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 3b3q_1_B DATA FIRST_RESID 52 DATA SEQUENCE DPLVTTNFGK IRGIKKELNN EILGPVIQFL GVPYAAPPTG EHRFQPPEPP DATA SEQUENCE SPWSDIRNAT QFAPVcPQNI IDGRLPEVML PVWFTNNLDV VSSYVQDQSE DATA SEQUENCE DcLYLNIYVP TEDXXXXXXX XXXXXXXXXX XXXXXXXXGG PKPVMVYIHG DATA SEQUENCE GSYMEGTGNL YDGSVLASYG NVIVITVNYR LGVLGFLSTG DQAAKGNYGL DATA SEQUENCE LDLIQALRWT SENIGFFGGD PLRITVFGSG AGGSCVNLLT LSHYSEXXXX DATA SEQUENCE XXXXXGLFQR AIAQSGTALS SWAVSFQPAK YARILATKVG cQVSDTVELV DATA SEQUENCE EcLQKKPYKE LVDQDVQPAR YHIAFGPVID GDVIPDDPQI LMEQGEFLNY DATA SEQUENCE DIMLGVNQGE GLKFVENIVD SDDGVSASDF DFAVSNFVDN LYGYXXXXDV DATA SEQUENCE LRETIKFMYT DWADRHNPET RRKTLLALFT DHQWVAPAVA TADLHSNFGS DATA SEQUENCE PTYFYAFYHH cQTDQVPAWA DAAHGDEVPY VLGIPMIGPT ELFPcNFSKN DATA SEQUENCE DVMLSAVVMT YWTNFAKTGD PNQPVPQDXX XXXXXXXXFE EVAWTRYSQK DATA SEQUENCE DQLYLHIGLK PRVKEHYRAN KVNLWLELVP HLHN 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 52 D HA 0.000 nan 4.640 nan 0.000 0.175 52 D C 0.000 176.317 176.300 0.028 0.000 2.045 52 D CA 0.000 54.006 54.000 0.010 0.000 0.868 52 D CB 0.000 40.808 40.800 0.013 0.000 0.688 53 P HA 0.504 nan 4.420 nan 0.000 0.287 53 P C -0.949 176.442 177.300 0.153 0.000 1.307 53 P CA -0.474 62.667 63.100 0.069 0.000 0.777 53 P CB 0.795 32.499 31.700 0.007 0.000 0.883 54 L N 3.526 124.853 121.223 0.174 0.000 2.381 54 L HA 0.566 4.947 4.340 0.069 0.000 0.268 54 L C -0.223 176.729 176.870 0.137 0.000 0.997 54 L CA -0.807 54.150 54.840 0.195 0.000 0.818 54 L CB 2.449 44.577 42.059 0.115 0.000 1.310 54 L HN 0.123 nan 8.230 nan 0.000 0.416 55 V N 0.394 120.358 119.914 0.083 0.000 2.876 55 V HA 0.618 4.780 4.120 0.069 0.000 0.312 55 V C -0.420 175.569 176.094 -0.176 0.000 1.085 55 V CA -0.631 61.560 62.300 -0.181 0.000 0.945 55 V CB 2.464 33.889 31.823 -0.663 0.000 1.017 55 V HN 0.754 nan 8.190 nan 0.000 0.428 56 T N 2.900 117.286 114.554 -0.279 0.000 2.767 56 T HA 0.583 4.974 4.350 0.069 0.000 0.284 56 T C 0.142 174.508 174.700 -0.556 0.000 0.973 56 T CA -0.352 61.554 62.100 -0.323 0.000 0.996 56 T CB 1.194 69.859 68.868 -0.338 0.000 0.927 56 T HN 0.979 nan 8.240 nan 0.000 0.456 57 T N 0.237 114.566 114.554 -0.375 0.000 2.938 57 T HA 0.364 4.755 4.350 0.069 0.000 0.285 57 T C 1.052 175.478 174.700 -0.456 0.000 1.028 57 T CA -0.987 60.896 62.100 -0.362 0.000 1.005 57 T CB 0.869 69.842 68.868 0.175 0.000 1.157 57 T HN 0.212 nan 8.240 nan 0.000 0.550 58 N N -0.326 118.124 118.700 -0.416 0.000 2.651 58 N HA 0.050 4.831 4.740 0.069 0.000 0.193 58 N C 0.247 175.235 175.510 -0.871 0.000 1.149 58 N CA 0.707 53.383 53.050 -0.624 0.000 0.933 58 N CB -0.620 37.468 38.487 -0.665 0.000 0.974 58 N HN 0.630 nan 8.380 nan 0.000 0.448 59 F N -1.618 118.133 119.950 -0.332 0.000 2.789 59 F HA 0.416 4.984 4.527 0.070 0.000 0.320 59 F C 1.434 176.548 175.800 -1.144 0.000 1.079 59 F CA 0.075 57.774 58.000 -0.502 0.000 1.205 59 F CB 0.855 39.702 39.000 -0.255 0.000 1.046 59 F HN -0.024 nan 8.300 nan 0.000 0.586 60 G N 0.319 108.560 108.800 -0.931 0.000 2.345 60 G HA2 0.208 4.209 3.960 0.069 0.000 0.285 60 G HA3 0.208 4.209 3.960 0.069 0.000 0.285 60 G C -1.731 172.971 174.900 -0.330 0.000 1.297 60 G CA -1.197 43.255 45.100 -1.079 0.000 0.875 60 G HN -0.124 nan 8.290 nan 0.000 0.506 61 K N 0.227 120.687 120.400 0.100 0.000 2.159 61 K HA 0.683 5.044 4.320 0.069 0.000 0.266 61 K C -0.144 176.787 176.600 0.552 0.000 0.975 61 K CA -0.553 55.891 56.287 0.262 0.000 0.865 61 K CB 2.026 34.621 32.500 0.158 0.000 1.087 61 K HN 0.651 nan 8.250 nan 0.000 0.446 62 I N -1.193 119.624 120.570 0.412 0.000 2.608 62 I HA 0.527 4.738 4.170 0.069 0.000 0.295 62 I C -0.761 175.593 176.117 0.396 0.000 1.049 62 I CA -1.152 60.407 61.300 0.432 0.000 1.063 62 I CB 2.115 40.425 38.000 0.517 0.000 1.248 62 I HN 0.515 nan 8.210 nan 0.000 0.424 63 R N 3.754 124.446 120.500 0.319 0.000 2.338 