127 S C -0.598 173.801 174.600 -0.334 0.000 1.284 127 S CA -0.019 57.946 58.200 -0.393 0.000 1.059 127 S CB -0.441 62.633 63.200 -0.209 0.000 0.901 127 S HN 0.585 nan 8.310 nan 0.000 0.491 128 H N 2.068 120.991 119.070 -0.244 0.000 2.528 128 H HA 0.380 4.936 4.556 -0.000 0.000 0.282 128 H C -0.670 174.586 175.328 -0.119 0.000 1.097 128 H CA -0.368 55.587 56.048 -0.154 0.000 1.121 128 H CB 0.344 30.023 29.762 -0.140 0.000 1.590 128 H HN 0.463 nan 8.280 nan 0.000 0.553 129 D N 1.353 121.725 120.400 -0.046 0.000 2.329 129 D HA 0.104 4.744 4.640 -0.000 0.000 0.232 129 D C -1.820 174.452 176.300 -0.047 0.000 1.088 129 D CA -2.281 51.695 54.000 -0.040 0.000 0.835 129 D CB 2.034 42.810 40.800 -0.040 0.000 1.078 129 D HN 0.097 nan 8.370 nan 0.000 0.495 130 P HA 0.024 nan 4.420 nan 0.000 0.245 130 P C 0.653 177.936 177.300 -0.028 0.000 1.212 130 P CA 0.398 63.475 63.100 -0.039 0.000 0.774 130 P CB 0.576 32.257 31.700 -0.033 0.000 0.999 131 E N -0.617 119.568 120.200 -0.025 0.000 2.400 131 E HA 0.075 4.425 4.350 -0.000 0.000 0.195 131 E C 0.426 177.021 176.600 -0.008 0.000 1.012 131 E CA 0.225 56.615 56.400 -0.016 0.000 0.875 131 E CB 0.290 29.978 29.700 -0.020 0.000 0.859 131 E HN -0.083 nan 8.360 nan 0.000 0.498 132 S N 0.028 115.720 115.700 -0.014 0.000 2.512 132 S HA 0.217 4.687 4.470 -0.000 0.000 0.161 132 S C -2.361 172.226 174.600 -0.021 0.000 1.383 132 S CA -1.033 57.165 58.200 -0.003 0.000 1.248 132 S CB 0.451 63.660 63.200 0.014 0.000 1.488 132 S HN 0.035 nan 8.310 nan 0.000 0.382 133 P HA 0.077 nan 4.420 nan 0.000 0.222 133 P C 0.693 177.963 177.300 -0.049 0.000 1.153 133 P CA 0.829 63.892 63.100 -0.063 0.000 0.798 133 P CB 0.216 31.872 31.700 -0.074 0.000 0.796 134 E N -0.794 119.394 120.200 -0.020 0.000 2.472 134 E HA 0.093 4.443 4.350 -0.000 0.000 0.196 134 E C 0.363 176.977 176.600 0.022 0.000 1.033 134 E CA 0.128 56.524 56.400 -0.007 0.000 0.886 134 E CB 0.337 30.038 29.700 0.001 0.000 0.944 134 E HN 0.274 nan 8.360 nan 0.000 0.492 135 E N 0.508 120.734 120.200 0.043 0.000 2.265 135 E HA 0.137 4.487 4.350 -0.000 0.000 0.262 135 E C -1.590 175.108 176.600 0.164 0.000 0.889 135 E CA -0.574 55.880 56.400 0.090 0.000 0.789 135 E CB 0.908 30.651 29.700 0.071 0.000 1.221 135 E HN -0.077 nan 8.360 nan 0.000 0.414 136 F N 5.147 125.101 119.950 0.008 0.000 2.351 136 F HA 0.287 4.814 4.527 -0.000 0.000 0.362 136 F C -0.442 175.375 175.800 0.029 0.000 1.131 136 F CA -0.900 57.109 58.000 0.016 0.000 1.187 136 F CB -0.034 38.974 39.000 0.013 0.000 1.434 136 F HN 0.223 nan 8.300 nan 0.000 0.553 137 T N 4.232 119.035 114.554 0.415 0.000 2.795 137 T HA 0.698 5.048 4.350 -0.000 0.000 0.282 137 T C -0.163 174.666 174.700 0.216 0.000 0.980 137 T CA -0.593 61.641 62.100 0.223 0.000 1.012 137 T CB 1.614 70.572 68.868 0.150 0.000 0.936 137 T HN 0.444 nan 8.240 nan 0.000 0.457 138 I N 3.973 124.609 120.570 0.110 0.000 2.563 138 I HA 0.376 4.546 4.170 -0.000 0.000 0.276 138 I C 0.154 176.311 176.117 0.066 0.000 1.074 138 I CA -0.809 60.539 61.300 0.081 0.000 1.124 138 I CB 0.676 38.683 38.000 0.012 0.000 1.225 138 I HN 0.686 nan 8.210 nan 0.000 0.482 139 R N 3.701 124.248 120.500 0.078 0.000 2.750 139 R HA 0.572 4.912 4.340 -0.000 0.000 0.281 139 R C -0.496 175.844 176.300 0.067 0.000 0.972 139 R CA -0.830 55.314 56.100 0.073 0.000 0.912 139 R CB 1.034 31.379 30.300 0.075 0.000 1.187 139 R HN 0.352 nan 8.270 nan 0.000 0.464 140 N N -0.075 118.666 118.700 0.069 0.000 2.725 140 N HA -0.140 4.600 4.740 -0.000 0.000 0.251 140 N C -1.406 174.150 175.510 0.077 0.000 1.031 140 N CA 1.617 54.708 53.050 0.068 0.000 0.720 140 N CB -0.975 37.538 38.487 0.043 0.000 0.930 140 N HN 0.741 nan 8.380 nan 0.000 0.543 141 T N -0.599 114.010 114.554 0.091 0.000 2.861 141 T HA 0.631 4.981 4.350 -0.000 0.000 0.287 141 T C 0.021 174.798 174.700 0.129 0.000 1.003 141 T CA -0.536 61.617 62.100 0.088 0.000 0.977 141 T CB 2.593 71.491 68.868 0.051 0.000 0.996 141 T HN -0.103 nan 8.240 nan 0.000 0.448 142 V N 2.310 122.309 119.914 0.141 0.000 2.448 142 V HA 0.885 5.005 4.120 -0.000 0.000 0.295 142 V C 0.042 176.100 176.094 -0.061 0.000 1.025 142 V CA -0.520 61.897 62.300 0.196 0.000 0.859 142 V CB 1.219 33.269 31.823 0.379 0.000 0.988 142 V HN 1.135 nan 8.190 nan 0.000 0.431 146 Y N -1.013 119.067 120.300 -0.367 0.000 4.786 146 Y HA -0.097 4.453 4.550 -0.000 0.000 0.243 146 Y C 0.828 176.488 175.900 -0.399 0.000 1.027 146 Y CA 0.371 58.136 58.100 -0.559 0.000 2.052 146 Y CB -2.200 35.468 38.460 -1.320 0.000 1.578 146 Y HN 0.643 nan 8.280 nan 0.000 0.655 147 A N 0.759 123.484 122.820 -0.158 0.000 2.425 147 A HA 0.507 4.827 4.320 -0.000 0.000 0.242 147 A C 0.457 178.027 177.584 -0.023 0.000 1.077 147 A CA -0.105 51.902 52.037 -0.049 0.000 0.781 147 A CB 0.232 19.181 19.000 -0.085 0.000 1.020 147 A HN 0.321 nan 8.150 nan 0.000 0.494 148 N N 1.228 119.938 118.700 0.016 0.000 2.479 148 N HA 0.360 5.100 4.740 -0.000 0.000 0.261 148 N C -1.214 174.298 175.510 0.003 0.000 0.979 148 N CA -0.065 52.995 53.050 0.017 0.000 0.930 148 N CB 1.400 39.885 38.487 -0.005 0.000 1.172 148 N HN 0.534 nan 8.380 nan 0.000 0.499 149 I N 2.567 123.161 120.570 0.040 0.000 2.313 149 I HA 0.069 4.239 4.170 -0.000 0.000 0.286 149 I C 0.244 176.480 176.117 0.199 0.000 1.091 149 I CA -0.278 61.075 61.300 0.088 0.000 1.216 149 I CB 0.198 38.248 38.000 0.084 0.000 1.434 149 I HN 0.324 nan 8.210 nan 0.000 0.487 150 H N 6.364 125.466 119.070 0.055 0.000 2.691 150 H HA 0.230 4.786 4.556 -0.000 0.000 0.281 150 H C 0.844 176.197 175.328 0.042 0.000 1.121 150 H CA 0.203 56.316 56.048 0.109 0.000 1.254 150 H CB 1.063 30.864 29.762 0.065 0.000 1.390 150 H HN 0.868 nan 8.280 nan 0.000 0.491 151 G N 4.093 112.747 108.800 -0.243 0.000 2.198 151 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 151 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 151 G C -0.382 174.310 174.900 -0.346 0.000 1.025 151 G CA 0.601 45.477 45.100 -0.373 0.000 0.769 151 G HN 0.556 nan 8.290 nan 0.000 0.507 152 S N -0.183 115.363 115.700 -0.257 0.000 2.640 152 S HA 0.596 5.066 4.470 -0.000 0.000 0.320 152 S C 0.145 174.739 174.600 -0.010 0.000 1.097 152 S CA -0.723 57.396 58.200 -0.136 0.000 1.092 152 S CB 1.411 64.578 63.200 -0.056 0.000 0.988 152 S HN 0.395 nan 8.310 nan 0.000 0.470 153 L N 3.894 125.084 121.223 -0.055 0.000 2.540 153 L HA 0.252 4.592 4.340 -0.000 0.000 0.276 153 L C 1.054 177.986 176.870 0.102 0.000 1.212 153 L CA 0.795 55.692 54.840 0.095 0.000 0.893 153 L CB 0.058 42.146 42.059 0.050 0.000 1.138 153 L HN 0.761 nan 8.230 nan 0.000 0.491 154 T N 0.712 115.350 114.554 0.139 0.000 2.886 154 T HA 0.734 5.084 4.350 -0.000 0.000 0.292 154 T C -0.734 174.023 174.700 0.095 0.000 1.012 154 T CA -0.863 61.294 62.100 0.095 0.000 0.982 154 T CB 1.792 70.702 68.868 0.070 0.000 1.018 154 T HN 0.655 nan 8.240 nan 0.000 0.451 155 E N 1.927 122.175 120.200 0.079 0.000 2.313 155 E HA 0.516 4.866 4.350 -0.000 0.000 0.280 155 E C 0.446 177.016 176.600 -0.050 0.000 0.898 155 E CA -0.606 55.826 56.400 0.055 0.000 0.803 155 E CB 0.783 30.560 29.700 0.129 0.000 1.286 155 E HN 1.459 nan 8.360 nan 0.000 0.401 156 G N 2.690 111.474 108.800 -0.027 0.000 2.225 156 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 156 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 156 G C -0.261 174.622 174.900 -0.028 0.000 1.060 156 G CA 0.451 45.520 45.100 -0.051 0.000 0.833 156 G HN 0.556 nan 8.290 nan 0.000 0.498 157 S N -1.334 114.377 115.700 0.019 0.000 2.671 157 S HA 0.823 5.293 4.470 -0.000 0.000 0.299 157 S C -0.992 173.671 174.600 0.104 0.000 1.116 157 S CA -0.705 57.519 58.200 0.040 0.000 0.912 157 S CB 2.215 65.422 63.200 0.013 0.000 1.130 157 S HN 0.865 nan 8.310 nan 0.000 0.501 158 F N 2.420 122.316 119.950 -0.091 0.000 2.477 158 F HA 0.633 5.160 4.527 -0.000 0.000 0.335 158 F C -1.518 174.218 175.800 -0.106 0.000 1.130 158 F CA -0.842 57.092 58.000 -0.110 0.000 0.948 158 F CB 0.673 39.523 39.000 -0.250 0.000 1.154 158 F HN 0.283 nan 8.300 nan 0.000 0.439 159 I N 5.935 126.096 120.570 -0.681 0.000 2.411 159 I HA 0.353 4.523 4.170 -0.000 0.000 0.284 159 I C 0.639 176.371 176.117 -0.643 0.000 1.012 159 I CA -0.548 60.484 61.300 -0.447 0.000 1.119 159 I CB 0.728 38.594 38.000 -0.223 0.000 1.261 159 I HN 0.699 nan 8.210 nan 0.000 0.448 160 G N 3.494 112.077 108.800 -0.361 0.000 2.599 160 G HA2 0.216 4.176 3.960 -0.000 0.000 0.264 160 G HA3 0.216 4.176 3.960 -0.000 0.000 0.264 160 G C 0.038 174.998 174.900 0.099 0.000 1.200 160 G CA -0.312 44.733 45.100 -0.092 0.000 0.896 160 G HN 0.562 nan 8.290 nan 0.000 0.536 161 S N -0.713 115.133 115.700 0.243 0.000 2.575 161 S HA 0.069 4.539 4.470 -0.000 0.000 0.295 161 S C 0.595 175.502 174.600 0.511 0.000 1.267 161 S CA 0.171 58.555 58.200 0.307 0.000 1.074 161 S CB -0.725 62.702 63.200 0.378 0.000 0.829 161 S HN 0.775 nan 8.310 nan 0.000 0.497 162 F N 0.401 120.522 119.950 0.285 0.000 2.973 162 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 162 F C 0.959 176.943 175.800 0.307 0.000 0.737 162 F CA 0.664 58.856 58.000 0.320 0.000 1.151 162 F CB -2.119 37.133 39.000 0.421 0.000 1.440 162 F HN 0.706 nan 8.300 nan 0.000 0.367 163 A N -0.036 123.016 122.820 0.386 0.000 2.366 163 A HA 0.641 4.961 4.320 -0.000 0.000 0.249 163 A C 0.632 178.339 177.584 0.205 0.000 1.084 163 A CA 0.793 53.011 52.037 0.302 0.000 0.794 163 A CB 0.408 19.505 19.000 0.162 0.000 1.034 163 A HN 0.228 nan 8.150 nan 0.000 0.491 164 T N 0.981 115.603 114.554 0.113 0.000 3.011 164 T HA 0.505 4.855 4.350 -0.000 0.000 0.303 164 T C -0.695 173.853 174.700 -0.253 0.000 0.997 164 T CA -0.292 61.779 62.100 -0.048 0.000 1.007 164 T CB 1.069 69.956 68.868 0.032 0.000 1.017 164 T HN 1.269 nan 8.240 nan 0.000 0.443 165 V N 0.549 120.329 119.914 -0.223 0.000 2.378 165 V HA 0.824 4.944 4.120 -0.000 0.000 0.288 165 V C -1.020 174.940 176.094 -0.224 0.000 1.016 165 V CA -0.723 61.426 62.300 -0.251 0.000 0.840 165 V CB 1.581 33.320 31.823 -0.141 0.000 0.994 165 V HN 0.747 nan 8.190 nan 0.000 0.431 166 D N 4.429 124.645 120.400 -0.305 0.000 2.593 166 D HA 0.593 5.233 4.640 -0.000 0.000 0.251 166 D C 0.599 176.801 176.300 -0.164 0.000 1.140 166 D CA -0.542 53.359 54.000 -0.166 0.000 0.855 166 D CB 1.485 42.188 40.800 -0.163 0.000 1.267 166 D HN 0.725 nan 8.370 nan 0.000 0.532 167 L N 1.263 122.379 121.223 -0.179 0.000 3.976 167 L HA -0.263 4.077 4.340 -0.000 0.000 0.418 167 L C -0.341 176.397 176.870 -0.221 0.000 1.177 167 L CA 0.593 55.223 54.840 -0.350 0.000 0.968 167 L CB -2.121 39.718 42.059 -0.366 0.000 1.933 167 L HN 0.225 nan 8.230 nan 0.000 0.976 168 S N -1.377 114.215 115.700 -0.180 0.000 2.536 168 S HA 0.585 5.055 4.470 -0.000 0.000 0.298 168 S C 0.259 174.798 174.600 -0.102 0.000 1.083 168 S CA -0.582 57.531 58.200 -0.145 0.000 0.995 168 S CB 2.245 65.337 63.200 -0.180 0.000 1.058 168 S HN 0.120 nan 8.310 nan 0.000 0.488 169 T N 3.321 117.830 114.554 -0.075 0.000 2.728 169 T HA 0.383 4.733 4.350 -0.000 0.000 0.296 169 T C -0.238 174.457 174.700 -0.009 0.000 0.940 169 T CA -0.324 61.757 62.100 -0.031 0.000 1.013 169 T CB -0.165 68.688 