63 R HA 0.668 5.049 4.340 0.069 0.000 0.317 63 R C -0.051 176.352 176.300 0.172 0.000 0.968 63 R CA -0.314 55.931 56.100 0.242 0.000 0.849 63 R CB 1.684 32.054 30.300 0.116 0.000 1.128 63 R HN 1.036 nan 8.270 nan 0.000 0.448 64 G N 3.448 112.231 108.800 -0.028 0.000 2.509 64 G HA2 0.411 4.412 3.960 0.069 0.000 0.269 64 G HA3 0.411 4.412 3.960 0.069 0.000 0.269 64 G C -0.799 173.919 174.900 -0.303 0.000 1.416 64 G CA -0.659 44.131 45.100 -0.518 0.000 1.052 64 G HN 0.612 nan 8.290 nan 0.000 0.542 65 I N -1.258 119.101 120.570 -0.352 0.000 2.827 65 I HA 0.432 4.643 4.170 0.069 0.000 0.298 65 I C -0.559 175.443 176.117 -0.191 0.000 1.235 65 I CA -0.935 60.238 61.300 -0.211 0.000 1.021 65 I CB 2.257 40.151 38.000 -0.176 0.000 1.259 65 I HN 0.407 nan 8.210 nan 0.000 0.427 66 K N 4.804 125.132 120.400 -0.120 0.000 2.118 66 K HA 0.402 4.763 4.320 0.069 0.000 0.264 66 K C -1.169 175.396 176.600 -0.059 0.000 1.000 66 K CA -0.441 55.798 56.287 -0.079 0.000 0.929 66 K CB 1.233 33.703 32.500 -0.050 0.000 1.021 66 K HN 0.513 nan 8.250 nan 0.000 0.463 67 K N 2.491 122.874 120.400 -0.029 0.000 2.565 67 K HA 0.192 4.554 4.320 0.069 0.000 0.251 67 K C -1.703 174.901 176.600 0.007 0.000 0.956 67 K CA -0.333 55.948 56.287 -0.010 0.000 0.809 67 K CB 1.368 33.873 32.500 0.009 0.000 1.267 67 K HN 0.545 nan 8.250 nan 0.000 0.438 68 E N 4.337 124.538 120.200 0.001 0.000 2.191 68 E HA 0.352 4.743 4.350 0.069 0.000 0.274 68 E C -0.385 176.217 176.600 0.004 0.000 0.948 68 E CA -1.231 55.172 56.400 0.004 0.000 0.802 68 E CB 1.337 31.036 29.700 -0.002 0.000 1.137 68 E HN 0.285 nan 8.360 nan 0.000 0.397 69 L N 2.005 123.231 121.223 0.005 0.000 2.421 69 L HA 0.184 4.565 4.340 0.069 0.000 0.263 69 L C 1.029 177.895 176.870 -0.008 0.000 1.122 69 L CA -0.376 54.462 54.840 -0.002 0.000 0.804 69 L CB 0.034 42.091 42.059 -0.004 0.000 1.150 69 L HN 0.492 nan 8.230 nan 0.000 0.457 70 N N 2.120 120.812 118.700 -0.014 0.000 2.530 70 N HA -0.060 4.721 4.740 0.069 0.000 0.216 70 N C -0.202 175.299 175.510 -0.016 0.000 1.315 70 N CA 0.288 53.330 53.050 -0.014 0.000 0.858 70 N CB -0.321 38.157 38.487 -0.015 0.000 1.138 70 N HN 0.495 nan 8.380 nan 0.000 0.473 71 N N 0.606 119.298 118.700 -0.013 0.000 2.454 71 N HA 0.064 4.845 4.740 0.069 0.000 0.291 71 N C -0.833 174.676 175.510 -0.003 0.000 1.079 71 N CA -0.183 52.861 53.050 -0.010 0.000 0.893 71 N CB 1.252 39.730 38.487 -0.015 0.000 1.512 71 N HN -0.015 nan 8.380 nan 0.000 0.497 72 E N 4.156 124.355 120.200 -0.002 0.000 2.320 72 E HA 0.187 4.578 4.350 0.069 0.000 0.234 72 E C 0.569 177.169 176.600 0.000 0.000 1.290 72 E CA -0.015 56.385 56.400 -0.001 0.000 1.545 72 E CB 0.507 30.206 29.700 -0.002 0.000 1.379 72 E HN 0.525 nan 8.360 nan 0.000 0.437 73 I N -0.226 120.346 120.570 0.003 0.000 4.592 73 I HA 0.121 4.332 4.170 0.069 0.000 0.329 73 I C 0.370 176.488 176.117 0.003 0.000 1.309 73 I CA 0.221 61.522 61.300 0.003 0.000 1.243 73 I CB 0.403 38.409 38.000 0.009 0.000 1.241 73 I HN 0.117 nan 8.210 nan 0.000 0.434 74 L N 1.649 122.878 121.223 0.010 0.000 2.296 74 L HA 0.565 4.946 4.340 0.069 0.000 0.286 74 L C 0.735 177.612 176.870 0.012 0.000 1.023 74 L CA -0.539 54.311 54.840 0.016 0.000 0.812 74 L CB 1.657 43.737 42.059 0.034 0.000 1.223 74 L HN 0.050 nan 8.230 nan 0.000 0.421 75 G N 3.800 112.606 108.800 0.009 0.000 2.406 75 G HA2 0.334 4.336 3.960 0.069 0.000 0.251 75 G HA3 0.334 4.336 3.960 0.069 0.000 0.251 75 G C -2.302 172.613 174.900 0.024 0.000 1.271 75 G CA -0.717 44.390 45.100 0.013 0.000 0.859 75 G HN 0.323 nan 8.290 nan 0.000 0.540 76 P HA 0.146 nan 4.420 nan 0.000 0.271 76 P C 0.153 177.479 177.300 0.044 0.000 1.233 76 P CA -0.036 63.081 63.100 0.028 0.000 0.795 76 P CB 0.797 32.507 31.700 0.015 0.000 0.936 77 V N -2.622 117.325 119.914 0.055 0.000 3.001 77 V HA 0.596 4.757 4.120 0.069 0.000 0.314 77 V C -0.341 175.777 176.094 0.041 