68.868 -0.025 0.000 0.912 169 T HN 0.324 nan 8.240 nan 0.000 0.484 170 I N 4.138 124.722 120.570 0.022 0.000 2.330 170 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 170 I C -0.061 176.121 176.117 0.109 0.000 1.001 170 I CA -0.590 60.734 61.300 0.039 0.000 1.193 170 I CB 0.841 38.845 38.000 0.007 0.000 1.345 170 I HN 0.718 nan 8.210 nan 0.000 0.461 171 H N 6.864 125.938 119.070 0.008 0.000 2.823 171 H HA 0.366 4.922 4.556 -0.000 0.000 0.332 171 H C -0.175 175.174 175.328 0.035 0.000 0.980 171 H CA -0.155 55.907 56.048 0.024 0.000 1.286 171 H CB 0.726 30.500 29.762 0.020 0.000 1.541 171 H HN 0.499 nan 8.280 nan 0.000 0.521 172 N N 2.525 121.047 118.700 -0.297 0.000 2.725 172 N HA -0.187 4.553 4.740 -0.000 0.000 0.251 172 N C -1.160 174.333 175.510 -0.029 0.000 1.031 172 N CA 1.435 54.376 53.050 -0.182 0.000 0.720 172 N CB -1.117 37.244 38.487 -0.209 0.000 0.930 172 N HN 0.485 nan 8.380 nan 0.000 0.543 173 S N -1.118 114.572 115.700 -0.016 0.000 2.599 173 S HA 0.708 5.178 4.470 -0.000 0.000 0.287 173 S C -0.098 174.485 174.600 -0.028 0.000 1.105 173 S CA -0.740 57.461 58.200 0.002 0.000 0.899 173 S CB 3.013 66.232 63.200 0.031 0.000 1.100 173 S HN -0.008 nan 8.310 nan 0.000 0.482 174 V N 2.334 122.208 119.914 -0.067 0.000 2.384 174 V HA 0.510 4.630 4.120 -0.000 0.000 0.287 174 V C -0.827 175.257 176.094 -0.017 0.000 1.020 174 V CA -0.538 61.686 62.300 -0.127 0.000 0.850 174 V CB 1.462 33.011 31.823 -0.457 0.000 0.987 174 V HN 0.672 nan 8.190 nan 0.000 0.436 175 V N 6.472 126.411 119.914 0.042 0.000 2.349 175 V HA 0.496 4.616 4.120 -0.000 0.000 0.284 175 V C 0.291 176.446 176.094 0.101 0.000 1.014 175 V CA -0.727 61.608 62.300 0.058 0.000 0.826 175 V CB 1.303 33.140 31.823 0.023 0.000 1.009 175 V HN 0.822 nan 8.190 nan 0.000 0.431 176 R N 2.442 123.016 120.500 0.124 0.000 2.541 176 R HA 0.493 4.833 4.340 -0.000 0.000 0.254 176 R C -0.429 175.980 176.300 0.182 0.000 1.130 176 R CA -0.786 55.425 56.100 0.185 0.000 1.152 176 R CB 0.859 31.224 30.300 0.109 0.000 1.222 176 R HN 0.748 nan 8.270 nan 0.000 0.579 177 Y N -0.769 119.706 120.300 0.292 0.000 2.810 177 Y HA -0.046 4.504 4.550 -0.000 0.000 0.332 177 Y C 0.467 176.624 175.900 0.428 0.000 1.243 177 Y CA -0.845 57.456 58.100 0.335 0.000 1.537 177 Y CB -0.115 38.535 38.460 0.317 0.000 1.265 177 Y HN 0.708 nan 8.280 nan 0.000 0.572 178 F N 0.893 121.101 119.950 0.430 0.000 3.006 178 F HA -0.317 4.210 4.527 -0.000 0.000 0.289 178 F C 0.029 176.171 175.800 0.570 0.000 0.772 178 F CA 0.773 59.029 58.000 0.427 0.000 1.162 178 F CB -1.581 37.556 39.000 0.228 0.000 1.382 178 F HN 0.627 nan 8.300 nan 0.000 0.406 179 S N 0.229 116.146 115.700 0.362 0.000 2.537 179 S HA 0.442 4.912 4.470 -0.000 0.000 0.275 179 S C -0.770 173.842 174.600 0.019 0.000 1.272 179 S CA -0.152 58.174 58.200 0.210 0.000 1.050 179 S CB 1.194 64.498 63.200 0.173 0.000 0.961 179 S HN 0.289 nan 8.310 nan 0.000 0.496 180 Y N 3.080 123.224 120.300 -0.259 0.000 2.335 180 Y HA 0.601 5.151 4.550 -0.000 0.000 0.338 180 Y C -1.117 174.757 175.900 -0.043 0.000 0.977 180 Y CA -0.674 57.204 58.100 -0.370 0.000 1.114 180 Y CB 0.808 38.883 38.460 -0.641 0.000 1.182 180 Y HN 0.353 nan 8.280 nan 0.000 0.463 181 V N 6.938 126.448 119.914 -0.673 0.000 2.483 181 V HA 0.354 4.474 4.120 -0.000 0.000 0.297 181 V C -0.904 174.753 176.094 -0.729 0.000 1.027 181 V CA -0.724 61.291 62.300 -0.475 0.000 0.855 181 V CB 1.593 33.284 31.823 -0.220 0.000 0.995 181 V HN 0.772 nan 8.190 nan 0.000 0.424 182 Q N 3.083 122.567 119.800 -0.526 0.000 2.695 182 Q HA 0.367 4.707 4.340 -0.000 0.000 0.246 182 Q C 0.037 175.875 176.000 -0.269 0.000 0.961 182 Q CA -0.041 55.559 55.803 -0.338 0.000 0.708 182 Q CB 1.582 30.232 28.738 -0.147 0.000 1.282 182 Q HN 0.937 nan 8.270 nan 0.000 0.482 183 T N -1.291 113.063 114.554 -0.334 0.000 3.058 183 T HA 0.368 4.718 4.350 -0.000 0.000 0.278 183 T C 1.133 175.681 174.700 -0.253 0.000 0.974 183 T CA 0.522 62.383 62.100 -0.398 0.000 0.893 183 T CB 0.934 69.380 68.868 -0.703 0.000 1.138 183 T HN 0.696 nan 8.240 nan 0.000 0.529 184 G N 2.395 111.082 108.800 -0.189 0.000 2.990 184 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.225 184 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.225 184 G C -0.039 174.789 174.900 -0.120 0.000 1.304 184 G CA 0.495 45.518 45.100 -0.129 0.000 0.816 184 G HN 1.089 nan 8.290 nan 0.000 0.528 185 E N -1.025 119.093 120.200 -0.136 0.000 2.408 185 E HA 0.760 5.110 4.350 -0.000 0.000 0.275 185 E C -1.502 175.021 176.600 -0.129 0.000 0.935 185 E CA -1.211 55.126 56.400 -0.105 0.000 0.775 185 E CB 2.336 31.993 29.700 -0.071 0.000 1.277 185 E HN 0.822 nan 8.360 nan 0.000 0.455 186 L N 1.887 123.069 121.223 -0.069 0.000 2.563 186 L HA 0.334 4.674 4.340 -0.000 0.000 0.259 186 L C -2.002 174.895 176.870 0.044 0.000 1.034 186 L CA -0.390 54.426 54.840 -0.039 0.000 0.899 186 L CB 1.728 43.751 42.059 -0.061 0.000 1.159 186 L HN 0.540 nan 8.230 nan 0.000 0.456 187 V N 3.862 123.814 119.914 0.062 0.000 2.357 187 V HA 0.657 4.777 4.120 -0.000 0.000 0.284 187 V C 1.203 177.366 176.094 0.115 0.000 1.018 187 V CA 0.099 62.471 62.300 0.120 0.000 0.841 187 V CB 1.025 32.900 31.823 0.088 0.000 0.991 187 V HN 0.902 nan 8.190 nan 0.000 0.437 188 G N 3.620 112.495 108.800 0.125 0.000 2.179 188 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.257 188 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.257 188 G C 0.230 175.180 174.900 0.084 0.000 1.010 188 G CA 0.178 45.339 45.100 0.102 0.000 0.736 188 G HN 0.510 nan 8.290 nan 0.000 0.513 189 K N -0.910 119.542 120.400 0.087 0.000 2.132 189 K HA 0.715 5.035 4.320 -0.000 0.000 0.241 189 K C -0.094 176.546 176.600 0.067 0.000 1.000 189 K CA -0.834 55.511 56.287 0.096 0.000 0.911 189 K CB 1.685 34.281 32.500 0.160 0.000 1.093 189 K HN 0.425 nan 8.250 nan 0.000 0.460 190 C N 1.417 120.758 119.300 0.068 0.000 2.547 190 C HA 0.398 4.858 4.460 -0.000 0.000 0.327 190 C C -0.921 174.100 174.990 0.051 0.000 1.076 190 C CA -0.542 58.496 59.018 0.033 0.000 1.390 190 C CB -0.324 27.428 27.740 0.020 0.000 1.918 190 C HN 0.410 nan 8.230 nan 0.000 0.438 191 V N 7.205 127.163 119.914 0.072 0.000 2.383 191 V HA 0.406 4.526 4.120 -0.000 0.000 0.275 191 V C 0.399 176.530 176.094 0.062 0.000 1.036 191 V CA -0.188 62.170 62.300 0.097 0.000 0.889 191 V CB 1.150 33.081 31.823 0.180 0.000 0.985 191 V HN 0.765 nan 8.190 nan 0.000 0.459 192 E N 5.435 125.662 120.200 0.045 0.000 2.376 192 E HA 0.315 4.665 4.350 -0.000 0.000 0.254 192 E C -2.405 174.189 176.600 -0.011 0.000 1.213 192 E CA -1.983 54.429 56.400 0.020 0.000 0.945 192 E CB 0.255 29.965 29.700 0.017 0.000 1.057 192 E HN 0.390 nan 8.360 nan 0.000 0.479 193 P HA 0.109 nan 4.420 nan 0.000 0.271 193 P C 0.260 177.543 177.300 -0.028 0.000 1.218 193 P CA 0.537 63.459 63.100 -0.297 0.000 0.780 193 P CB 0.426 31.536 31.700 -0.983 0.000 0.901 194 G N 0.448 109.335 108.800 0.146 0.000 2.160 194 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 194 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 194 G C -0.195 174.981 174.900 0.460 0.000 1.022 194 G CA -0.384 44.977 45.100 0.434 0.000 0.741 194 G HN 0.519 nan 8.290 nan 0.000 0.508 195 Q N -0.372 119.608 119.800 0.301 0.000 2.241 195 Q HA 0.631 4.971 4.340 -0.000 0.000 0.254 195 Q C 0.389 176.578 176.000 0.314 0.000 0.917 195 Q CA -0.272 55.674 55.803 0.240 0.000 0.919 195 Q CB 1.737 30.615 28.738 0.234 0.000 1.237 195 Q HN 0.509 nan 8.270 nan 0.000 0.434 196 I N 2.201 122.956 120.570 0.309 0.000 2.382 196 I HA 0.307 4.477 4.170 -0.000 0.000 0.285 196 I C -0.985 175.490 176.117 0.597 0.000 1.007 196 I CA -0.639 60.935 61.300 0.457 0.000 1.142 196 I CB 0.988 39.284 38.000 0.493 0.000 1.289 196 I HN 0.454 nan 8.210 nan 0.000 0.453 197 W N 9.249 130.796 121.300 0.412 0.000 2.587 197 W HA 0.631 5.291 4.660 -0.000 0.000 0.324 197 W C -1.633 175.094 176.519 0.345 0.000 1.008 197 W CA -1.204 56.377 57.345 0.392 0.000 1.265 197 W CB 1.004 30.642 29.460 0.297 0.000 1.328 197 W HN 0.210 nan 8.180 nan 0.000 0.432 198 I N 5.548 126.479 120.570 0.601 0.000 2.530 198 I HA 0.498 4.668 4.170 -0.000 0.000 0.297 198 I C -0.318 175.913 176.117 0.190 0.000 1.011 198 I CA -1.147 60.349 61.300 0.326 0.000 1.107 198 I CB 2.304 40.604 38.000 0.499 0.000 1.285 198 I HN 0.261 nan 8.210 nan 0.000 0.436 199 K N 3.263 123.666 120.400 0.005 0.000 2.587 199 K HA 0.419 4.739 4.320 -0.000 0.000 0.256 199 K C -1.748 174.831 176.600 -0.035 0.000 0.974 199 K CA -0.276 55.993 56.287 -0.030 0.000 0.855 199 K CB 1.702 34.083 32.500 -0.198 0.000 1.292 199 K HN 0.595 nan 8.250 nan 0.000 0.444 200 S N 2.252 117.966 115.700 0.023 0.000 2.733 200 S HA 0.619 5.089 4.470 -0.000 0.000 0.307 200 S C 0.143 174.749 174.600 0.010 0.000 1.127 200 S CA 0.151 58.361 58.200 0.016 0.000 1.097 200 S CB 1.367 64.601 63.200 0.057 0.000 1.003 200 S HN 1.072 nan 8.310 nan 0.000 0.477 201 G N 3.922 112.716 108.800 -0.010 0.000 2.583 201 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.292 201 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.292 201 G C 0.061 174.955 174.900 -0.009 0.000 1.203 201 G CA 0.821 45.916 45.100 -0.009 0.000 0.987 201 G HN 0.580 nan 8.290 nan 0.000 0.554 202 D N 0.544 120.939 120.400 -0.008 0.000 2.479 202 D HA 0.426 5.066 4.640 -0.000 0.000 0.221 202 D C 2.241 178.525 176.300 -0.026 0.000 1.104 202 D CA 1.481 55.473 54.000 -0.013 0.000 0.849 202 D CB 0.300 41.092 40.800 -0.013 0.000 1.072 202 D HN 0.778 nan 8.370 nan 0.000 0.502 203 E N 0.254 120.441 120.200 -0.023 0.000 2.465 203 E HA 0.395 4.745 4.350 -0.000 0.000 0.195 203 E C 0.268 176.833 176.600 -0.058 0.000 1.028 203 E CA -0.116 56.262 56.400 -0.036 0.000 0.899 203 E CB 0.231 29.924 29.700 -0.012 0.000 1.032 203 E HN 0.187 nan 8.360 nan 0.000 0.468 204 L N -0.449 120.741 121.223 -0.054 0.000 2.526 204 L HA 0.604 4.944 4.340 -0.000 0.000 0.263 204 L C -1.752 175.085 176.870 -0.054 0.000 0.943 204 L CA -0.530 54.268 54.840 -0.070 0.000 0.859 204 L CB 2.402 44.513 42.059 0.087 0.000 1.313 204 L HN 0.148 nan 8.230 nan 0.000 0.406 205 E N 3.927 124.023 120.200 -0.173 0.000 2.506 205 E HA 0.284 4.634 4.350 -0.000 0.000 0.308 205 E C -2.247 174.377 176.600 0.040 0.000 0.931 205 E CA -0.529 55.881 56.400 0.016 0.000 0.800 205 E CB 1.602 31.332 29.700 0.051 0.000 1.292 205 E HN 0.434 nan 8.360 nan 0.000 0.401 206 F N 5.162 125.220 119.950 0.180 0.000 2.507 206 F HA 0.525 5.052 4.527 -0.000 0.000 0.325 206 F C -1.488 174.553 175.800 0.401 0.000 1.116 206 F CA -0.384 57.777 58.000 0.268 0.000 0.930 206 F CB 1.399 40.552 39.000 0.256 0.000 1.146 206 F HN 0.513 nan 8.300 nan 0.000 0.447 207 H N 6.021 124.918 119.070 -0.288 0.000 2.759 207 H HA 0.311 4.867 4.556 -0.000 0.000 0.354 207 H C -2.147 172.974 175.328 -0.344 0.000 1.074 207 H CA -0.437 55.532 56.048 -0.132 0.000 1.226 207 H CB 1.902 31.552 29.762 -0.187 0.000 1.648 207 H HN 0.796 nan 8.280 nan 0.000 0.529 208 Y N 2.570 122.441 120.300 -0.715 0.000 2.576 208 Y HA 0.426 4.976 4.550 -0.000 0.000 0.346 208 Y C -1.297 174.261 175.900 -0.571 0.000 1.018 208 Y CA -0.511 57.268 58.100 -0.536 0.000 1.050 208 Y CB 2.264 40.634 38.460 -0.150 0.000 1.280 208 Y HN 0.511 nan 8.280 nan 0.000 0.474 209 S N 3.972 118.924 115.700 -1.247 0.000 2.619 209 S HA 0.553 5.023 4.470 -0.000 0.000 0.280 209 S C -1.753 172.313 174.600 -0.890 0.000 1.150 209 S CA -0.504 57.266 58.200 -0.716 0.000 0.978 209 S CB 0.210 63.201 63.200 -0.349 0.000 1.041 209 S HN 0.478 nan 8.310 nan 0.000 0.485 210 F N 2.908 122.763 119.950 -0.159 0.000 2.427 210 F HA 0.236 4.763 4.527 -0.000 0.000 0.352 210 F C 1.012 176.805 175.800 -0.012 0.000 1.100 210 F CA -0.172 57.862 58.000 0.056 0.000 1.191 210 F CB 0.624 39.766 39.000 0.237 0.000 1.128 210 F HN 0.613 nan 8.300 nan 0.000 0.533 211 D N 3.555 124.058 120.400 0.172 0.000 2.502 211 D HA -0.084 4.556 4.640 -0.000 0.000 0.249 211 D C 1.216 177.584 176.300 0.114 0.000 1.188 211 D CA 0.398 54.461 54.000 0.105 0.000 0.890 211 D CB 0.685 41.536 40.800 0.085 0.000 1.140 211 D HN 0.598 nan 8.370 nan 0.000 0.505 212 K N 4.024 124.479 120.400 0.092 0.000 2.015 212 K HA -0.302 4.018 4.320 -0.000 0.000 0.216 212 K C 1.838 178.476 176.600 0.064 0.000 1.052 212 K CA 2.007 58.351 56.287 0.095 0.000 0.937 212 K CB -0.363 32.187 32.500 0.084 0.000 0.719 212 K HN 0.453 nan 8.250 nan 0.000 0.446 213 A N 0.829 123.673 122.820 0.040 0.000 1.958 213 A HA -0.187 4.133 4.320 -0.000 0.000 0.221 213 A C 2.208 179.774 177.584 -0.030 0.000 1.178 213 A CA 2.035 54.080 52.037 0.012 0.000 0.642 213 A CB -0.713 18.295 19.000 0.014 0.000 0.816 213 A HN 0.470 nan 8.150 nan 0.000 0.453 214 I N -1.427 119.108 120.570 -0.060 0.000 2.277 214 I HA -0.151 4.019 4.170 -0.000 0.000 0.243 214 I C 2.400 178.383 176.117 -0.223 0.000 1.094 214 I CA 0.946 62.136 61.300 -0.183 0.000 1.393 214 I CB -0.362 37.447 38.000 -0.319 0.000 1.078 214 I HN 0.388 nan 8.210 nan 0.000 0.417 215 L N 1.396 122.529 121.223 -0.149 0.000 1.990 215 L HA -0.287 4.053 4.340 -0.000 0.000 0.213 215 L C 1.869 178.626 176.870 -0.187 0.000 1.072 215 L CA 2.118 56.832 54.840 -0.209 0.000 0.755 215 L CB -0.928 41.112 42.059 -0.031 0.000 0.889 215 L HN 0.188 nan 8.230 nan 0.000 0.432 216 D N -0.413 119.952 120.400 -0.059 0.000 2.315 216 D HA -0.186 4.454 4.640 -0.000 0.000 0.211 216 D C 2.081 178.292 176.300 -0.149 0.000 0.977 216 D CA 1.026 54.989 54.000 -0.063 0.000 0.894 216 D CB -0.064 40.736 40.800 0.000 0.000 0.910 216 D HN 0.461 nan 8.370 nan 0.000 0.490 217 K N -1.148 119.151 120.400 -0.168 0.000 2.365 217 K HA -0.046 4.274 4.320 -0.000 0.000 0.197 217 K C 2.107 178.562 176.600 -0.242 0.000 1.042 217 K CA 0.794 56.981 56.287 -0.167 0.000 0.987 217 K CB 0.136 32.558 32.500 -0.130 0.000 0.779 217 K HN 0.403 nan 8.250 nan 0.000 0.484 218 Y N 0.265 120.359 120.300 -0.343 0.000 2.498 218 Y HA 0.440 4.990 4.550 -0.000 0.000 0.259 218 Y C 0.501 176.050 175.900 -0.584 0.000 1.086 218 Y CA -0.455 57.340 58.100 -0.508 0.000 1.287 218 Y CB 0.717 38.809 38.460 -0.614 0.000 1.146 218 Y HN 0.048 nan 8.280 nan 0.000 0.523 219 I N 0.749 121.038 120.570 -0.469 0.000 2.758 219 I HA 0.466 4.636 4.170 -0.000 0.000 0.283 219 I C -0.842 175.055 176.117 -0.367 0.000 1.566 219 I CA -0.496 60.562 61.300 -0.404 0.000 1.084 219 I CB 1.474 39.174 38.000 -0.500 0.000 1.469 219 I HN 0.459 nan 8.210 nan 0.000 0.422 220 S N 5.907 121.327 115.700 -0.468 0.000 2.638 220 S HA 0.894 5.364 4.470 -0.000 0.000 0.274 220 S C -1.322 172.925 174.600 -0.589 0.000 1.157 220 S CA -0.636 56.993 58.200 -0.953 0.000 0.826 220 S CB 2.334 65.211 63.200 -0.538 0.000 1.139 220 S HN 0.894 nan 8.310 nan 0.000 0.474 221 Q N 0.138 119.569 119.800 -0.616 0.000 2.320 221 Q HA 0.438 4.778 4.340 -0.000 0.000 0.272 221 Q C -1.922 174.145 176.000 0.112 0.000 1.023 221 Q CA -0.320 55.437 55.803 -0.077 0.000 0.855 221 Q CB 2.152 30.978 28.738 0.148 0.000 1.367 221 Q HN 0.849 nan 8.270 nan 0.000 0.406 222 E N 1.696 121.948 120.200 0.088 0.000 2.207 222 E HA 0.674 5.024 4.350 -0.000 0.000 0.270 222 E C -1.073 175.487 176.600 -0.065 0.000 0.927 222 E CA -0.635 55.806 56.400 0.067 0.000 0.799 222 E CB 1.621 31.326 29.700 0.009 0.000 1.172 222 E HN 0.735 nan 8.360 nan 0.000 0.404 223 A N 2.120 124.784 122.820 -0.260 0.000 2.548 223 A HA 0.407 4.727 4.320 -0.000 0.000 0.247 223 A C 1.074 178.415 177.584 -0.405 0.000 1.067 223 A CA 0.986 52.561 52.037 -0.769 0.000 0.757 223 A CB -0.523 18.017 19.000 -0.766 0.000 0.996 223 A HN 0.970 nan 8.150 nan 0.000 0.504 224 G N 0.377 108.946 108.800 -0.386 0.000 2.213 224 G HA2 0.218 4.178 3.960 -0.000 0.000 0.226 224 G HA3 0.218 4.178 3.960 -0.000 0.000 0.226 224 G C 0.495 175.323 174.900 -0.120 0.000 0.992 224 G CA 0.582 45.557 45.100 -0.209 0.000 0.632 224 G HN 2.119 nan 8.290 nan 0.000 0.511 225 S N -0.642 114.997 115.700 -0.101 0.000 2.600 225 S HA 0.819 5.289 4.470 -0.000 0.000 0.300 225 S C 0.513 175.126 174.600 0.021 0.000 1.087 225 S CA 0.081 58.260 58.200 -0.035 0.000 0.965 225 S CB 1.318 64.499 63.200 -0.031 0.000 1.089 225 S HN 1.837 nan 8.310 nan 0.000 0.496 226 C N 0.222 119.548 119.300 0.043 0.000 2.347 226 C HA 0.911 5.371 4.460 -0.000 0.000 0.366 226 C C -2.782 172.259 174.990 0.086 0.000 1.241 226 C CA -2.123 56.951 59.018 0.094 0.000 2.360 226 C CB 0.199 27.996 27.740 0.095 0.000 2.290 226 C HN 0.573 nan 8.230 nan 0.000 0.587 227 P HA 0.334 nan 4.420 nan 0.000 0.268 227 P C -0.066 177.268 177.300 0.056 0.000 1.205 227 P CA 0.646 63.805 63.100 0.098 0.000 0.771 227 P CB 0.516 32.339 31.700 0.204 0.000 0.858 228 T N -0.685 113.858 114.554 -0.019 0.000 2.916 228 T HA 0.858 5.208 4.350 -0.000 0.000 0.292 228 T C -0.090 174.543 174.700 -0.112 0.000 1.055 228 T CA -0.458 61.613 62.100 -0.047 0.000 1.009 228 T CB 1.934 70.770 68.868 -0.053 0.000 1.118 228 T HN 0.720 nan 8.240 nan 0.000 0.497 229 G N -0.074 108.653 108.800 -0.122 0.000 2.347 229 G HA2 0.191 4.151 3.960 -0.000 0.000 0.477 229 G HA3 0.191 4.151 3.960 -0.000 0.000 0.477 229 G C 0.274 175.043 174.900 -0.218 0.000 1.349 229 G CA -0.280 44.703 45.100 -0.195 0.000 1.000 229 G HN 0.991 nan 8.290 nan 0.000 0.605 230 V N 0.424 120.169 119.914 -0.282 0.000 2.380 230 V HA -0.080 4.040 4.120 -0.000 0.000 0.251 230 V C 2.189 178.050 176.094 -0.389 0.000 1.063 230 V CA 2.050 64.167 62.300 -0.304 0.000 1.055 230 V CB -0.907 30.681 31.823 -0.392 0.000 0.657 230 V HN 0.503 nan 8.190 nan 0.000 0.455 234 F N 1.621 121.457 119.950 -0.190 0.000 2.234 234 F HA 0.044 4.571 4.527 -0.000 0.000 0.296 234 F C 2.338 177.965 175.800 -0.287 0.000 1.089 234 F CA 2.592 60.458 58.000 -0.223 0.000 1.343 234 F CB 0.528 39.373 39.000 -0.257 0.000 1.040 234 F HN 0.302 nan 8.300 nan 0.000 0.498 235 V N -2.185 117.703 119.914 -0.044 0.000 2.446 235 V HA -0.044 4.076 4.120 -0.000 0.000 0.244 235 V C 1.987 178.067 176.094 -0.023 0.000 1.039 235 V CA 1.550 63.786 62.300 -0.107 0.000 1.045 235 V CB -0.813 30.862 31.823 -0.247 0.000 0.681 235 V HN 0.213 nan 8.190 nan 0.000 0.459 236 E N 0.770 120.966 120.200 -0.006 0.000 2.204 236 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 236 E C 2.224 178.849 176.600 0.041 0.000 0.989 236 E CA 1.356 57.802 56.400 0.076 0.000 0.824 236 E CB -0.039 29.717 29.700 0.093 0.000 0.756 236 E HN 0.567 nan 8.360 nan 0.000 0.477 237 V N 0.744 120.630 119.914 -0.047 0.000 3.461 237 V HA -0.056 4.064 4.120 -0.000 0.000 0.267 237 V C 1.745 177.798 176.094 -0.069 0.000 1.186 237 V CA 0.938 63.198 62.300 -0.066 0.000 1.154 237 V CB -0.295 31.452 31.823 -0.126 0.000 0.802 237 V HN 0.120 nan 8.190 nan 0.000 0.474 238 R N -0.983 119.481 120.500 -0.059 0.000 2.509 238 R HA 0.154 4.494 4.340 -0.000 0.000 0.297 238 R C 2.179 178.571 176.300 0.154 0.000 0.951 238 R CA 0.679 56.752 56.100 -0.044 0.000 1.103 238 R CB 0.280 30.401 30.300 -0.299 0.000 1.283 238 R HN 0.528 nan 8.270 nan 0.000 0.534 239 Q N 0.973 120.906 119.800 0.223 0.000 2.364 239 Q HA -0.129 4.211 4.340 -0.000 0.000 0.207 239 Q C 1.590 177.761 176.000 0.286 0.000 0.970 239 Q CA 1.781 57.797 55.803 0.354 0.000 0.888 239 Q CB -0.484 28.410 28.738 0.259 0.000 0.951 239 Q HN 0.290 nan 8.270 nan 0.000 0.469 240 E N 0.686 120.993 120.200 0.178 0.000 2.152 240 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 240 E C 1.233 177.910 176.600 0.128 0.000 0.983 240 E CA 1.074 57.556 56.400 0.136 0.000 0.818 240 E CB -0.290 29.463 29.700 0.089 0.000 0.758 240 E HN 0.816 nan 8.360 nan 0.000 0.467 241 D N -1.029 119.429 120.400 0.098 0.000 2.347 241 D HA 0.063 4.703 4.640 -0.000 0.000 0.215 241 D C 1.120 177.406 176.300 -0.023 0.000 0.976 241 D CA 0.428 54.435 54.000 0.012 0.000 0.884 241 D CB -0.176 40.624 40.800 -0.001 0.000 0.915 241 D HN 0.354 nan 8.370 nan 0.000 0.526 242 F N 0.833 120.869 119.950 0.144 0.000 2.387 242 F HA 0.102 4.629 4.527 -0.000 0.000 0.294 242 F C 2.714 178.581 175.800 0.111 0.000 1.093 242 F CA 0.978 59.049 58.000 0.118 0.000 1.420 242 F CB -0.540 38.522 39.000 0.103 0.000 1.086 242 F HN -0.002 nan 8.300 nan 0.000 0.531 243 E N 0.138 120.509 120.200 0.285 0.000 2.274 243 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 243 E C 1.898 178.629 176.600 0.217 0.000 0.996 243 E CA 1.339 57.870 56.400 0.219 0.000 0.840 243 E CB -0.766 29.035 29.700 0.168 0.000 0.772 243 E HN 0.573 nan 8.360 nan 0.000 0.491 244 E N -0.418 119.886 120.200 0.173 0.000 2.086 244 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 244 E C 2.235 178.904 176.600 0.115 0.000 0.975 244 E CA 1.129 57.601 56.400 0.119 0.000 0.813 244 E CB 0.292 30.029 29.700 0.062 0.000 0.768 244 E HN 0.536 nan 8.360 nan 0.000 0.457 245 V N -0.700 119.292 119.914 0.129 0.000 3.380 245 V HA -0.056 4.064 4.120 -0.000 0.000 0.268 245 V C 1.805 177.965 176.094 0.109 0.000 1.168 245 V CA 0.655 63.002 62.300 0.078 0.000 1.156 245 V CB -0.630 31.236 31.823 0.071 0.000 0.785 245 V HN 0.147 nan 8.190 nan 0.000 0.487 246 F N 2.260 122.261 119.950 0.086 0.000 2.084 246 F HA 0.118 4.645 4.527 -0.000 0.000 0.296 246 F C 2.492 178.331 175.800 0.066 0.000 1.111 246 F CA 1.488 59.558 58.000 0.116 0.000 1.224 246 F CB -0.863 38.202 39.000 0.108 0.000 0.991 246 F HN 0.245 nan 8.300 nan 0.000 0.471 247 A N 0.097 122.961 122.820 0.074 0.000 1.879 247 A HA -0.377 3.943 4.320 -0.000 0.000 0.222 247 A C 2.237 179.720 177.584 -0.167 0.000 1.368 247 A CA 3.282 55.305 52.037 -0.022 0.000 0.707 247 A CB -1.803 17.231 19.000 0.055 0.000 0.846 247 A HN 0.645 nan 8.150 nan 0.000 0.468 248 S N -0.718 114.894 115.700 -0.147 0.000 2.660 248 S HA 0.443 4.913 4.470 -0.000 0.000 0.227 248 S C 1.607 176.049 174.600 -0.263 0.000 0.948 248 S CA 1.001 59.101 58.200 -0.166 0.000 0.948 248 S CB -0.665 62.470 63.200 -0.109 0.000 0.779 248 S HN 0.958 nan 8.310 nan 0.000 0.487 249 G N 0.302 108.857 108.800 -0.409 0.000 2.446 249 G HA2 0.192 4.152 3.960 -0.000 0.000 0.217 249 G HA3 0.192 4.152 3.960 -0.000 0.000 0.217 249 G C 0.797 175.281 174.900 -0.694 0.000 1.168 249 G CA 1.218 45.897 45.100 -0.703 0.000 0.771 249 G HN 0.936 nan 8.290 nan 0.000 0.551 258 A N 0.960 123.759 122.820 -0.034 0.000 2.393 258 A HA 0.820 5.140 4.320 -0.000 0.000 0.306 258 A C 0.065 177.643 177.584 -0.011 0.000 1.050 258 A CA 0.021 52.039 52.037 -0.032 0.000 0.724 258 A CB 1.251 