0.000 1.099 77 V CA -1.167 61.182 62.300 0.081 0.000 0.989 77 V CB 1.693 33.603 31.823 0.145 0.000 1.040 77 V HN 0.166 nan 8.190 nan 0.000 0.434 78 I N 3.520 124.109 120.570 0.032 0.000 2.336 78 I HA 0.475 4.686 4.170 0.069 0.000 0.292 78 I C 0.216 176.245 176.117 -0.147 0.000 0.991 78 I CA 0.083 61.327 61.300 -0.093 0.000 1.227 78 I CB 1.596 39.531 38.000 -0.108 0.000 1.366 78 I HN 0.909 nan 8.210 nan 0.000 0.466 79 Q N 5.828 125.456 119.800 -0.287 0.000 2.331 79 Q HA 0.558 4.939 4.340 0.069 0.000 0.267 79 Q C -1.642 174.086 176.000 -0.454 0.000 1.006 79 Q CA -0.604 54.992 55.803 -0.345 0.000 0.818 79 Q CB 1.593 30.115 28.738 -0.361 0.000 1.276 79 Q HN 0.381 nan 8.270 nan 0.000 0.450 80 F N 2.917 122.790 119.950 -0.128 0.000 2.334 80 F HA 0.331 4.899 4.527 0.068 0.000 0.367 80 F C -0.762 174.975 175.800 -0.105 0.000 1.115 80 F CA -0.844 57.138 58.000 -0.031 0.000 1.116 80 F CB 0.893 39.974 39.000 0.135 0.000 1.230 80 F HN 0.413 nan 8.300 nan 0.000 0.484 81 L N 2.524 123.747 121.223 0.001 0.000 2.307 81 L HA 0.636 5.017 4.340 0.069 0.000 0.284 81 L C 0.695 177.587 176.870 0.037 0.000 1.023 81 L CA -0.770 54.047 54.840 -0.037 0.000 0.810 81 L CB 1.189 43.080 42.059 -0.279 0.000 1.231 81 L HN 0.780 nan 8.230 nan 0.000 0.423 82 G N 2.813 111.688 108.800 0.125 0.000 2.182 82 G HA2 -0.172 3.830 3.960 0.069 0.000 0.248 82 G HA3 -0.172 3.830 3.960 0.069 0.000 0.248 82 G C -0.071 174.911 174.900 0.137 0.000 1.042 82 G CA -0.048 45.089 45.100 0.062 0.000 0.775 82 G HN 0.424 nan 8.290 nan 0.000 0.501 83 V N 2.263 122.278 119.914 0.169 0.000 2.439 83 V HA 0.344 4.506 4.120 0.069 0.000 0.271 83 V C -1.126 175.014 176.094 0.078 0.000 1.040 83 V CA -1.043 61.329 62.300 0.120 0.000 1.002 83 V CB 1.145 32.980 31.823 0.021 0.000 1.000 83 V HN 0.329 nan 8.190 nan 0.000 0.477 84 P HA 0.133 nan 4.420 nan 0.000 0.281 84 P C -0.434 176.605 177.300 -0.435 0.000 1.286 84 P CA -0.088 62.872 63.100 -0.234 0.000 0.772 84 P CB 0.305 31.929 31.700 -0.126 0.000 0.862 85 Y N 2.410 122.339 120.300 -0.620 0.000 2.468 85 Y HA 0.687 5.278 4.550 0.067 0.000 0.268 85 Y C 0.123 175.821 175.900 -0.338 0.000 1.177 85 Y CA -0.862 56.788 58.100 -0.749 0.000 1.265 85 Y CB 0.170 38.241 38.460 -0.648 0.000 1.103 85 Y HN 0.443 nan 8.280 nan 0.000 0.522 86 A N 0.557 123.000 122.820 -0.629 0.000 2.597 86 A HA 0.767 5.128 4.320 0.069 0.000 0.292 86 A C -0.861 176.464 177.584 -0.432 0.000 1.057 86 A CA -0.733 51.030 52.037 -0.456 0.000 0.674 86 A CB 0.064 18.754 19.000 -0.517 0.000 1.278 86 A HN 0.645 nan 8.150 nan 0.000 0.416 87 A N 1.419 124.063 122.820 -0.292 0.000 2.483 87 A HA 0.605 4.967 4.320 0.069 0.000 0.238 87 A C -2.391 175.023 177.584 -0.283 0.000 1.070 87 A CA -0.834 51.052 52.037 -0.252 0.000 0.770 87 A CB -0.789 18.078 19.000 -0.223 0.000 1.008 87 A HN 0.493 nan 8.150 nan 0.000 0.497 88 P HA 0.135 nan 4.420 nan 0.000 0.264 88 P C -2.301 174.906 177.300 -0.155 0.000 1.193 88 P CA -0.689 62.294 63.100 -0.195 0.000 0.763 88 P CB 0.131 31.767 31.700 -0.105 0.000 0.810 89 P HA 0.044 nan 4.420 nan 0.000 0.220 89 P C -0.427 176.805 177.300 -0.112 0.000 1.778 89 P CA 0.032 63.057 63.100 -0.125 0.000 0.912 89 P CB -0.376 31.223 31.700 -0.168 0.000 1.861 90 T N -4.340 110.187 114.554 -0.046 0.000 2.952 90 T HA 0.616 5.007 4.350 0.069 0.000 0.286 90 T C 0.993 175.665 174.700 -0.047 0.000 1.024 90 T CA 0.170 62.233 62.100 -0.063 0.000 1.029 90 T CB 1.652 70.499 68.868 -0.036 0.000 1.094 90 T HN 0.266 nan 8.240 nan 0.000 0.515 91 G N 1.427 110.178 108.800 -0.082 0.000 2.646 91 G HA2 -0.420 3.582 3.960 0.069 0.000 0.324 91 G HA3 -0.420 3.582 3.960 0.069 0.000 0.324 91 G C 0.872 175.685 174.900 -0.145 0.000 1.195 91 G CA 0.898 45.944 45.100 -0.090 0.000 0.976 91 G HN 1.101 nan 8.290 nan 0.000 0.546 92 E N 0.356 120.424 120.200 -0.220 0.000 2.358 92 E HA -0.080 4.311 4.350 0.069 0.000 0.195 92 E C 1.748 