20.216 19.000 -0.059 0.000 1.248 258 A HN 1.075 nan 8.150 nan 0.000 0.424 259 S N 1.164 116.870 115.700 0.010 0.000 2.498 259 S HA 0.428 4.898 4.470 -0.000 0.000 0.281 259 S C 1.473 176.124 174.600 0.085 0.000 1.265 259 S CA 1.299 59.530 58.200 0.053 0.000 1.071 259 S CB -0.177 63.060 63.200 0.061 0.000 0.894 259 S HN 2.543 nan 8.310 nan 0.000 0.491 260 G N 3.082 111.944 108.800 0.103 0.000 2.205 260 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.261 260 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.261 260 G C 0.321 175.206 174.900 -0.025 0.000 0.980 260 G CA 0.160 45.313 45.100 0.089 0.000 0.632 260 G HN 1.436 nan 8.290 nan 0.000 0.533 261 A N -0.326 122.482 122.820 -0.020 0.000 2.322 261 A HA 0.822 5.142 4.320 -0.000 0.000 0.269 261 A C 0.563 178.115 177.584 -0.054 0.000 1.094 261 A CA 0.898 52.909 52.037 -0.044 0.000 0.807 261 A CB 1.182 20.152 19.000 -0.050 0.000 1.047 261 A HN 1.768 nan 8.150 nan 0.000 0.487 262 S N 0.545 116.214 115.700 -0.052 0.000 2.677 262 S HA 0.546 5.016 4.470 -0.000 0.000 0.283 262 S C -1.491 173.086 174.600 -0.038 0.000 1.159 262 S CA -0.469 57.703 58.200 -0.047 0.000 1.001 262 S CB 1.039 64.214 63.200 -0.042 0.000 1.032 262 S HN 0.960 nan 8.310 nan 0.000 0.487 263 V N 4.164 124.053 119.914 -0.043 0.000 2.380 263 V HA 0.469 4.589 4.120 -0.000 0.000 0.286 263 V C 0.642 176.714 176.094 -0.037 0.000 1.015 263 V CA -0.766 61.511 62.300 -0.037 0.000 0.834 263 V CB 1.207 32.999 31.823 -0.051 0.000 1.009 263 V HN 0.951 nan 8.190 nan 0.000 0.428 264 S N 3.603 119.299 115.700 -0.006 0.000 2.554 264 S HA 0.124 4.593 4.470 -0.000 0.000 0.290 264 S C 1.508 176.090 174.600 -0.030 0.000 1.309 264 S CA 0.651 58.860 58.200 0.016 0.000 1.047 264 S CB 0.920 64.186 63.200 0.108 0.000 0.828 264 S HN 1.054 nan 8.310 nan 0.000 0.509 265 G N 2.201 110.932 108.800 -0.115 0.000 2.813 265 G HA2 0.029 3.989 3.960 -0.000 0.000 0.209 265 G HA3 0.029 3.989 3.960 -0.000 0.000 0.209 265 G C 0.423 175.150 174.900 -0.288 0.000 1.150 265 G CA 0.183 45.125 45.100 -0.264 0.000 0.785 265 G HN 0.796 nan 8.290 nan 0.000 0.535 266 Y N 0.579 120.898 120.300 0.031 0.000 2.507 266 Y HA 0.578 5.128 4.550 -0.000 0.000 0.254 266 Y C 1.372 177.351 175.900 0.132 0.000 1.171 266 Y CA -0.790 57.363 58.100 0.088 0.000 1.238 266 Y CB 0.355 38.886 38.460 0.117 0.000 1.148 266 Y HN 0.203 nan 8.280 nan 0.000 0.525 267 A N 0.119 123.051 122.820 0.187 0.000 2.312 267 A HA 0.649 4.969 4.320 -0.000 0.000 0.328 267 A C -0.667 176.944 177.584 0.044 0.000 1.158 267 A CA -0.539 51.598 52.037 0.166 0.000 0.821 267 A CB 0.656 19.704 19.000 0.082 0.000 1.170 267 A HN -0.028 nan 8.150 nan 0.000 0.490 268 V N 3.662 123.540 119.914 -0.060 0.000 2.385 268 V HA 0.245 4.365 4.120 -0.000 0.000 0.269 268 V C -0.484 175.408 176.094 -0.337 0.000 1.043 268 V CA -0.163 61.938 62.300 -0.332 0.000 0.906 268 V CB 0.733 32.089 31.823 -0.779 0.000 0.995 268 V HN 0.608 nan 8.190 nan 0.000 0.467 269 I N 5.892 126.313 120.570 -0.248 0.000 2.382 269 I HA 0.534 4.704 4.170 -0.000 0.000 0.285 269 I C -0.101 175.903 176.117 -0.189 0.000 1.007 269 I CA -0.455 60.730 61.300 -0.192 0.000 1.142 269 I CB 1.388 39.314 38.000 -0.124 0.000 1.289 269 I HN 0.584 nan 8.210 nan 0.000 0.453 270 K N 3.201 123.485 120.400 -0.194 0.000 2.426 270 K HA 0.688 5.008 4.320 -0.000 0.000 0.251 270 K C 0.447 176.998 176.600 -0.083 0.000 0.941 270 K CA -0.067 56.125 56.287 -0.157 0.000 0.808 270 K CB 2.471 34.833 32.500 -0.231 0.000 1.265 270 K HN 0.732 nan 8.250 nan 0.000 0.432 271 G N 2.293 111.060 108.800 -0.056 0.000 2.574 271 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.286 271 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.286 271 G C -0.209 174.682 174.900 -0.014 0.000 1.212 271 G CA 0.499 45.585 45.100 -0.024 0.000 0.979 271 G HN 0.715 nan 8.290 nan 0.000 0.557 272 D N 1.455 121.860 120.400 0.008 0.000 3.072 272 D HA 0.412 5.052 4.640 -0.000 0.000 0.250 272 D C 0.874 177.199 176.300 0.041 0.000 1.304 272 D CA 0.417 54.432 54.000 0.025 0.000 0.861 272 D CB -0.831 39.992 40.800 0.039 0.000 1.062 272 D HN 0.391 nan 8.370 nan 0.000 0.481 273 T N 0.089 114.648 114.554 0.008 0.000 2.834 273 T HA 0.206 4.556 4.350 -0.000 0.000 0.298 273 T C 0.124 174.800 174.700 -0.040 0.000 0.966 273 T CA -0.175 61.920 62.100 -0.007 0.000 1.141 273 T CB 1.463 70.307 68.868 -0.040 0.000 0.905 273 T HN -0.111 nan 8.240 nan 0.000 0.535 274 V N 5.648 125.510 119.914 -0.088 0.000 2.378 274 V HA 0.352 4.472 4.120 -0.000 0.000 0.288 274 V C -0.305 175.580 176.094 -0.348 0.000 1.016 274 V CA -0.891 61.276 62.300 -0.223 0.000 0.840 274 V CB 1.438 33.073 31.823 -0.314 0.000 0.994 274 V HN 0.706 nan 8.190 nan 0.000 0.431 275 I N 4.900 125.318 120.570 -0.254 0.000 2.307 275 I HA 0.430 4.600 4.170 -0.000 0.000 0.289 275 I C 1.024 176.989 176.117 -0.254 0.000 1.021 275 I CA 0.147 61.307 61.300 -0.233 0.000 1.224 275 I CB 0.997 38.913 38.000 -0.140 0.000 1.376 275 I HN 0.662 nan 8.210 nan 0.000 0.470 276 G N 5.608 114.219 108.800 -0.314 0.000 2.588 276 G HA2 0.235 4.194 3.960 -0.000 0.000 0.278 276 G HA3 0.235 4.194 3.960 -0.000 0.000 0.278 276 G C -0.096 174.724 174.900 -0.134 0.000 1.307 276 G CA -0.501 44.444 45.100 -0.259 0.000 1.016 276 G HN 0.612 nan 8.290 nan 0.000 0.503 277 E N 0.279 120.429 120.200 -0.084 0.000 2.373 277 E HA 0.062 4.412 4.350 -0.000 0.000 0.267 277 E C -0.012 176.579 176.600 -0.015 0.000 1.032 277 E CA -0.072 56.313 56.400 -0.024 0.000 0.889 277 E CB 0.392 30.098 29.700 0.011 0.000 0.984 277 E HN 0.439 nan 8.360 nan 0.000 0.425 278 N N 0.062 118.769 118.700 0.012 0.000 2.800 278 N HA -0.166 4.574 4.740 -0.000 0.000 0.250 278 N C -0.973 174.509 175.510 -0.046 0.000 1.078 278 N CA 0.542 53.597 53.050 0.007 0.000 0.804 278 N CB -1.380 37.128 38.487 0.035 0.000 1.135 278 N HN 0.147 nan 8.380 nan 0.000 0.565 279 V N 1.062 120.943 119.914 -0.056 0.000 2.583 279 V HA 0.295 4.415 4.120 -0.000 0.000 0.287 279 V C 0.554 176.618 176.094 -0.051 0.000 1.051 279 V CA -0.476 61.786 62.300 -0.065 0.000 1.010 279 V CB 1.494 33.265 31.823 -0.087 0.000 0.988 279 V HN 0.206 nan 8.190 nan 0.000 0.478 280 L N 7.037 128.237 121.223 -0.038 0.000 2.318 280 L HA 0.581 4.921 4.340 -0.000 0.000 0.277 280 L C -0.525 176.344 176.870 -0.002 0.000 1.008 280 L CA 0.127 54.958 54.840 -0.015 0.000 0.846 280 L CB 1.545 43.607 42.059 0.005 0.000 1.220 280 L HN 0.420 nan 8.230 nan 0.000 0.423 281 V N 4.509 124.422 119.914 -0.001 0.000 2.328 281 V HA 0.532 4.652 4.120 -0.000 0.000 0.278 281 V C 0.503 176.617 176.094 0.034 0.000 1.021 281 V CA -0.331 61.977 62.300 0.014 0.000 0.838 281 V CB 1.110 32.931 31.823 -0.002 0.000 0.999 281 V HN 0.873 nan 8.190 nan 0.000 0.447 282 S N 3.486 119.220 115.700 0.057 0.000 2.686 282 S HA 0.372 4.842 4.470 -0.000 0.000 0.270 282 S C 0.026 174.687 174.600 0.101 0.000 1.194 282 S CA -0.755 57.492 58.200 0.080 0.000 0.990 282 S CB 0.802 64.058 63.200 0.094 0.000 1.029 282 S HN 0.862 nan 8.310 nan 0.000 0.560 283 Q N 0.660 120.531 119.800 0.120 0.000 2.364 283 Q HA 0.377 4.717 4.340 -0.000 0.000 0.267 283 Q C -0.274 175.757 176.000 0.052 0.000 0.999 283 Q CA -0.495 55.390 55.803 0.136 0.000 0.886 283 Q CB 0.206 29.046 28.738 0.170 0.000 1.243 283 Q HN 0.444 nan 8.270 nan 0.000 0.415 284 R N -1.512 119.008 120.500 0.035 0.000 3.954 284 R HA -0.177 4.163 4.340 -0.000 0.000 0.422 284 R C -0.608 175.742 176.300 0.082 0.000 1.091 284 R CA 1.090 57.093 56.100 -0.161 0.000 1.168 284 R CB -2.627 27.473 30.300 -0.334 0.000 1.752 284 R HN 0.898 nan 8.270 nan 0.000 0.547 285 A N 0.637 123.554 122.820 0.162 0.000 2.401 285 A HA 0.463 4.783 4.320 -0.000 0.000 0.259 285 A C -0.619 177.087 177.584 0.202 0.000 1.103 285 A CA -0.109 52.012 52.037 0.140 0.000 0.789 285 A CB 0.228 19.285 19.000 0.095 0.000 1.035 285 A HN 0.254 nan 8.150 nan 0.000 0.491 286 Y N 3.491 123.765 120.300 -0.043 0.000 2.388 286 Y HA 0.533 5.083 4.550 -0.000 0.000 0.328 286 Y C -0.899 175.002 175.900 0.001 0.000 0.963 286 Y CA -0.726 57.318 58.100 -0.093 0.000 1.240 286 Y CB 0.921 39.221 38.460 -0.267 0.000 1.118 286 Y HN 0.534 nan 8.280 nan 0.000 0.484 287 L N 5.657 126.797 121.223 -0.139 0.000 2.322 287 L HA 0.454 4.794 4.340 -0.000 0.000 0.281 287 L C -1.111 175.671 176.870 -0.147 0.000 1.014 287 L CA -0.725 54.089 54.840 -0.044 0.000 0.815 287 L CB 1.787 43.820 42.059 -0.043 0.000 1.247 287 L HN 0.548 nan 8.230 nan 0.000 0.421 288 D N 3.593 124.006 120.400 0.022 0.000 2.602 288 D HA 0.210 4.850 4.640 -0.000 0.000 0.245 288 D C -0.195 176.144 176.300 0.065 0.000 1.325 288 D CA -0.300 53.712 54.000 0.020 0.000 0.952 288 D CB 0.810 41.676 40.800 0.110 0.000 1.317 288 D HN 0.428 nan 8.370 nan 0.000 0.577 289 N N 1.482 120.204 118.700 0.037 0.000 2.735 289 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 289 N C -0.973 174.592 175.510 0.091 0.000 1.083 289 N CA 1.043 54.128 53.050 0.058 0.000 0.703 289 N CB -1.115 37.406 38.487 0.055 0.000 1.005 289 N HN 0.498 nan 8.380 nan 0.000 0.550 290 A N -0.509 122.363 122.820 0.087 0.000 2.260 290 A HA 0.513 4.833 4.320 -0.000 0.000 0.308 290 A C 0.200 177.867 177.584 0.139 0.000 1.254 290 A CA -0.515 51.592 52.037 0.117 0.000 0.874 290 A CB 0.499 19.553 19.000 0.090 0.000 1.153 290 A HN 0.391 nan 8.150 nan 0.000 0.527 294 K N 0.128 120.498 120.400 -0.051 0.000 2.477 294 K HA 0.263 4.583 4.320 -0.000 0.000 0.275 294 K C 1.438 178.033 176.600 -0.010 0.000 1.054 294 K CA 1.908 58.181 56.287 -0.023 0.000 1.135 294 K CB -0.207 32.310 32.500 0.028 0.000 0.854 294 K HN 2.072 nan 8.250 nan 0.000 0.484 295 G N 2.489 111.261 108.800 -0.047 0.000 2.179 295 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 295 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 295 G C 0.091 174.935 174.900 -0.092 0.000 0.977 295 G CA 0.338 45.380 45.100 -0.098 0.000 0.641 295 G HN 0.640 nan 8.290 nan 0.000 0.533 296 S N -0.101 115.570 115.700 -0.048 0.000 2.600 296 S HA 0.480 4.950 4.470 -0.000 0.000 0.265 296 S C 0.325 174.906 174.600 -0.032 0.000 1.325 296 S CA 0.222 58.407 58.200 -0.024 0.000 1.002 296 S CB 1.139 64.342 63.200 0.004 0.000 0.921 296 S HN 0.610 nan 8.310 nan 0.000 0.554 297 N N 0.161 118.856 118.700 -0.009 0.000 2.571 297 N HA 0.378 5.118 4.740 -0.000 0.000 0.286 297 N C -1.568 173.953 175.510 0.019 0.000 1.138 297 N CA -0.387 52.661 53.050 -0.003 0.000 0.859 297 N CB 1.043 39.522 38.487 -0.014 0.000 1.414 297 N HN 0.620 nan 8.380 nan 0.000 0.529 298 A N 3.507 126.342 122.820 0.025 0.000 2.260 298 A HA 0.337 4.657 4.320 -0.000 0.000 0.312 298 A C 0.201 177.810 177.584 0.043 0.000 1.321 298 A CA -0.432 51.630 52.037 0.042 0.000 0.928 298 A CB 0.579 19.610 19.000 0.050 0.000 1.158 298 A HN 0.708 nan 8.150 nan 0.000 0.542 299 Q N 1.147 120.964 119.800 0.028 0.000 2.222 299 Q HA 0.274 4.614 4.340 -0.000 0.000 0.211 299 Q C -0.609 175.454 176.000 0.105 0.000 1.013 299 Q CA -0.681 55.136 55.803 0.024 0.000 0.993 299 Q CB 0.588 29.225 28.738 -0.168 0.000 1.151 299 Q HN 0.753 nan 8.270 nan 0.000 0.544 300 E N 1.361 121.685 120.200 0.207 0.000 2.414 300 E HA -0.054 4.296 4.350 -0.000 0.000 0.263 300 E C -0.386 176.391 176.600 0.294 0.000 1.000 300 E CA 0.301 56.836 56.400 0.225 0.000 0.914 300 E CB 0.134 29.951 29.700 0.195 0.000 0.948 300 E HN 0.457 nan 8.360 nan 0.000 0.444 301 N N -0.388 118.389 118.700 0.129 0.000 2.948 301 N HA -0.182 4.558 4.740 -0.000 0.000 0.239 301 N C -0.734 174.906 175.510 0.218 0.000 0.954 301 N CA 1.103 54.245 53.050 0.153 0.000 0.941 301 N CB -2.009 36.624 38.487 0.243 0.000 1.101 301 N HN 0.614 nan 8.380 nan 0.000 0.579 302 C N -0.337 119.048 119.300 0.142 0.000 2.364 302 C HA 0.792 5.252 4.460 -0.000 0.000 0.356 302 C C 0.015 175.054 174.990 0.081 0.000 1.201 302 C CA -1.002 58.145 59.018 0.215 0.000 2.227 302 C CB 0.297 28.139 27.740 0.170 0.000 2.387 302 C HN 0.211 nan 8.230 nan 0.000 0.546 303 Y N 2.009 122.473 120.300 0.273 0.000 2.376 303 Y HA 0.728 5.278 4.550 -0.000 0.000 0.340 303 Y C 0.155 176.200 175.900 0.243 0.000 0.965 303 Y CA -1.158 57.138 58.100 0.326 0.000 1.078 303 Y CB 1.259 39.955 38.460 0.393 0.000 1.193 303 Y HN 0.605 nan 8.280 nan 0.000 0.452 304 I N 5.428 126.222 120.570 0.373 0.000 2.468 304 I HA 0.468 4.638 4.170 -0.000 0.000 0.284 304 I C -1.011 175.255 176.117 0.249 0.000 1.038 304 I CA -0.340 61.109 61.300 0.249 0.000 1.083 304 I CB 1.238 39.340 38.000 0.169 0.000 1.223 304 I HN 0.455 nan 8.210 nan 0.000 0.443 305 I N 5.739 126.441 120.570 0.221 0.000 2.498 305 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 305 I C 0.165 176.358 176.117 0.126 0.000 1.032 305 I CA -0.693 60.727 61.300 0.200 0.000 1.073 305 I CB 1.752 39.904 38.000 0.253 0.000 1.251 305 I HN 0.534 nan 8.210 nan 0.000 0.426 306 N N 2.107 120.870 118.700 0.105 0.000 2.661 306 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 306 N C -0.565 174.982 175.510 0.060 0.000 1.142 306 N CA 1.016 54.108 53.050 0.069 0.000 0.727 306 N CB -0.831 37.687 38.487 0.052 0.000 1.099 306 N HN 0.584 nan 8.380 nan 0.000 0.558 307 S N -0.438 115.315 115.700 0.088 0.000 2.568 307 S HA 0.547 5.017 4.470 -0.000 0.000 0.302 307 S C 0.286 174.967 174.600 0.135 0.000 1.082 307 S CA -0.901 57.354 58.200 0.091 0.000 1.009 307 S CB 3.060 66.317 63.200 0.095 0.000 1.069 307 S HN 0.301 nan 8.310 nan 0.000 0.500 308 R N 1.484 122.063 120.500 0.132 0.000 2.437 308 R HA 0.533 4.873 4.340 -0.000 0.000 0.310 308 R C -1.944 174.545 176.300 0.316 0.000 0.955 308 R CA -0.650 55.578 56.100 0.214 0.000 0.851 308 R CB 0.366 30.618 30.300 -0.081 0.000 1.161 308 R HN 0.412 nan 8.270 nan 0.000 0.446 309 L N 4.377 125.821 121.223 0.368 0.000 2.298 309 L HA 0.282 4.622 4.340 -0.000 0.000 0.284 309 L C 1.110 178.215 176.870 0.393 0.000 1.013 309 L CA -0.149 54.869 54.840 0.297 0.000 0.824 309 L CB 1.677 43.852 42.059 0.193 0.000 1.221 309 L HN 0.695 nan 8.230 nan 0.000 0.418 310 E N 2.375 122.764 120.200 0.315 0.000 2.051 310 E HA -0.017 4.333 4.350 -0.000 0.000 0.192 310 E C 0.448 177.229 176.600 0.302 0.000 0.991 310 E CA 0.907 57.512 56.400 0.342 0.000 0.799 310 E CB 0.216 30.027 29.700 0.187 0.000 0.748 310 E HN 0.442 nan 8.360 nan 0.000 0.449 311 R N -0.813 119.798 120.500 0.186 0.000 2.979 311 R HA 0.022 4.362 4.340 -0.000 0.000 0.245 311 R C -1.137 175.221 176.300 0.097 0.000 1.104 311 R CA -0.140 56.040 56.100 0.133 0.000 1.056 311 R CB 0.342 30.725 30.300 0.139 0.000 1.265 311 R HN -0.063 nan 8.270 nan 0.000 0.470 312 N N 0.586 119.323 118.700 0.061 0.000 2.741 312 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 312 N C -1.029 174.502 175.510 0.034 0.000 1.112 312 N CA 1.216 54.285 53.050 0.032 0.000 0.750 312 N CB -1.716 36.830 38.487 0.098 0.000 1.119 312 N HN 0.487 nan 8.380 nan 0.000 0.561 313 C N 1.019 120.349 119.300 0.051 0.000 2.373 313 C HA 0.453 4.913 4.460 -0.000 0.000 0.354 313 C C 1.051 176.078 174.990 0.061 0.000 1.249 313 C CA -0.793 58.267 59.018 0.070 0.000 1.784 313 C CB 0.087 27.880 27.740 0.088 0.000 2.408 313 C HN 0.091 nan 8.230 nan 0.000 0.542 314 V N 4.742 124.708 119.914 0.086 0.000 2.394 314 V HA 0.410 4.530 4.120 -0.000 0.000 0.282 314 V C 0.267 176.471 176.094 0.183 0.000 1.031 314 V CA -0.066 62.295 62.300 0.102 0.000 0.881 314 V CB 1.637 33.482 31.823 0.038 0.000 0.982 314 V HN 0.934 nan 8.190 nan 0.000 0.451 315 T N 4.492 119.103 114.554 0.095 0.000 2.821 315 T HA 0.631 4.981 4.350 -0.000 0.000 0.307 315 T C 0.369 175.052 174.700 -0.029 0.000 1.034 315 T CA -0.203 61.928 62.100 0.052 0.000 0.953 315 T CB 1.268 70.174 68.868 0.064 0.000 0.968 315 T HN 0.906 nan 8.240 nan 0.000 0.462 316 A N 2.955 125.700 122.820 -0.126 0.000 2.366 316 A HA 0.294 4.614 4.320 -0.000 0.000 0.250 316 A C 0.422 177.893 177.584 -0.188 0.000 1.099 316 A CA -0.445 51.375 52.037 -0.362 0.000 0.794 316 A CB -0.074 18.445 19.000 -0.803 0.000 1.056 316 A HN 0.822 nan 8.150 nan 0.000 0.499 317 H N -0.090 118.970 119.070 -0.015 0.000 3.157 317 H HA 0.191 4.747 4.556 -0.000 0.000 0.299 317 H C 1.551 177.083 175.328 0.340 0.000 0.961 317 H CA 1.721 57.919 56.048 0.251 0.000 1.428 317 H CB 0.067 30.090 29.762 0.435 0.000 1.459 317 H HN 1.290 nan 8.280 nan 0.000 0.566 318 G N 2.520 111.580 108.800 0.433 0.000 2.199 318 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.254 318 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.254 318 G C 0.835 175.959 174.900 0.373 0.000 0.982 318 G CA 0.038 45.404 45.100 0.443 0.000 0.632 318 G HN 0.982 nan 8.290 nan 0.000 0.529 319 G N 0.529 109.494 108.800 0.275 0.000 2.313 319 G HA2 0.454 4.414 3.960 -0.000 0.000 0.250 319 G HA3 0.454 4.414 3.960 -0.000 0.000 0.250 319 G C -0.012 175.029 174.900 0.234 0.000 1.281 319 G CA 0.307 45.521 45.100 0.190 0.000 0.917 319 G HN 0.539 nan 8.290 nan 0.000 0.501 320 K N 2.095 122.587 120.400 0.153 0.000 2.376 320 K HA 0.533 4.853 4.320 -0.000 0.000 0.257 320 K C -0.769 175.790 176.600 -0.068 0.000 0.939 320 K CA -0.528 55.809 56.287 0.084 0.000 0.809 320 K CB 2.515 34.960 32.500 -0.092 0.000 1.121 320 K HN 0.374 nan 8.250 nan 0.000 0.425 321 I N 4.335 124.906 120.570 0.001 0.000 2.468 321 I HA 0.373 4.543 4.170 -0.000 0.000 0.285 321 I C -1.137 174.973 176.117 -0.012 0.000 1.039 321 I CA -0.967 60.307 61.300 -0.042 0.000 1.074 321 I CB 1.393 39.409 38.000 0.027 0.000 1.228 321 I HN 0.406 nan 8.210 nan 0.000 0.436 322 I N 5.210 125.720 120.570 -0.101 0.000 2.466 322 I HA 0.365 4.535 4.170 -0.000 0.000 0.289 322 I C 0.142 176.231 176.117 -0.046 0.000 1.026 322 I CA -0.410 60.862 61.300 -0.046 0.000 1.078 322 I CB 1.444 39.396 38.000 -0.080 0.000 1.249 322 I HN 0.498 nan 8.210 nan 0.000 0.429 323 N N 2.989 121.690 118.700 0.002 0.000 2.721 323 N HA -0.173 4.566 4.740 -0.000 0.000 0.249 323 N C -0.598 174.905 175.510 -0.012 0.000 1.072 323 N CA 1.126 54.174 53.050 -0.004 0.000 0.710 323 N CB -0.529 37.950 38.487 -0.014 0.000 0.993 323 N HN 0.830 nan 8.380 nan 0.000 0.547 324 A N -0.114 122.708 122.820 0.004 0.000 2.355 324 A HA 0.602 4.922 4.320 -0.000 0.000 0.324 324 A C -0.701 176.940 177.584 0.095 0.000 1.117 324 A CA -0.531 51.518 52.037 0.021 0.000 0.785 324 A CB 1.095 20.086 19.000 -0.014 0.000 1.254 324 A HN 0.444 nan 8.150 nan 0.000 0.453 325 H N 2.373 121.424 119.070 -0.032 0.000 2.595 325 H HA 0.552 5.108 4.556 -0.000 0.000 0.313 325 H C -1.656 173.659 175.328 -0.021 0.000 1.023 325 H CA -0.732 55.300 56.048 -0.026 0.000 1.218 325 H CB 0.623 30.354 29.762 -0.051 0.000 1.403 325 H HN 0.431 nan 8.280 nan 0.000 0.477 326 L N 4.578 125.840 121.223 0.065 0.000 2.317 326 L HA 0.364 4.704 4.340 -0.000 0.000 0.281 326 L C 1.131 177.950 176.870 -0.085 0.000 1.024 326 L CA -0.078 54.739 54.840 -0.039 0.000 0.810 326 L CB 1.745 43.828 42.059 0.040 0.000 1.240 326 L HN 0.795 nan 8.230 nan 0.000 0.427 327 G N 0.598 109.322 108.800 -0.127 0.000 2.580 327 G HA2 0.117 4.077 3.960 -0.000 0.000 0.225 327 G HA3 0.117 4.077 3.960 -0.000 0.000 0.225 327 G C -0.432 174.479 174.900 0.017 0.000 1.521 327 G CA -0.138 44.912 45.100 -0.084 0.000 1.068 327 G HN 0.539 nan 8.290 nan 0.000 0.564 331 F N 5.569 125.523 119.950 0.007 0.000 2.325 331 F HA 0.620 5.147 4.527 -0.000 0.000 0.369 331 F C 0.027 175.804 175.800 -0.038 0.000 1.095 331 F CA -0.777 57.217 58.000 -0.011 0.000 1.082 331 F CB 0.962 39.968 39.000 0.009 0.000 1.289 331 F HN 0.415 nan 8.300 nan 0.000 0.462 332 T N 5.255 119.809 114.554 -0.000 0.000 2.727 332 T HA 0.492 4.842 4.350 -0.000 0.000 0.298 332 T C 0.731 175.234 174.700 -0.329 0.000 0.942 332 T CA -0.387 61.629 62.100 -0.140 0.000 0.997 332 T CB 0.741 69.590 68.868 -0.031 0.000 0.917 332 T HN 0.764 nan 8.240 nan 0.000 0.487 333 G N 1.931 110.490 108.800 -0.402 0.000 2.667 333 G HA2 0.434 4.394 3.960 -0.000 0.000 0.250 333 G HA3 0.434 4.394 3.960 -0.000 0.000 0.250 333 G C -0.203 174.593 174.900 -0.173 0.000 1.212 333 G CA -0.726 44.109 45.100 -0.441 0.000 0.874 333 G HN 0.602 nan 8.290 nan 0.000 0.561 334 F N 0.463 120.369 119.950 -0.072 0.000 2.623 334 F HA -0.083 4.444 4.527 -0.000 0.000 0.381 334 F C 1.588 177.484 175.800 0.160 0.000 1.081 334 F CA 1.202 59.267 58.000 0.109 0.000 1.293 334 F CB 0.162 39.290 39.000 0.214 0.000 1.006 334 F HN 0.495 nan 8.300 nan 0.000 0.578 335 N N 0.038 118.971 118.700 0.389 0.000 2.678 335 N HA -0.242 4.498 4.740 -0.000 0.000 0.250 335 N C -0.150 175.491 175.510 0.218 0.000 1.136 335 N CA 1.017 54.232 53.050 0.275 0.000 0.757 335 N CB -1.321 37.197 38.487 0.052 0.000 1.135 335 N HN 0.428 nan 8.380 nan 0.000 0.565 336 S N 0.013 115.832 115.700 0.199 0.000 2.560 336 S HA 0.254 4.724 4.470 -0.000 0.000 0.284 336 S C -0.025 174.693 174.600 0.198 0.000 1.327 336 S CA -0.139 58.175 58.200 0.190 0.000 1.055 336 S CB 0.480 63.733 63.200 0.088 0.000 0.868 336 S HN 0.285 nan 8.310 nan 0.000 0.506 337 F N 4.256 124.209 119.950 0.005 0.000 2.430 337 F HA 0.463 4.990 4.527 -0.000 0.000 0.362 337 F C -1.015 174.730 175.800 -0.092 0.000 1.103 337 F CA -0.842 57.088 58.000 -0.116 0.000 1.045 337 F CB 0.354 39.235 39.000 -0.199 0.000 1.276 337 F HN 0.354 nan 8.300 nan 0.000 0.444 338 L N 6.336 127.274 121.223 -0.475 0.000 2.356 338 L HA 0.424 4.764 4.340 -0.000 0.000 0.264 338 L C -0.601 175.974 176.870 -0.492 0.000 1.029 338 L CA -0.410 54.210 54.840 -0.365 0.000 0.897 338 L CB 1.305 43.250 42.059 -0.190 0.000 1.256 338 L HN 0.548 nan 8.230 nan 0.000 0.444 339 Q N 2.014 121.487 119.800 -0.545 0.000 2.368 339 Q HA 0.599 4.939 4.340 -0.000 0.000 0.263 339 Q C -0.185 175.682 176.000 -0.221 0.000 1.009 339 Q CA -0.430 55.095 55.803 -0.463 0.000 0.818 339 Q CB 2.033 30.427 28.738 -0.574 0.000 1.239 339 Q HN 0.681 nan 8.270 nan 0.000 0.464 340 G N 1.465 110.171 108.800 -0.157 0.000 2.601 340 G HA2 0.638 4.598 3.960 -0.000 0.000 0.317 340 G HA3 0.638 4.598 3.960 -0.000 0.000 0.317 340 G C -0.740 174.125 174.900 -0.058 0.000 1.246 340 G CA -0.200 44.845 45.100 -0.093 0.000 1.012 340 G HN 0.696 nan 8.290 nan 0.000 0.494 341 S N -2.020 113.657 115.700 -0.038 0.000 2.851 341 S HA 0.416 4.886 4.470 -0.000 0.000 0.317 341 S C 0.788 175.377 174.600 -0.018 0.000 1.144 341 S CA -0.188 58.000 58.200 -0.019 0.000 0.862 341 S CB 1.805 64.999 63.200 -0.010 0.000 1.259 341 S HN 0.614 nan 8.310 nan 0.000 0.564 342 E N 0.289 120.483 120.200 -0.011 0.000 