178.124 176.600 -0.373 0.000 1.010 92 E CA 0.946 57.161 56.400 -0.309 0.000 0.856 92 E CB -0.147 29.319 29.700 -0.390 0.000 0.795 92 E HN 0.746 nan 8.360 nan 0.000 0.504 93 H N 0.075 119.091 119.070 -0.091 0.000 2.539 93 H HA 0.131 4.728 4.556 0.068 0.000 0.269 93 H C 0.516 175.722 175.328 -0.203 0.000 0.980 93 H CA -0.037 55.944 56.048 -0.110 0.000 1.152 93 H CB -0.063 29.644 29.762 -0.092 0.000 1.407 93 H HN 0.035 nan 8.280 nan 0.000 0.564 94 R N 0.556 120.929 120.500 -0.213 0.000 2.590 94 R HA -0.044 4.337 4.340 0.069 0.000 0.274 94 R C -0.261 175.732 176.300 -0.513 0.000 1.061 94 R CA -0.139 55.666 56.100 -0.492 0.000 1.081 94 R CB -0.011 29.915 30.300 -0.623 0.000 0.984 94 R HN -0.005 nan 8.270 nan 0.000 0.448 95 F N 0.483 120.110 119.950 -0.537 0.000 3.090 95 F HA -0.274 4.293 4.527 0.067 0.000 0.282 95 F C -0.264 175.091 175.800 -0.742 0.000 0.923 95 F CA 0.895 58.286 58.000 -1.014 0.000 0.977 95 F CB -1.584 37.151 39.000 -0.441 0.000 0.954 95 F HN 0.554 nan 8.300 nan 0.000 0.695 96 Q N -0.987 118.582 119.800 -0.384 0.000 2.421 96 Q HA 0.524 4.905 4.340 0.069 0.000 0.280 96 Q C -2.328 173.741 176.000 0.115 0.000 1.085 96 Q CA -2.041 53.766 55.803 0.007 0.000 0.807 96 Q CB 2.119 30.899 28.738 0.070 0.000 1.405 96 Q HN -0.190 nan 8.270 nan 0.000 0.419 97 P HA 0.029 nan 4.420 nan 0.000 0.267 97 P C -2.332 175.023 177.300 0.092 0.000 1.201 97 P CA -0.455 62.753 63.100 0.180 0.000 0.775 97 P CB -0.225 31.573 31.700 0.162 0.000 0.854 98 P HA 0.269 nan 4.420 nan 0.000 0.277 98 P C -0.591 176.705 177.300 -0.007 0.000 1.240 98 P CA 0.056 63.153 63.100 -0.005 0.000 0.798 98 P CB 0.819 32.526 31.700 0.011 0.000 0.979 99 E N 1.879 122.026 120.200 -0.087 0.000 2.249 99 E HA 0.521 4.912 4.350 0.069 0.000 0.263 99 E C -2.384 174.184 176.600 -0.053 0.000 0.950 99 E CA -2.574 53.784 56.400 -0.070 0.000 0.827 99 E CB 0.698 30.291 29.700 -0.179 0.000 1.220 99 E HN 0.285 nan 8.360 nan 0.000 0.411 100 P HA 0.149 nan 4.420 nan 0.000 0.272 100 P C -2.539 174.717 177.300 -0.074 0.000 1.230 100 P CA -1.055 62.073 63.100 0.046 0.000 0.788 100 P CB -0.086 31.737 31.700 0.206 0.000 0.949 101 P HA 0.076 nan 4.420 nan 0.000 0.274 101 P C -0.420 176.821 177.300 -0.098 0.000 1.231 101 P CA 0.072 63.008 63.100 -0.274 0.000 0.790 101 P CB 0.484 31.922 31.700 -0.436 0.000 0.951 102 S N 2.707 118.439 115.700 0.054 0.000 2.580 102 S HA 0.365 4.876 4.470 0.069 0.000 0.274 102 S C -1.956 172.845 174.600 0.335 0.000 1.329 102 S CA -0.619 57.691 58.200 0.183 0.000 1.036 102 S CB -0.413 62.873 63.200 0.143 0.000 0.919 102 S HN 0.437 nan 8.310 nan 0.000 0.515 103 P HA 0.500 nan 4.420 nan 0.000 0.281 103 P C -1.326 176.137 177.300 0.272 0.000 1.264 103 P CA -0.721 62.516 63.100 0.228 0.000 0.824 103 P CB 0.446 32.199 31.700 0.088 0.000 1.092 104 W N -0.951 120.434 121.300 0.142 0.000 2.883 104 W HA 0.643 5.344 4.660 0.069 0.000 0.335 104 W C -0.976 175.585 176.519 0.070 0.000 1.083 104 W CA -0.871 56.531 57.345 0.094 0.000 1.233 104 W CB 0.452 29.968 29.460 0.094 0.000 1.412 104 W HN 0.075 nan 8.180 nan 0.000 0.490 105 S N 3.544 119.366 115.700 0.203 0.000 3.729 105 S HA 0.198 4.709 4.470 0.069 0.000 0.235 105 S C -0.835 173.888 174.600 0.206 0.000 1.367 105 S CA 0.064 58.337 58.200 0.121 0.000 0.907 105 S CB -0.928 62.316 63.200 0.073 0.000 1.471 105 S HN 0.499 nan 8.310 nan 0.000 0.476 106 D N 1.030 121.633 120.400 0.338 0.000 2.742 106 D HA 0.173 4.854 4.640 0.069 0.000 0.262 106 D C -1.124 175.418 176.300 0.404 0.000 1.240 106 D CA -0.570 53.633 54.000 0.338 0.000 0.752 106 D CB 1.365 42.349 40.800 0.308 0.000 1.290 106 D HN 0.341 nan 8.370 nan 0.000 0.420 107 I N 0.408 121.118 120.570 0.233 0.000 2.308 107 I HA 0.435 4.646 4.170 0.069 0.000 0.293 107 I C 0.515 176.716 176.117 0.140 0.000 1.078 107 I CA -0.548 60.880 61.300 0.213 0.000 1.292 107 I CB 0.732 38.807 38.000 0.126 0.000 1.423 107 I HN -0.006 nan 8.210 nan 0.000 0.493 108 R N 5.273 125.870 120.500 0.162 0.000 2.308 108 R HA 0.287 4.668 4.340 0.069 0.000 0.305 108 R C -0.603 175.690 176.300 -0.012 0.000 1.053 108 R CA -0.608 55.421 56.100 -0.118 0.000 0.957 108 R CB 0.712 30.663 30.300 -0.582 0.000 1.022 108 R HN 0.629 nan 8.270 nan 0.000 0.461 109 N N 2.761 121.424 118.700 -0.062 0.000 2.411 109 N HA 0.113 4.895 4.740 0.069 0.000 0.259 109 N C -0.803 174.689 175.510 -0.029 0.000 1.103 109 N CA 0.064 53.099 53.050 -0.026 0.000 0.954 109 N CB 1.815 40.273 38.487 -0.049 0.000 1.085 109 N HN 0.574 nan 8.380 nan 0.000 0.485 110 A N 1.594 124.438 122.820 0.040 0.000 3.215 110 A HA 0.259 4.620 4.320 0.069 0.000 0.320 110 A C 1.038 178.607 177.584 -0.025 0.000 1.084 110 A CA -0.553 51.516 52.037 0.053 0.000 0.969 110 A CB -0.379 18.761 19.000 0.233 0.000 1.064 110 A HN 0.604 nan 8.150 nan 0.000 0.513 111 T N -3.117 111.384 114.554 -0.088 0.000 2.975 111 T HA 0.301 4.692 4.350 0.069 0.000 0.257 111 T C 0.385 174.966 174.700 -0.199 0.000 1.003 111 T CA 0.093 62.108 62.100 -0.142 0.000 0.932 111 T CB -0.039 68.760 68.868 -0.114 0.000 1.087 111 T HN 0.503 nan 8.240 nan 0.000 0.512 112 Q N 0.280 119.967 119.800 -0.189 0.000 2.397 112 Q HA 0.589 4.970 4.340 0.069 0.000 0.275 112 Q C -1.422 174.477 176.000 -0.169 0.000 1.090 112 Q CA -1.117 54.550 55.803 -0.227 0.000 0.809 112 Q CB 1.577 30.227 28.738 -0.147 0.000 1.362 112 Q HN 0.132 nan 8.270 nan 0.000 0.431 113 F N 1.486 121.381 119.950 -0.092 0.000 2.607 113 F HA 0.194 4.765 4.527 0.073 0.000 0.374 113 F C 0.899 176.600 175.800 -0.165 0.000 1.104 113 F CA -0.170 57.774 58.000 -0.093 0.000 1.296 113 F CB 0.139 39.106 39.000 -0.056 0.000 1.085 113 F HN 0.614 nan 8.300 nan 0.000 0.584 114 A N 5.455 128.253 122.820 -0.036 0.000 2.287 114 A HA 0.579 4.940 4.320 0.069 0.000 0.273 114 A C -2.233 175.266 177.584 -0.142 0.000 1.091 114 A CA -1.497 50.360 52.037 -0.300 0.000 0.817 114 A CB -0.442 17.980 19.000 -0.964 0.000 1.069 114 A HN 0.495 nan 8.150 nan 0.000 0.492 115 P HA 0.222 nan 4.420 nan 0.000 0.267 115 P C 0.167 177.449 177.300 -0.031 0.000 1.200 115 P CA 0.009 63.070 63.100 -0.064 0.000 0.772 115 P CB 0.220 31.887 31.700 -0.055 0.000 0.855 116 V N 0.759 120.653 119.914 -0.034 0.000 3.336 116 V HA 0.301 4.462 4.120 0.069 0.000 0.304 116 V C 0.228 176.295 176.094 -0.045 0.000 1.073 116 V CA -0.564 61.717 62.300 -0.031 0.000 1.074 116 V CB 0.153 31.947 31.823 -0.049 0.000 1.161 116 V HN 0.543 nan 8.190 nan 0.000 0.460 117 c N 2.486 121.055 118.600 -0.051 0.000 2.605 117 c HA 0.409 5.020 4.570 0.069 0.000 0.404 117 c C -2.064 171.972 174.090 -0.091 0.000 1.284 117 c CA -0.333 55.943 56.329 -0.090 0.000 2.199 117 c CB -0.225 42.240 42.510 -0.075 0.000 2.647 117 c HN 0.811 nan 8.230 nan 0.000 0.604 118 P HA 0.116 nan 4.420 nan 0.000 0.264 118 P C -0.540 176.765 177.300 0.008 0.000 1.193 118 P CA 0.633 63.675 63.100 -0.096 0.000 0.763 118 P CB 0.226 31.784 31.700 -0.236 0.000 0.810 119 Q N 2.133 121.963 119.800 0.050 0.000 2.685 119 Q HA 0.451 4.832 4.340 0.069 0.000 0.301 119 Q C -1.682 174.361 176.000 0.072 0.000 0.924 119 Q CA -0.989 54.853 55.803 0.065 0.000 0.755 119 Q CB 1.700 30.478 28.738 0.066 0.000 1.470 119 Q HN 0.215 nan 8.270 nan 0.000 0.434 120 N N 0.937 119.679 118.700 0.071 0.000 2.607 120 N HA 0.259 5.041 4.740 0.069 0.000 0.271 120 N C -0.241 175.308 175.510 0.065 0.000 1.142 120 N CA -0.045 53.042 53.050 0.063 0.000 0.810 120 N CB 1.295 39.816 38.487 0.058 0.000 1.306 120 N HN 0.800 nan 8.380 nan 0.000 0.536 121 I N 1.865 122.475 120.570 0.067 0.000 3.968 121 I HA 0.194 4.406 4.170 0.069 0.000 0.328 121 I C 1.119 177.269 176.117 0.056 0.000 1.290 121 I CA -0.178 61.172 61.300 0.084 0.000 1.163 121 I CB 0.156 38.231 38.000 0.125 0.000 1.024 121 I HN 0.281 nan 8.210 nan 0.000 0.413 122 I N 1.276 121.868 120.570 0.035 0.000 