2.216 342 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 342 E C 1.617 178.207 176.600 -0.017 0.000 0.988 342 E CA 1.348 57.740 56.400 -0.014 0.000 0.834 342 E CB -0.100 29.595 29.700 -0.009 0.000 0.772 342 E HN 0.720 nan 8.360 nan 0.000 0.479 343 S N -0.881 114.810 115.700 -0.015 0.000 2.478 343 S HA 0.115 4.585 4.470 -0.000 0.000 0.222 343 S C 0.948 175.535 174.600 -0.022 0.000 1.008 343 S CA -0.222 57.968 58.200 -0.017 0.000 0.928 343 S CB 0.610 63.803 63.200 -0.012 0.000 0.781 343 S HN -0.052 nan 8.310 nan 0.000 0.518 344 S N 3.624 119.309 115.700 -0.026 0.000 2.158 344 S HA 0.423 4.893 4.470 -0.000 0.000 0.160 344 S C -2.916 171.659 174.600 -0.041 0.000 1.693 344 S CA -1.075 57.104 58.200 -0.035 0.000 1.251 344 S CB 1.399 64.576 63.200 -0.038 0.000 1.153 344 S HN 0.352 nan 8.310 nan 0.000 0.439 345 P HA 0.295 nan 4.420 nan 0.000 0.279 345 P C -0.714 176.560 177.300 -0.045 0.000 1.239 345 P CA -0.672 62.407 63.100 -0.035 0.000 0.789 345 P CB 0.844 32.529 31.700 -0.025 0.000 0.933 346 L N 3.622 124.817 121.223 -0.046 0.000 2.295 346 L HA 0.483 4.823 4.340 -0.000 0.000 0.285 346 L C -0.281 176.565 176.870 -0.039 0.000 1.035 346 L CA -0.020 54.783 54.840 -0.061 0.000 0.806 346 L CB 0.901 42.910 42.059 -0.084 0.000 1.214 346 L HN 0.241 nan 8.230 nan 0.000 0.426 347 K N 6.377 126.737 120.400 -0.065 0.000 2.397 347 K HA 0.604 4.924 4.320 -0.000 0.000 0.253 347 K C -1.456 175.071 176.600 -0.121 0.000 0.932 347 K CA -0.528 55.711 56.287 -0.082 0.000 0.795 347 K CB 2.109 34.559 32.500 -0.084 0.000 1.159 347 K HN 0.561 nan 8.250 nan 0.000 0.424 348 I N 1.806 122.296 120.570 -0.133 0.000 2.418 348 I HA 0.267 4.437 4.170 -0.000 0.000 0.287 348 I C 0.692 176.722 176.117 -0.146 0.000 1.008 348 I CA -0.860 60.359 61.300 -0.135 0.000 1.104 348 I CB 1.921 39.862 38.000 -0.100 0.000 1.264 348 I HN 0.641 nan 8.210 nan 0.000 0.438 349 G N 3.565 112.276 108.800 -0.149 0.000 2.667 349 G HA2 0.111 4.071 3.960 -0.000 0.000 0.250 349 G HA3 0.111 4.071 3.960 -0.000 0.000 0.250 349 G C -0.337 174.514 174.900 -0.081 0.000 1.212 349 G CA -0.423 44.600 45.100 -0.128 0.000 0.874 349 G HN 0.570 nan 8.290 nan 0.000 0.561 350 D N -0.211 120.156 120.400 -0.055 0.000 2.533 350 D HA 0.314 4.954 4.640 -0.000 0.000 0.236 350 D C 1.481 177.798 176.300 0.029 0.000 1.137 350 D CA 1.763 55.760 54.000 -0.005 0.000 0.867 350 D CB 0.642 41.447 40.800 0.009 0.000 1.170 350 D HN 0.894 nan 8.370 nan 0.000 0.474 351 G N 1.902 110.747 108.800 0.074 0.000 2.168 351 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.263 351 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.263 351 G C 0.634 175.668 174.900 0.223 0.000 0.977 351 G CA 0.239 45.436 45.100 0.161 0.000 0.659 351 G HN 0.691 nan 8.290 nan 0.000 0.533 352 C N -0.109 119.234 119.300 0.072 0.000 2.665 352 C HA 0.421 4.881 4.460 -0.000 0.000 0.416 352 C C 1.209 176.282 174.990 0.138 0.000 1.305 352 C CA -0.006 59.020 59.018 0.013 0.000 1.903 352 C CB 0.752 28.453 27.740 -0.064 0.000 2.704 352 C HN 0.432 nan 8.230 nan 0.000 0.629 353 V N 5.199 125.199 119.914 0.144 0.000 2.350 353 V HA 0.325 4.445 4.120 -0.000 0.000 0.285 353 V C 0.299 176.310 176.094 -0.138 0.000 1.014 353 V CA -0.146 62.165 62.300 0.018 0.000 0.831 353 V CB 1.098 32.859 31.823 -0.102 0.000 1.000 353 V HN 0.772 nan 8.190 nan 0.000 0.433 357 H N -1.550 117.523 119.070 0.005 0.000 3.049 357 H HA -0.077 4.479 4.556 -0.000 0.000 0.250 357 H C -0.408 175.178 175.328 0.429 0.000 1.219 357 H CA 0.966 57.026 56.048 0.020 0.000 1.117 357 H CB -1.244 28.375 29.762 -0.238 0.000 1.251 357 H HN 0.422 nan 8.280 nan 0.000 0.338 358 T N 2.027 116.816 114.554 0.391 0.000 2.851 358 T HA 0.454 4.804 4.350 -0.000 0.000 0.298 358 T C 0.937 175.856 174.700 0.365 0.000 0.977 358 T CA -0.052 62.263 62.100 0.359 0.000 1.126 358 T CB 1.199 70.149 68.868 0.138 0.000 0.916 358 T HN 0.186 nan 8.240 nan 0.000 0.529 359 I N 4.538 125.365 120.570 0.429 0.000 2.411 359 I HA 0.424 4.594 4.170 -0.000 0.000 0.284 359 I C -0.457 175.744 176.117 0.141 0.000 1.012 359 I CA -0.569 60.949 61.300 0.363 0.000 1.119 359 I CB 1.244 39.526 38.000 0.469 0.000 1.261 359 I HN 0.455 nan 8.210 nan 0.000 0.448 360 I N 5.475 126.053 120.570 0.014 0.000 2.382 360 I HA 0.284 4.454 4.170 -0.000 0.000 0.285 360 I C -0.858 175.174 176.117 -0.142 0.000 1.007 360 I CA -0.240 60.967 61.300 -0.155 0.000 1.142 360 I CB 1.618 39.516 38.000 -0.169 0.000 1.289 360 I HN 0.444 nan 8.210 nan 0.000 0.453 361 D N 7.524 127.815 120.400 -0.182 0.000 2.404 361 D HA 0.338 4.978 4.640 -0.000 0.000 0.267 361 D C -0.454 175.780 176.300 -0.110 0.000 1.194 361 D CA -0.281 53.676 54.000 -0.071 0.000 0.910 361 D CB 0.928 41.776 40.800 0.081 0.000 1.090 361 D HN 0.315 nan 8.370 nan 0.000 0.511 362 L N 2.597 123.756 121.223 -0.106 0.000 2.410 362 L HA 0.173 4.513 4.340 -0.000 0.000 0.273 362 L C 1.510 178.344 176.870 -0.060 0.000 1.144 362 L CA 0.233 55.014 54.840 -0.098 0.000 0.863 362 L CB 0.950 42.952 42.059 -0.095 0.000 1.140 362 L HN 0.371 nan 8.230 nan 0.000 0.463 363 E N 1.860 122.025 120.200 -0.058 0.000 2.415 363 E HA -0.001 4.349 4.350 -0.000 0.000 0.197 363 E C -0.125 176.455 176.600 -0.033 0.000 1.007 363 E CA 0.181 56.562 56.400 -0.032 0.000 0.890 363 E CB 0.592 30.278 29.700 -0.023 0.000 0.891 363 E HN 0.695 nan 8.360 nan 0.000 0.496 364 E N 0.055 120.228 120.200 -0.046 0.000 2.413 364 E HA 0.361 4.711 4.350 -0.000 0.000 0.277 364 E C -2.970 173.599 176.600 -0.052 0.000 0.958 364 E CA -2.699 53.675 56.400 -0.043 0.000 0.779 364 E CB 1.596 31.272 29.700 -0.040 0.000 1.278 364 E HN -0.298 nan 8.360 nan 0.000 0.456 365 P HA 0.050 nan 4.420 nan 0.000 0.264 365 P C -1.095 176.166 177.300 -0.064 0.000 1.183 365 P CA 0.002 63.071 63.100 -0.052 0.000 0.763 365 P CB 0.289 31.964 31.700 -0.043 0.000 0.807 366 L N 2.278 123.456 121.223 -0.075 0.000 2.464 366 L HA 0.459 4.799 4.340 -0.000 0.000 0.266 366 L C -0.728 176.082 176.870 -0.099 0.000 0.965 366 L CA -0.413 54.371 54.840 -0.093 0.000 0.833 366 L CB 2.115 44.108 42.059 -0.111 0.000 1.296 366 L HN 0.265 nan 8.230 nan 0.000 0.405 367 E N 5.319 125.453 120.200 -0.111 0.000 2.191 367 E HA 0.459 4.809 4.350 -0.000 0.000 0.263 367 E C -1.398 175.099 176.600 -0.171 0.000 0.881 367 E CA -0.602 55.722 56.400 -0.125 0.000 0.757 367 E CB 1.266 30.902 29.700 -0.107 0.000 1.147 367 E HN 0.625 nan 8.360 nan 0.000 0.414 368 I N 6.411 126.864 120.570 -0.195 0.000 2.315 368 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 368 I C -2.076 173.852 176.117 -0.315 0.000 1.006 368 I CA -2.325 58.811 61.300 -0.274 0.000 1.265 368 I CB 1.050 38.904 38.000 -0.245 0.000 1.387 368 I HN 0.353 nan 8.210 nan 0.000 0.475 369 P HA 0.102 nan 4.420 nan 0.000 0.272 369 P C -0.349 176.790 177.300 -0.269 0.000 1.240 369 P CA -0.394 62.482 63.100 -0.375 0.000 0.791 369 P CB 0.522 31.962 31.700 -0.434 0.000 0.978 370 A N 1.243 123.998 122.820 -0.109 0.000 2.520 370 A HA 0.416 4.736 4.320 -0.000 0.000 0.235 370 A C 1.336 178.924 177.584 0.007 0.000 1.065 370 A CA 0.574 52.583 52.037 -0.048 0.000 0.764 370 A CB -1.510 17.474 19.000 -0.027 0.000 1.002 370 A HN 0.918 nan 8.150 nan 0.000 0.502 371 G N 0.946 109.650 108.800 -0.159 0.000 2.246 371 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.273 371 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.273 371 G C -0.127 174.102 174.900 -1.118 0.000 1.055 371 G CA 0.851 45.640 45.100 -0.518 0.000 0.851 371 G HN 1.205 nan 8.290 nan 0.000 0.500 372 H N -1.703 116.787 119.070 -0.967 0.000 2.529 372 H HA 0.688 5.244 4.556 -0.000 0.000 0.348 372 H C 0.120 175.088 175.328 -0.600 0.000 1.152 372 H CA -0.894 54.714 56.048 -0.734 0.000 1.202 372 H CB 1.721 31.266 29.762 -0.363 0.000 1.562 372 H HN 0.276 nan 8.280 nan 0.000 0.515 373 L N 3.009 124.123 121.223 -0.183 0.000 2.289 373 L HA 0.522 4.862 4.340 -0.000 0.000 0.285 373 L C -1.162 175.726 176.870 0.031 0.000 1.049 373 L CA -0.314 54.551 54.840 0.041 0.000 0.804 373 L CB 0.686 42.797 42.059 0.087 0.000 1.195 373 L HN 0.420 nan 8.230 nan 0.000 0.428 374 V N 4.667 124.583 119.914 0.003 0.000 2.823 374 V HA 0.694 4.814 4.120 -0.000 0.000 0.312 374 V C -0.800 175.335 176.094 0.069 0.000 1.072 374 V CA -0.465 61.766 62.300 -0.116 0.000 0.937 374 V CB 1.521 33.243 31.823 -0.168 0.000 1.013 374 V HN 0.994 nan 8.190 nan 0.000 0.430 375 W N 1.511 122.748 121.300 -0.104 0.000 2.874 375 W HA 0.820 5.480 4.660 -0.000 0.000 0.403 375 W C 0.480 176.858 176.519 -0.235 0.000 1.144 375 W CA -0.128 57.124 57.345 -0.155 0.000 1.175 375 W CB 0.120 29.500 29.460 -0.134 0.000 1.483 375 W HN 1.273 nan 8.180 nan 0.000 0.591 376 G N 0.863 109.538 108.800 -0.208 0.000 2.611 376 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.301 376 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.301 376 G C -1.247 173.600 174.900 -0.088 0.000 1.233 376 G CA 1.061 45.799 45.100 -0.603 0.000 0.993 376 G HN 1.478 nan 8.290 nan 0.000 0.553 377 Y N 0.704 120.724 120.300 -0.465 0.000 2.364 377 Y HA 0.731 5.281 4.550 -0.000 0.000 0.340 377 Y C -0.022 175.586 175.900 -0.487 0.000 0.975 377 Y CA -1.271 56.697 58.100 -0.219 0.000 1.089 377 Y CB 1.172 39.678 38.460 0.078 0.000 1.192 377 Y HN 0.561 nan 8.280 nan 0.000 0.454 378 I N 7.282 127.388 120.570 -0.774 0.000 2.599 378 I HA 0.372 4.542 4.170 -0.000 0.000 0.285 378 I C 0.014 175.816 176.117 -0.526 0.000 1.168 378 I CA -0.492 60.476 61.300 -0.553 0.000 1.060 378 I CB 2.059 39.841 38.000 -0.364 0.000 1.249 378 I HN 0.646 nan 8.210 nan 0.000 0.442 379 R N 2.981 123.230 120.500 -0.418 0.000 2.279 379 R HA 0.241 4.581 4.340 -0.000 0.000 0.195 379 R C -0.060 176.148 176.300 -0.154 0.000 0.905 379 R CA 0.228 56.167 56.100 -0.268 0.000 1.044 379 R CB 0.311 30.498 30.300 -0.188 0.000 1.056 379 R HN 0.737 nan 8.270 nan 0.000 0.535 380 N N -1.400 117.220 118.700 -0.134 0.000 3.316 380 N HA 0.211 4.951 4.740 -0.000 0.000 0.300 380 N C 0.222 175.681 175.510 -0.084 0.000 1.567 380 N CA -0.374 52.623 53.050 -0.088 0.000 0.821 380 N CB 0.264 38.720 38.487 -0.052 0.000 1.748 380 N HN -0.221 nan 8.380 nan 0.000 0.603 381 K N -0.711 119.650 120.400 -0.065 0.000 2.217 381 K HA 0.345 4.665 4.320 -0.000 0.000 0.202 381 K C 1.843 178.413 176.600 -0.050 0.000 1.051 381 K CA 1.383 57.630 56.287 -0.066 0.000 0.952 381 K CB -1.257 31.210 32.500 -0.055 0.000 0.736 381 K HN 0.646 nan 8.250 nan 0.000 0.453 382 A N 2.046 124.848 122.820 -0.030 0.000 1.855 382 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 382 A C 2.055 179.644 177.584 0.009 0.000 1.191 382 A CA 1.640 53.673 52.037 -0.007 0.000 0.613 382 A CB -0.372 18.633 19.000 0.008 0.000 0.829 382 A HN 0.512 nan 8.150 nan 0.000 0.442 383 D N -0.359 120.051 120.400 0.016 0.000 2.182 383 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 383 D C 1.756 178.104 176.300 0.080 0.000 0.986 383 D CA 1.316 55.368 54.000 0.086 0.000 0.847 383 D CB -0.335 40.447 40.800 -0.031 0.000 0.942 383 D HN 0.366 nan 8.370 nan 0.000 0.467 384 L N 0.356 121.550 121.223 -0.049 0.000 2.217 384 L HA 0.033 4.373 4.340 -0.000 0.000 0.211 384 L C 1.965 178.762 176.870 -0.122 0.000 1.107 384 L CA 1.331 56.099 54.840 -0.120 0.000 0.783 384 L CB -0.369 41.605 42.059 -0.142 0.000 0.919 384 L HN -0.056 nan 8.230 nan 0.000 0.442 385 A N -0.745 122.033 122.820 -0.070 0.000 1.970 385 A HA 0.228 4.548 4.320 -0.000 0.000 0.216 385 A C 2.240 179.780 177.584 -0.074 0.000 1.170 385 A CA 1.014 53.016 52.037 -0.058 0.000 0.645 385 A CB -0.689 18.295 19.000 -0.027 0.000 0.816 385 A HN 0.488 nan 8.150 nan 0.000 0.447 386 A N -1.776 120.989 122.820 -0.091 0.000 2.238 386 A HA 0.270 4.590 4.320 -0.000 0.000 0.210 386 A C 0.878 178.182 177.584 -0.466 0.000 1.179 386 A CA 0.584 52.510 52.037 -0.184 0.000 0.827 386 A CB -0.329 18.576 19.000 -0.157 0.000 0.856 386 A HN 0.581 nan 8.150 nan 0.000 0.488 387 H N -0.587 118.254 119.070 -0.382 0.000 2.777 387 H HA 0.348 4.904 4.556 -0.000 0.000 0.244 387 H C -0.207 174.213 175.328 -1.513 0.000 1.185 387 H CA 0.369 55.809 56.048 -1.013 0.000 0.945 387 H CB 0.590 29.895 29.762 -0.763 0.000 1.994 387 H HN 0.407 nan 8.280 nan 0.000 0.638 388 S N -0.293 114.871 115.700 -0.894 0.000 2.615 388 S HA 0.658 5.128 4.470 -0.000 0.000 0.269 388 S C -1.546 172.988 174.600 -0.109 0.000 1.161 388 S CA -0.815 57.013 58.200 -0.619 0.000 0.817 388 S CB 2.239 65.260 63.200 -0.297 0.000 1.131 388 S HN 0.078 nan 8.310 nan 0.000 0.467 389 I N 1.571 122.163 120.570 0.036 0.000 2.787 389 I HA 0.538 4.708 4.170 -0.000 0.000 0.294 389 I C -0.376 175.632 176.117 -0.183 0.000 1.365 389 I CA 0.100 61.437 61.300 0.062 0.000 1.029 389 I CB 2.328 40.470 38.000 0.237 0.000 1.313 389 I HN 1.079 nan 8.210 nan 0.000 0.431 390 S N 5.626 121.084 115.700 -0.404 0.000 2.576 390 S HA 0.262 4.732 4.470 -0.000 0.000 0.276 390 S C 0.993 175.524 174.600 -0.115 0.000 1.339 390 S CA -0.220 57.553 58.200 -0.712 0.000 1.039 390 S CB 0.343 63.187 63.200 -0.594 0.000 0.902 390 S HN 0.449 nan 8.310 nan 0.000 0.516 391 F N 0.971 120.836 119.950 -0.143 0.000 2.250 391 F HA -0.042 4.485 4.527 -0.000 0.000 0.301 391 F C 2.409 178.252 175.800 0.071 0.000 1.077 391 F CA 1.336 59.347 58.000 0.017 0.000 1.348 391 F CB -0.990 38.020 39.000 0.017 0.000 1.040 391 F HN 0.860 nan 8.300 nan 0.000 0.509 392 E N 0.458 120.775 120.200 0.195 0.000 2.046 392 E HA -0.170 4.180 4.350 -0.000 0.000 0.190 392 E C 2.435 179.108 176.600 0.122 0.000 0.982 392 E CA 1.381 57.861 56.400 0.133 0.000 0.800 392 E CB 0.011 29.753 29.700 0.070 0.000 0.756 392 E HN 0.411 nan 8.360 nan 0.000 0.449 393 E N 0.412 120.679 120.200 0.112 0.000 2.106 393 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 393 E C 1.597 178.292 176.600 0.158 0.000 0.984 393 E CA 1.236 57.704 56.400 0.113 0.000 0.806 393 E CB -0.882 28.878 29.700 0.100 0.000 0.750 393 E HN 0.413 nan 8.360 nan 0.000 0.458 394 F N 0.531 120.524 119.950 0.072 0.000 2.416 394 F HA 0.382 4.909 4.527 -0.000 0.000 0.296 394 F C 2.466 178.311 175.800 0.075 0.000 1.099 394 F CA 0.931 58.975 58.000 0.073 0.000 1.427 394 F CB 0.097 39.158 39.000 0.101 0.000 1.079 394 F HN 0.250 nan 8.300 nan 0.000 0.536 395 A N -0.329 122.592 122.820 0.168 0.000 2.167 395 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 395 A C 2.058 179.650 177.584 0.014 0.000 1.151 395 A CA 0.801 52.898 52.037 0.099 0.000 0.735 395 A CB -0.540 18.539 19.000 0.131 0.000 0.802 395 A HN 0.385 nan 8.150 nan 0.000 0.467 396 K N -0.420 119.977 120.400 -0.005 0.000 2.365 396 K HA 0.117 4.437 4.320 -0.000 0.000 0.197 396 K C -0.037 176.534 176.600 -0.049 0.000 1.042 396 K CA 0.018 56.300 56.287 -0.009 0.000 0.987 396 K CB 0.106 32.613 32.500 0.011 0.000 0.779 396 K HN 0.276 nan 8.250 nan 0.000 0.484 397 V N 2.452 122.282 119.914 -0.140 0.000 2.585 397 V HA -0.027 4.093 4.120 -0.000 0.000 0.296 397 V C -0.313 175.743 176.094 -0.063 0.000 1.035 397 V CA 0.281 62.486 62.300 -0.158 0.000 1.084 397 V CB 0.935 32.514 31.823 -0.405 0.000 0.953 397 V HN 0.185 nan 8.190 nan 0.000 0.483 398 D N 3.091 123.477 120.400 -0.023 0.000 2.381 398 D HA 0.568 5.208 4.640 -0.000 0.000 0.245 398 D C 0.056 176.350 176.300 -0.010 0.000 1.297 398 D CA 0.761 54.759 54.000 -0.002 0.000 0.931 398 D CB 0.706 41.506 40.800 0.001 0.000 1.334 398 D HN 0.762 nan 8.370 nan 0.000 0.535 399 G N 2.327 111.117 108.800 -0.017 0.000 2.530 399 G HA2 0.148 4.108 3.960 -0.000 0.000 0.081 399 G HA3 0.148 4.108 3.960 -0.000 0.000 0.081 399 G C -1.308 173.563 174.900 -0.048 0.000 1.062 399 G CA -0.670 44.411 45.100 -0.032 0.000 1.108 399 G HN 0.242 nan 8.290 nan 0.000 0.466 400 E N -0.714 119.474 120.200 -0.020 0.000 2.248 400 E HA 0.630 4.980 4.350 -0.000 0.000 0.267 400 E C -1.280 175.347 176.600 0.044 0.000 0.877 400 E CA -0.758 55.635 56.400 -0.011 0.000 0.759 400 E CB 3.134 32.813 29.700 -0.034 0.000 1.182 400 E HN 0.365 nan 8.360 nan 0.000 0.418 401 V N 1.993 121.963 119.914 0.094 0.000 2.709 401 V HA 0.503 4.623 4.120 -0.000 0.000 0.308 401 V C -0.240 175.907 176.094 0.089 0.000 1.062 401 V CA -0.593 61.777 62.300 0.117 0.000 0.901 401 V CB 2.154 34.093 31.823 0.193 0.000 1.003 401 V HN 0.754 nan 8.190 nan 0.000 0.425 408 F N 2.808 122.629 119.950 -0.215 0.000 2.588 408 F HA 0.841 5.368 4.527 -0.000 0.000 0.310 408 F C -0.795 174.956 175.800 -0.081 0.000 1.082 408 F CA -0.881 57.031 58.000 -0.147 0.000 0.929 408 F CB 1.600 40.574 39.000 -0.045 0.000 1.254 408 F HN 0.490 nan 8.300 nan 0.000 0.455 409 R N 3.641 123.519 120.500 -1.037 0.000 2.533 409 R HA 0.623 4.963 4.340 -0.000 0.000 0.288 409 R C -0.548 175.143 176.300 -1.015 0.000 1.039 409 R CA 0.014 55.662 56.100 -0.752 0.000 0.909 409 R CB 1.598 31.684 30.300 -0.357 0.000 1.195 409 R HN 1.199 nan 8.270 nan 0.000 0.438 410 G N 2.964 111.407 108.800 -0.595 0.000 2.297 410 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.209 410 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.209 410 G C -1.614 173.282 174.900 -0.007 0.000 1.267 410 G CA -0.932 43.988 45.100 -0.299 0.000 1.127 410 G HN 0.434 nan 8.290 nan 0.000 0.498 411 K N 0.631 121.107 120.400 0.126 0.000 2.156 411 K HA 0.536 4.856 4.320 -0.000 0.000 0.271 411 K C 1.244 178.030 176.600 0.309 0.000 0.995 411 K CA -0.128 56.263 56.287 0.174 0.000 0.890 411 K CB 1.908 34.477 32.500 0.113 0.000 1.073 411 K HN 0.747 nan 8.250 nan 0.000 0.454 412 G N 2.180 111.029 108.800 0.082 0.000 2.453 412 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.215 412 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.215 412 G C 1.282 176.334 174.900 0.254 0.000 1.147 412 G CA 0.621 45.680 45.100 -0.069 0.000 0.802 412 G HN 0.722 nan 8.290 nan 0.000 0.535 413 G N 1.859 110.749 108.800 0.150 0.000 2.552 413 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 413 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 413 G C 0.013 175.008 174.900 0.159 0.000 1.240 413 G CA 1.298 46.479 45.100 0.135 0.000 0.796 413 G HN 0.360 nan 8.290 nan 0.000 0.568 414 P HA -0.096 nan 4.420 nan 0.000 0.219 414 P C 1.423 178.860 177.300 0.228 0.000 1.146 414 P CA 0.628 63.826 63.100 0.163 0.000 0.808 414 P CB -0.083 31.712 31.700 0.160 0.000 0.779 415 F N -0.181 119.890 119.950 0.202 0.000 2.234 415 F HA -0.023 4.504 4.527 -0.000 0.000 0.296 415 F C 1.859 177.819 175.800 0.267 0.000 1.089 415 F CA 1.209 59.371 58.000 0.271 0.000 1.343 415 F CB -0.690 38.589 39.000 0.464 0.000 1.040 415 F HN -0.262 nan 8.300 nan 0.000 0.498 416 L N -0.292 121.058 121.223 0.212 0.000 2.240 416 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 416 L C 1.582 178.420 176.870 -0.054 0.000 1.106 416 L CA 0.836 55.684 54.840 0.014 0.000 0.793 416 L CB -0.617 41.381 42.059 -0.100 0.000 0.927 416 L HN 0.007 nan 8.230 nan 0.000 0.446 417 D N -0.703 119.687 120.400 -0.017 0.000 2.317 417 D HA -0.096 4.544 4.640 -0.000 0.000 0.211 417 D C 2.338 178.607 176.300 -0.051 0.000 0.966 417 D CA 1.242 55.221 54.000 -0.035 0.000 0.876 417 D CB 0.186 40.985 40.800 -0.002 0.000 0.927 417 D HN 0.292 nan 8.370 nan 0.000 0.519 418 S N -0.634 115.005 115.700 -0.101 0.000 2.414 418 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 418 S C 1.905 176.358 174.600 -0.245 0.000 1.022 418 S CA 0.239 58.321 58.200 -0.197 0.000 0.958 418 S CB -0.552 62.477 63.200 -0.286 0.000 0.797 418 S HN 0.074 nan 8.310 nan 0.000 0.493 419 F N 2.794 122.657 119.950 -0.145 0.000 2.187 419 F HA 0.191 4.718 4.527 -0.000 0.000 0.295 419 F C 3.023 178.799 175.800 -0.041 0.000 1.091 419 F CA 1.200 59.185 58.000 -0.025 0.000 1.308 419 F CB -0.777 38.189 39.000 -0.057 0.000 1.030 419 F HN 0.369 nan 8.300 nan 0.000 0.487 420 K N 0.414 120.860 120.400 0.077 0.000 2.097 420 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 420 K C 2.079 178.650 176.600 -0.050 0.000 1.050 420 K CA 1.631 57.910 56.287 -0.012 0.000 0.938 420 K CB -1.152 31.316 32.500 -0.054 0.000 0.718 420 K HN 0.176 nan 8.250 nan 0.000 0.442 421 K N -0.393 119.979 120.400 -0.046 0.000 2.217 421 K HA 0.011 4.331 4.320 -0.000 0.000 0.202 421 K C 2.325 178.889 176.600 -0.061 0.000 1.051 421 K CA 1.208 57.469 56.287 -0.045 0.000 0.952 421 K CB -0.143 32.335 32.500 -0.036 0.000 0.736 421 K HN 0.661 nan 8.250 nan 0.000 0.453 422 R N 0.141 120.588 120.500 -0.088 0.000 2.055 422 R HA 0.167 4.507 4.340 -0.000 0.000 0.226 422 R C 2.383 178.521 176.300 -0.270 0.000 1.135 422 R CA 1.433 57.468 56.100 -0.107 0.000 0.959 422 R CB -0.348 29.946 30.300 -0.010 0.000 0.854 422 R HN 0.343 nan 8.270 nan 0.000 0.431 423 I N 1.115 121.362 120.570 -0.538 0.000 2.264 423 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 423 I C 1.809 177.762 176.117 -0.273 0.000 1.111 423 I CA 1.584 62.459 61.300 -0.709 0.000 1.382 423 I CB 0.001 37.519 38.000 -0.804 0.000 1.060 423 I HN 0.101 nan 8.210 nan 0.000 0.418 424 K N 0.816 121.130 120.400 -0.142 0.000 2.097 424 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 424 K C 2.292 178.912 176.600 0.035 0.000 1.049 424 K CA 1.406 57.696 56.287 0.005 0.000 0.933 424 K CB -0.283 32.224 32.500 0.013 0.000 0.717 424 K HN 0.304 nan 8.250 nan 0.000 0.442 425 R N 0.045 120.534 120.500 -0.019 0.000 2.093 425 R HA 0.028 4.368 4.340 -0.000 0.000 0.224 425 R C 2.016 178.315 176.300 -0.001 0.000 1.101 425 R CA 1.086 57.189 56.100 0.006 0.000 0.979 425 R CB -0.152 30.151 30.300 0.005 0.000 0.877 425 R HN 0.165 nan 8.270 nan 0.000 0.441 426 I N 0.994 121.539 120.570 -0.041 0.000 2.202 426 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 426 I C 2.258 178.343 176.117 -0.052 0.000 1.091 426 I CA 1.068 62.350 61.300 -0.029 0.000 1.368 426 I CB -0.209 37.743 38.000 -0.079 0.000 1.058 426 I HN 0.219 nan 8.210 nan 0.000 0.410 427 L N -0.110 121.051 121.223 -0.103 0.000 2.079 427 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 427 L C 2.719 179.426 176.870 -0.272 0.000 1.081 427 L CA 1.485 56.192 54.840 -0.220 0.000 0.752 427 L CB -0.437 41.469 42.059 -0.255 0.000 0.896 427 L HN 0.290 nan 8.230 nan 0.000 0.433 428 S N -0.327 115.330 115.700 -0.072 0.000 2.348 428 S HA -0.146 4.324 4.470 -0.000 0.000 0.219 428 S C 1.745 176.314 174.600 -0.052 0.000 1.033 428 S CA 0.889 59.109 58.200 0.032 0.000 0.974 428 S CB -0.043 63.245 63.200 0.147 0.000 0.868 428 S HN 0.407 nan 8.310 nan 0.000 0.459 429 E N 0.849 