2.956 122 I HA 0.032 4.244 4.170 0.069 0.000 0.233 122 I C 1.435 177.565 176.117 0.023 0.000 1.054 122 I CA 0.632 61.945 61.300 0.021 0.000 1.456 122 I CB -1.020 36.986 38.000 0.010 0.000 1.297 122 I HN 0.103 nan 8.210 nan 0.000 0.448 123 D N 1.798 122.211 120.400 0.022 0.000 2.323 123 D HA 0.112 4.793 4.640 0.069 0.000 0.239 123 D C 0.899 177.217 176.300 0.029 0.000 1.129 123 D CA 0.105 54.118 54.000 0.022 0.000 0.865 123 D CB -0.168 40.642 40.800 0.018 0.000 0.913 123 D HN 0.438 nan 8.370 nan 0.000 0.517 124 G N 0.171 108.991 108.800 0.035 0.000 2.531 124 G HA2 0.088 4.089 3.960 0.069 0.000 0.253 124 G HA3 0.088 4.089 3.960 0.069 0.000 0.253 124 G C 0.862 175.783 174.900 0.036 0.000 1.439 124 G CA -0.457 44.667 45.100 0.040 0.000 1.056 124 G HN -0.049 nan 8.290 nan 0.000 0.555 125 R N -1.639 118.882 120.500 0.036 0.000 2.064 125 R HA 0.114 4.495 4.340 0.069 0.000 0.221 125 R C 0.570 176.883 176.300 0.022 0.000 1.136 125 R CA -0.024 56.093 56.100 0.028 0.000 0.980 125 R CB -1.227 29.090 30.300 0.028 0.000 0.876 125 R HN 0.624 nan 8.270 nan 0.000 0.437 126 L N 1.290 122.524 121.223 0.018 0.000 3.133 126 L HA -0.102 4.279 4.340 0.069 0.000 0.697 126 L C -2.492 174.372 176.870 -0.010 0.000 1.093 126 L CA -0.088 54.756 54.840 0.007 0.000 1.305 126 L CB -0.504 41.574 42.059 0.032 0.000 1.841 126 L HN 0.107 nan 8.230 nan 0.000 0.896 127 P HA 0.081 nan 4.420 nan 0.000 0.252 127 P C 0.664 177.937 177.300 -0.044 0.000 1.694 127 P CA 0.166 63.245 63.100 -0.034 0.000 1.163 127 P CB 0.437 32.091 31.700 -0.075 0.000 1.934 128 E N 0.769 120.968 120.200 -0.001 0.000 2.233 128 E HA -0.197 4.195 4.350 0.069 0.000 0.199 128 E C 1.650 178.276 176.600 0.044 0.000 1.004 128 E CA 1.419 57.825 56.400 0.010 0.000 0.819 128 E CB -0.138 29.579 29.700 0.029 0.000 0.738 128 E HN 0.338 nan 8.360 nan 0.000 0.478 129 V N -1.936 118.040 119.914 0.104 0.000 2.591 129 V HA -0.147 4.014 4.120 0.069 0.000 0.249 129 V C 2.093 178.248 176.094 0.103 0.000 1.053 129 V CA 1.282 63.716 62.300 0.223 0.000 1.068 129 V CB -0.366 31.733 31.823 0.461 0.000 0.689 129 V HN 0.184 nan 8.190 nan 0.000 0.462 130 M N -0.183 119.297 119.600 -0.201 0.000 2.288 130 M HA 0.216 4.737 4.480 0.069 0.000 0.266 130 M C 0.805 176.939 176.300 -0.276 0.000 1.072 130 M CA 0.964 55.907 55.300 -0.596 0.000 1.132 130 M CB 0.058 32.213 32.600 -0.742 0.000 1.386 130 M HN 0.302 nan 8.290 nan 0.000 0.432 131 L N 0.959 122.068 121.223 -0.189 0.000 2.436 131 L HA 0.204 4.585 4.340 0.069 0.000 0.265 131 L C -2.112 174.709 176.870 -0.083 0.000 1.168 131 L CA -2.014 52.675 54.840 -0.252 0.000 0.815 131 L CB -0.049 41.787 42.059 -0.372 0.000 1.109 131 L HN -0.141 nan 8.230 nan 0.000 0.462 132 P HA 0.018 nan 4.420 nan 0.000 0.271 132 P C 0.758 177.827 177.300 -0.386 0.000 1.216 132 P CA -0.245 62.607 63.100 -0.412 0.000 0.776 132 P CB 0.854 32.054 31.700 -0.833 0.000 0.881 133 V N 3.757 123.569 119.914 -0.171 0.000 2.343 133 V HA -0.196 3.965 4.120 0.069 0.000 0.247 133 V C 1.944 178.021 176.094 -0.028 0.000 1.051 133 V CA 1.759 64.025 62.300 -0.056 0.000 1.036 133 V CB -1.257 30.578 31.823 0.020 0.000 0.654 133 V HN 0.765 nan 8.190 nan 0.000 0.451 134 W N -0.963 120.388 121.300 0.084 0.000 2.387 134 W HA -0.212 4.513 4.660 0.109 0.000 0.272 134 W C 2.172 178.691 176.519 0.000 0.000 1.224 134 W CA 0.953 58.334 57.345 0.060 0.000 1.210 134 W CB -0.958 28.606 29.460 0.174 0.000 1.125 134 W HN 0.376 nan 8.180 nan 0.000 0.572 135 F N 3.366 122.869 119.950 -0.744 0.000 2.262 135 F HA -0.106 4.467 4.527 0.078 0.000 0.292 135 F C 2.978 178.577 175.800 -0.335 0.000 1.081 135 F CA 2.565 60.119 58.000 -0.744 0.000 1.355 135 F CB -0.445 37.821 39.000 -1.224 0.000 1.069 135 F HN -0.155 nan 8.300 nan 0.000 0.506 136 T N -1.188 113.415 114.554 0.083 0.000 2.788 136 T HA -0.170 4.222 4.350 0.069 0.000 0.268 136 T C 1.677 176.376 174.700 -0.001 0.000 1.044 136 T CA 1.723 63.866 62.100 0.073 0.000 1.139 136 T CB -0.578 68.304 68.868 0.023 0.000 0.867 136 T HN 0.194 nan 8.240 nan 0.000 0.454 137 N N 3.054 121.746 118.700 -0.012 0.000 2.354 137 N HA 0.023 4.804 4.740 0.069 0.000 0.179 137 N C 0.406 175.894 175.510 -0.037 0.000 1.021 137 N CA 1.030 54.072 53.050 -0.013 0.000 0.887 137 N CB -0.295 38.199 38.487 0.012 0.000 0.974 137 N HN 0.943 nan 8.380 nan 0.000 0.437 138 N N 0.260 118.918 118.700 -0.069 0.000 2.707 138 N HA 0.068 4.849 4.740 0.069 0.000 0.249 138 N C 0.378 175.777 175.510 -0.185 0.000 1.299 138 N CA -0.298 52.691 53.050 -0.102 0.000 0.769 138 N CB 0.680 39.117 38.487 -0.084 0.000 1.236 138 N HN -0.169 nan 8.380 nan 0.000 0.524 139 L N -1.505 119.604 121.223 -0.190 0.000 2.599 139 L HA 0.332 4.713 4.340 0.069 0.000 0.230 139 L C 0.274 177.035 176.870 -0.182 0.000 1.141 139 L CA 0.730 55.406 54.840 -0.273 0.000 0.877 139 L CB -1.181 40.753 42.059 -0.208 0.000 1.009 139 L HN 0.303 nan 8.230 nan 0.000 0.447 140 D N 1.236 121.562 120.400 -0.124 0.000 2.103 140 D HA -0.114 4.568 4.640 0.069 0.000 0.199 140 D C 2.342 178.595 176.300 -0.079 0.000 0.978 140 D CA 1.629 55.578 54.000 -0.084 0.000 0.829 140 D CB 0.121 40.883 40.800 -0.062 0.000 0.981 140 D HN 0.247 nan 8.370 nan 0.000 0.464 141 V N 0.373 120.234 119.914 -0.089 0.000 2.548 141 V HA -0.142 4.019 4.120 0.069 0.000 0.249 141 V C 2.325 178.401 176.094 -0.030 0.000 1.055 141 V CA 0.801 63.072 62.300 -0.048 0.000 1.065 141 V CB -0.383 31.402 31.823 -0.063 0.000 0.681 141 V HN 0.109 nan 8.190 nan 0.000 0.462 142 V N 0.567 120.366 119.914 -0.191 0.000 2.307 142 V HA -0.228 3.933 4.120 0.069 0.000 0.245 142 V C 2.619 178.631 176.094 -0.137 0.000 1.045 142 V CA 2.297 64.413 62.300 -0.306 0.000 1.024 142 V CB -0.759 30.615 31.823 -0.748 0.000 0.651 142 V HN 0.609 nan 8.190 nan 0.000 0.449 143 S N 1.153 116.775 115.700 -0.129 0.000 2.380 143 S HA -0.281 4.230 4.470 0.069 0.000 0.229 143 S C 2.193 176.786 174.600 -0.012 0.000 1.043 143 S CA 1.910 60.073 58.200 -0.061 0.000 1.038 143 S CB -0.647 62.519 63.200 -0.056 0.000 0.872 143 S HN 0.828 nan 8.310 nan 0.000 0.456 144 S N 0.748 116.451 115.700 0.005 0.000 2.399 144 S HA -0.132 4.379 4.470 0.069 0.000 0.231 144 S C 1.603 176.178 174.600 -0.041 0.000 1.022 144 S CA 0.913 59.100 58.200 -0.023 0.000 0.983 144 S CB -0.847 62.323 63.200 -0.050 0.000 0.803 144 S HN 0.596 nan 8.310 nan 0.000 0.480 145 Y N 0.667 120.902 120.300 -0.107 0.000 2.509 145 Y HA 0.185 4.778 4.550 0.072 0.000 0.293 145 Y C 1.790 177.622 175.900 -0.113 0.000 1.133 145 Y CA 0.578 58.606 58.100 -0.119 0.000 1.283 145 Y CB 0.278 38.636 38.460 -0.170 0.000 1.001 145 Y HN 0.223 nan 8.280 nan 0.000 0.555 146 V N -0.592 119.350 119.914 0.048 0.000 3.346 146 V HA -0.002 4.160 4.120 0.069 0.000 0.309 146 V C 1.181 177.277 176.094 0.003 0.000 1.457 146 V CA 0.074 62.383 62.300 0.014 0.000 1.069 146 V CB 0.445 32.279 31.823 0.017 0.000 0.944 146 V HN 0.215 nan 8.190 nan 0.000 0.449 147 Q N 0.671 120.466 119.800 -0.008 0.000 2.226 147 Q HA -0.095 4.286 4.340 0.069 0.000 0.204 147 Q C 0.678 176.676 176.000 -0.004 0.000 0.975 147 Q CA 1.141 56.939 55.803 -0.009 0.000 0.866 147 Q CB -0.039 28.685 28.738 -0.023 0.000 0.915 147 Q HN 0.579 nan 8.270 nan 0.000 0.440 148 D N 0.902 121.295 120.400 -0.011 0.000 2.427 148 D HA 0.195 4.876 4.640 0.069 0.000 0.226 148 D C -0.880 175.415 176.300 -0.009 0.000 1.076 148 D CA -0.070 53.924 54.000 -0.010 0.000 0.849 148 D CB 0.470 41.256 40.800 -0.023 0.000 1.052 148 D HN -0.086 nan 8.370 nan 0.000 0.515 149 Q N 1.395 121.201 119.800 0.009 0.000 2.387 149 Q HA 0.711 5.093 4.340 0.069 0.000 0.273 149 Q C -1.106 174.880 176.000 -0.023 0.000 1.089 149 Q CA -1.163 54.635 55.803 -0.008 0.000 0.824 149 Q CB 2.460 31.210 28.738 0.020 0.000 1.367 149 Q HN 0.322 nan 8.270 nan 0.000 0.443 150 S N -0.315 115.310 