121.003 120.200 -0.076 0.000 2.267 429 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 429 E C 1.367 177.739 176.600 -0.380 0.000 0.998 429 E CA 0.915 57.191 56.400 -0.207 0.000 0.830 429 E CB -0.121 29.520 29.700 -0.098 0.000 0.751 429 E HN 0.428 nan 8.360 nan 0.000 0.491 430 N N -0.585 118.025 118.700 -0.150 0.000 2.424 430 N HA 0.004 4.744 4.740 -0.000 0.000 0.178 430 N C 0.832 176.274 175.510 -0.113 0.000 1.060 430 N CA 0.976 53.999 53.050 -0.045 0.000 0.901 430 N CB 0.985 39.465 38.487 -0.011 0.000 0.979 430 N HN 0.242 nan 8.380 nan 0.000 0.451 431 G N -0.058 108.651 108.800 -0.152 0.000 2.142 431 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.225 431 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.225 431 G C 0.944 175.778 174.900 -0.109 0.000 1.015 431 G CA 0.432 45.468 45.100 -0.107 0.000 0.716 431 G HN 0.464 nan 8.290 nan 0.000 0.508 432 A N -0.848 121.780 122.820 -0.320 0.000 2.070 432 A HA 0.415 4.735 4.320 -0.000 0.000 0.220 432 A C 1.495 178.845 177.584 -0.390 0.000 1.159 432 A CA 1.872 53.615 52.037 -0.490 0.000 0.656 432 A CB -0.285 18.178 19.000 -0.896 0.000 0.800 432 A HN 0.801 nan 8.150 nan 0.000 0.453 433 F N -2.315 117.685 119.950 0.084 0.000 2.654 433 F HA 0.343 4.870 4.527 -0.000 0.000 0.303 433 F C 0.274 176.136 175.800 0.103 0.000 1.099 433 F CA -1.992 56.050 58.000 0.069 0.000 1.270 433 F CB -0.497 38.525 39.000 0.036 0.000 1.024 433 F HN 0.150 nan 8.300 nan 0.000 0.548 434 F N 3.381 123.383 119.950 0.088 0.000 2.623 434 F HA 0.063 4.590 4.527 -0.000 0.000 0.383 434 F C 1.173 177.003 175.800 0.050 0.000 1.077 434 F CA -0.124 57.904 58.000 0.047 0.000 1.268 434 F CB 0.500 39.502 39.000 0.004 0.000 1.053 434 F HN 0.198 nan 8.300 nan 0.000 0.571 435 D N 2.170 122.197 120.400 -0.622 0.000 2.503 435 D HA 0.265 4.905 4.640 -0.000 0.000 0.218 435 D C 1.256 177.162 176.300 -0.657 0.000 1.183 435 D CA 0.474 54.193 54.000 -0.468 0.000 0.827 435 D CB 0.264 40.943 40.800 -0.202 0.000 1.034 435 D HN 0.809 nan 8.370 nan 0.000 0.510 436 G N -0.679 107.276 108.800 -1.408 0.000 2.278 436 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.210 436 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.210 436 G C 0.915 175.556 174.900 -0.432 0.000 1.000 436 G CA 0.469 45.033 45.100 -0.893 0.000 0.635 436 G HN 0.486 nan 8.290 nan 0.000 0.495 437 S N -0.465 115.019 115.700 -0.361 0.000 3.429 437 S HA 0.584 5.054 4.470 -0.000 0.000 0.237 437 S C 0.906 175.557 174.600 0.084 0.000 1.037 437 S CA 2.113 60.291 58.200 -0.037 0.000 0.806 437 S CB 0.040 63.207 63.200 -0.055 0.000 0.882 437 S HN 1.651 nan 8.310 nan 0.000 0.556 438 E N -0.227 119.983 120.200 0.017 0.000 2.222 438 E HA 0.528 4.878 4.350 -0.000 0.000 0.272 438 E C 0.716 177.421 176.600 0.175 0.000 0.982 438 E CA -0.623 55.832 56.400 0.092 0.000 0.842 438 E CB 0.392 nan 29.700 nan 0.000 1.144 438 E HN 1.488 nan 8.360 nan 0.000 0.397 439 G N 0.902 109.824 108.800 0.204 0.000 2.141 439 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.231 439 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.231 439 G C 0.637 175.701 174.900 0.273 0.000 0.984 439 G CA 0.239 45.485 45.100 0.242 0.000 0.660 439 G HN 1.087 nan 8.290 nan 0.000 0.525 440 T N 1.017 115.728 114.554 0.260 0.000 2.866 440 T HA 0.474 4.824 4.350 -0.000 0.000 0.293 440 T C 1.095 175.753 174.700 -0.070 0.000 1.005 440 T CA 1.155 63.270 62.100 0.025 0.000 1.162 440 T CB 1.401 70.277 68.868 0.014 0.000 0.968 440 T HN 1.300 nan 8.240 nan 0.000 0.530 441 G N 1.196 109.894 108.800 -0.170 0.000 3.085 441 G HA2 0.338 4.298 3.960 -0.000 0.000 0.264 441 G HA3 0.338 4.298 3.960 -0.000 0.000 0.264 441 G C 0.283 175.068 174.900 -0.193 0.000 1.206 441 G CA -0.631 44.336 45.100 -0.223 0.000 0.809 441 G HN 0.764 nan 8.290 nan 0.000 0.592 442 H N -0.154 118.879 119.070 -0.062 0.000 2.423 442 H HA 0.079 4.635 4.556 -0.000 0.000 0.297 442 H C 2.625 177.909 175.328 -0.073 0.000 1.075 442 H CA 1.169 57.191 56.048 -0.043 0.000 1.342 442 H CB 0.282 30.041 29.762 -0.005 0.000 1.395 442 H HN 0.386 nan 8.280 nan 0.000 0.530 443 A N 0.266 123.086 122.820 0.000 0.000 2.206 443 A HA -0.084 4.236 4.320 -0.000 0.000 0.211 443 A C 1.636 179.147 177.584 -0.121 0.000 1.158 443 A CA 1.015 53.023 52.037 -0.049 0.000 0.761 443 A CB 0.148 19.105 19.000 -0.072 0.000 0.801 443 A HN 0.365 nan 8.150 nan 0.000 0.473 444 Q N -1.489 118.206 119.800 -0.176 0.000 2.185 444 Q HA 0.307 4.647 4.340 -0.000 0.000 0.234 444 Q C 0.689 176.591 176.000 -0.163 0.000 0.819 444 Q CA 0.887 56.530 55.803 -0.268 0.000 0.961 444 Q CB 0.784 29.177 28.738 -0.575 0.000 1.140 444 Q HN 0.504 nan 8.270 nan 0.000 0.492 449 F N -1.283 118.652 119.950 -0.024 0.000 2.779 449 F HA 0.912 5.439 4.527 -0.000 0.000 0.316 449 F C 0.002 175.769 175.800 -0.056 0.000 1.164 449 F CA -0.545 57.422 58.000 -0.056 0.000 0.924 449 F CB 1.074 40.005 39.000 -0.115 0.000 1.348 449 F HN 0.654 nan 8.300 nan 0.000 0.467 450 T N -1.298 113.452 114.554 0.326 0.000 2.916 450 T HA 0.715 5.065 4.350 -0.000 0.000 0.292 450 T C -1.392 173.420 174.700 0.188 0.000 1.055 450 T CA -0.545 61.710 62.100 0.259 0.000 1.009 450 T CB 1.530 70.488 68.868 0.151 0.000 1.118 450 T HN 0.503 nan 8.240 nan 0.000 0.497 451 F N 2.442 122.597 119.950 0.343 0.000 2.404 451 F HA 0.452 4.979 4.527 -0.000 0.000 0.358 451 F C 0.681 176.571 175.800 0.149 0.000 1.120 451 F CA -0.788 57.348 58.000 0.227 0.000 1.144 451 F CB 0.725 39.920 39.000 0.327 0.000 1.133 451 F HN 0.491 nan 8.300 nan 0.000 0.495 452 N N 3.781 122.466 118.700 -0.025 0.000 2.479 452 N HA 0.358 5.098 4.740 -0.000 0.000 0.285 452 N C -0.030 175.329 175.510 -0.252 0.000 1.075 452 N CA -0.385 52.497 53.050 -0.279 0.000 0.967 452 N CB 1.082 39.091 38.487 -0.797 0.000 1.137 452 N HN 0.435 nan 8.380 nan 0.000 0.472 453 I N 1.691 122.191 120.570 -0.117 0.000 2.836 453 I HA 0.161 4.331 4.170 -0.000 0.000 0.285 453 I C 0.368 176.335 176.117 -0.250 0.000 1.174 453 I CA 0.209 61.303 61.300 -0.344 0.000 1.405 453 I CB 0.539 38.295 38.000 -0.407 0.000 1.385 453 I HN 0.294 nan 8.210 nan 0.000 0.594 454 I N 4.463 124.842 120.570 -0.319 0.000 2.610 454 I HA 0.244 4.414 4.170 -0.000 0.000 0.289 454 I C -1.122 174.996 176.117 0.001 0.000 1.163 454 I CA -0.379 60.884 61.300 -0.062 0.000 1.044 454 I CB 1.871 39.914 38.000 0.070 0.000 1.251 454 I HN 0.607 nan 8.210 nan 0.000 0.424 455 Q N 7.659 127.442 119.800 -0.029 0.000 2.345 455 Q HA 0.591 4.931 4.340 -0.000 0.000 0.268 455 Q C -2.465 173.258 176.000 -0.463 0.000 1.054 455 Q CA -1.547 54.189 55.803 -0.111 0.000 0.835 455 Q CB 2.394 31.070 28.738 -0.104 0.000 1.339 455 Q HN 0.350 nan 8.270 nan 0.000 0.447 456 P HA 0.180 nan 4.420 nan 0.000 0.289 456 P C -1.221 175.827 177.300 -0.421 0.000 1.300 456 P CA -0.631 61.897 63.100 -0.953 0.000 0.828 456 P CB 0.686 31.813 31.700 -0.955 0.000 1.235 457 Y N 0.109 120.241 120.300 -0.279 0.000 2.610 457 Y HA -0.012 4.538 4.550 -0.000 0.000 0.332 457 Y C 2.100 177.942 175.900 -0.097 0.000 1.201 457 Y CA 0.767 58.787 58.100 -0.133 0.000 1.465 457 Y CB 0.205 38.613 38.460 -0.086 0.000 1.283 457 Y HN 0.267 nan 8.280 nan 0.000 0.563 458 Q N 1.654 121.510 119.800 0.093 0.000 2.378 458 Q HA 0.109 4.449 4.340 -0.000 0.000 0.216 458 Q C -0.547 175.490 176.000 0.062 0.000 0.892 458 Q CA 0.554 56.384 55.803 0.046 0.000 0.931 458 Q CB 0.281 29.029 28.738 0.016 0.000 1.086 458 Q HN 0.890 nan 8.270 nan 0.000 0.528 459 D N -2.705 117.744 120.400 0.082 0.000 2.665 459 D HA 0.550 5.190 4.640 -0.000 0.000 0.287 459 D C 0.312 176.624 176.300 0.021 0.000 1.266 459 D CA -0.213 53.819 54.000 0.054 0.000 0.830 459 D CB 0.545 41.368 40.800 0.039 0.000 1.356 459 D HN 0.074 nan 8.370 nan 0.000 0.437 460 G N 0.151 108.949 108.800 -0.004 0.000 2.593 460 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.237 460 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.237 460 G C 0.458 175.299 174.900 -0.098 0.000 1.312 460 G CA 0.496 45.566 45.100 -0.049 0.000 0.896 460 G HN 0.803 nan 8.290 nan 0.000 0.574 461 D N 0.655 120.977 120.400 -0.130 0.000 2.123 461 D HA -0.039 4.601 4.640 -0.000 0.000 0.196 461 D C 0.498 176.685 176.300 -0.189 0.000 0.992 461 D CA 2.087 55.988 54.000 -0.165 0.000 0.833 461 D CB -0.387 40.325 40.800 -0.146 0.000 0.954 461 D HN 0.301 nan 8.370 nan 0.000 0.455 462 P HA 0.012 nan 4.420 nan 0.000 0.255 462 P C -0.039 177.170 177.300 -0.151 0.000 1.248 462 P CA -0.036 62.869 63.100 -0.325 0.000 0.807 462 P CB -0.249 30.962 31.700 -0.815 0.000 1.150 463 R N 1.387 121.853 120.500 -0.057 0.000 2.494 463 R HA 0.262 4.602 4.340 -0.000 0.000 0.291 463 R C 0.646 177.017 176.300 0.118 0.000 0.953 463 R CA 1.520 57.663 56.100 0.072 0.000 1.098 463 R CB -0.676 29.682 30.300 0.097 0.000 0.911 463 R HN 0.309 nan 8.270 nan 0.000 0.407 467 P HA 0.202 nan 4.420 nan 0.000 0.286 467 P C -0.444 176.943 177.300 0.146 0.000 1.293 467 P CA -0.274 62.950 63.100 0.206 0.000 0.770 467 P CB 0.607 32.355 31.700 0.079 0.000 1.206 468 T N 0.877 115.496 114.554 0.108 0.000 2.729 468 T HA 0.434 4.784 4.350 -0.000 0.000 0.296 468 T C 0.267 175.012 174.700 0.075 0.000 0.928 468 T CA 0.152 62.292 62.100 0.067 0.000 1.045 468 T CB -0.703 68.198 68.868 0.054 0.000 0.902 468 T HN 0.168 nan 8.240 nan 0.000 0.500 469 I N 4.071 124.685 120.570 0.073 0.000 2.465 469 I HA 0.460 4.630 4.170 -0.000 0.000 0.291 469 I C -0.904 175.206 176.117 -0.011 0.000 1.014 469 I CA -1.003 60.325 61.300 0.047 0.000 1.093 469 I CB 2.020 40.079 38.000 0.098 0.000 1.267 469 I HN 0.338 nan 8.210 nan 0.000 0.431 470 L N 8.340 129.558 121.223 -0.008 0.000 2.343 470 L HA 0.637 4.977 4.340 -0.000 0.000 0.278 470 L C -1.071 175.715 176.870 -0.140 0.000 0.996 470 L CA -0.087 54.715 54.840 -0.063 0.000 0.831 470 L CB 1.117 43.169 42.059 -0.012 0.000 1.232 470 L HN 0.392 nan 8.230 nan 0.000 0.413 471 I N 5.770 126.196 120.570 -0.240 0.000 2.378 471 I HA 0.522 4.692 4.170 -0.000 0.000 0.291 471 I C -0.353 175.656 176.117 -0.179 0.000 0.992 471 I CA -0.430 60.755 61.300 -0.193 0.000 1.154 471 I CB 1.553 39.407 38.000 -0.244 0.000 1.315 471 I HN 0.718 nan 8.210 nan 0.000 0.448 472 Q N 6.117 125.861 119.800 -0.093 0.000 2.693 472 Q HA 0.653 4.993 4.340 -0.000 0.000 0.306 472 Q C -3.021 172.966 176.000 -0.021 0.000 0.969 472 Q CA -1.920 53.848 55.803 -0.058 0.000 0.757 472 Q CB 1.650 30.368 28.738 -0.033 0.000 1.494 472 Q HN 0.212 nan 8.270 nan 0.000 0.459 473 P HA 0.225 nan 4.420 nan 0.000 0.278 473 P C -0.918 176.384 177.300 0.002 0.000 1.238 473 P CA -0.454 62.647 63.100 0.001 0.000 0.794 473 P CB 0.452 32.151 31.700 -0.001 0.000 0.955 474 N N 2.226 120.932 118.700 0.009 0.000 2.492 474 N HA 0.066 4.806 4.740 -0.000 0.000 0.260 474 N C 0.373 175.886 175.510 0.005 0.000 1.215 474 N CA 0.184 53.239 53.050 0.009 0.000 0.923 474 N CB 0.116 38.611 38.487 0.014 0.000 1.092 474 N HN 0.378 nan 8.380 nan 0.000 0.448 475 N N 0.000 118.702 118.700 0.003 0.000 1.763 475 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 475 N CA 0.000 53.051 53.050 0.001 0.000 0.885 475 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 475 N HN 0.000 nan 8.380 nan 0.000 0.667