115.700 -0.125 0.000 2.537 150 S HA 0.102 4.614 4.470 0.069 0.000 0.271 150 S C -0.031 174.359 174.600 -0.349 0.000 1.148 150 S CA -0.549 57.539 58.200 -0.186 0.000 0.868 150 S CB 1.803 64.969 63.200 -0.057 0.000 1.115 150 S HN 0.820 nan 8.310 nan 0.000 0.461 151 E N 1.363 121.270 120.200 -0.489 0.000 2.110 151 E HA -0.144 4.247 4.350 0.069 0.000 0.193 151 E C 0.033 176.509 176.600 -0.208 0.000 0.988 151 E CA 0.994 57.149 56.400 -0.409 0.000 0.804 151 E CB 0.027 29.538 29.700 -0.316 0.000 0.745 151 E HN 0.620 nan 8.360 nan 0.000 0.458 152 D N 0.024 120.353 120.400 -0.118 0.000 2.416 152 D HA -0.041 4.641 4.640 0.069 0.000 0.240 152 D C -0.217 176.130 176.300 0.077 0.000 1.250 152 D CA -0.146 53.826 54.000 -0.046 0.000 0.967 152 D CB 0.026 40.832 40.800 0.010 0.000 1.059 152 D HN 0.213 nan 8.370 nan 0.000 0.512 153 c N 2.909 121.505 118.600 -0.006 0.000 3.596 153 c HA 0.362 4.973 4.570 0.069 0.000 0.268 153 c C 0.495 174.581 174.090 -0.007 0.000 1.912 153 c CA -0.771 55.632 56.329 0.123 0.000 1.721 153 c CB -1.219 41.290 42.510 -0.002 0.000 3.328 153 c HN 0.468 nan 8.230 nan 0.000 0.500 154 L N 2.576 123.512 121.223 -0.479 0.000 2.387 154 L HA 0.417 4.798 4.340 0.069 0.000 0.267 154 L C -1.027 175.207 176.870 -1.059 0.000 1.197 154 L CA 0.517 54.932 54.840 -0.708 0.000 1.070 154 L CB -0.583 40.945 42.059 -0.886 0.000 1.349 154 L HN 0.412 nan 8.230 nan 0.000 0.422 155 Y N 2.047 122.329 120.300 -0.030 0.000 2.512 155 Y HA 0.601 5.191 4.550 0.067 0.000 0.348 155 Y C 0.165 176.210 175.900 0.242 0.000 0.990 155 Y CA -1.020 57.120 58.100 0.067 0.000 1.033 155 Y CB 2.111 40.577 38.460 0.011 0.000 1.259 155 Y HN 0.205 nan 8.280 nan 0.000 0.461 156 L N 0.288 121.692 121.223 0.303 0.000 2.279 156 L HA 0.791 5.172 4.340 0.069 0.000 0.262 156 L C -1.418 175.537 176.870 0.142 0.000 1.019 156 L CA -1.016 53.919 54.840 0.158 0.000 0.823 156 L CB 2.581 44.611 42.059 -0.048 0.000 1.358 156 L HN 0.576 nan 8.230 nan 0.000 0.432 157 N N 2.324 121.122 118.700 0.163 0.000 2.296 157 N HA 0.573 5.354 4.740 0.069 0.000 0.294 157 N C -1.042 174.502 175.510 0.057 0.000 1.033 157 N CA -0.414 52.714 53.050 0.129 0.000 0.839 157 N CB 2.846 41.496 38.487 0.272 0.000 1.395 157 N HN 0.556 nan 8.380 nan 0.000 0.479 158 I N 1.641 122.183 120.570 -0.048 0.000 2.412 158 I HA 0.372 4.584 4.170 0.069 0.000 0.296 158 I C -0.904 175.140 176.117 -0.123 0.000 0.987 158 I CA -0.660 60.656 61.300 0.026 0.000 1.180 158 I CB 0.884 38.902 38.000 0.030 0.000 1.340 158 I HN 0.333 nan 8.210 nan 0.000 0.455 159 Y N 4.296 124.720 120.300 0.207 0.000 2.338 159 Y HA 0.481 5.072 4.550 0.069 0.000 0.328 159 Y C -0.130 175.886 175.900 0.193 0.000 0.965 159 Y CA -0.850 57.359 58.100 0.181 0.000 1.208 159 Y CB 1.947 40.494 38.460 0.144 0.000 1.132 159 Y HN 0.194 nan 8.280 nan 0.000 0.469 160 V N 5.921 126.023 119.914 0.314 0.000 2.448 160 V HA 0.458 4.620 4.120 0.069 0.000 0.295 160 V C -2.234 173.988 176.094 0.213 0.000 1.025 160 V CA -2.418 60.056 62.300 0.289 0.000 0.859 160 V CB 1.692 33.755 31.823 0.400 0.000 0.988 160 V HN 0.518 nan 8.190 nan 0.000 0.431 161 P HA 0.265 nan 4.420 nan 0.000 0.280 161 P C -0.330 177.033 177.300 0.105 0.000 1.278 161 P CA -0.095 63.080 63.100 0.123 0.000 0.787 161 P CB 0.417 32.177 31.700 0.099 0.000 1.163 162 T N 0.148 114.746 114.554 0.074 0.000 2.949 162 T HA 0.331 4.722 4.350 0.069 0.000 0.300 162 T C -0.491 174.234 174.700 0.042 0.000 0.988 162 T CA -0.393 61.742 62.100 0.059 0.000 0.993 162 T CB 0.792 69.688 68.868 0.047 0.000 0.984 162 T HN 0.213 nan 8.240 nan 0.000 0.442 163 E N 1.698 121.923 120.200 0.041 0.000 2.330 163 E HA 0.593 4.985 4.350 0.069 0.000 0.256 163 E C -0.237 176.376 176.600 0.021 0.000 1.146 163 E CA -0.598 55.818 56.400 0.028 0.000 0.945 163 E CB 0.758 30.476 29.700 0.030 0.000 1.182 163 E HN 0.491 nan 8.360 nan 0.000 0.480 191 G N 1.902 110.713 108.800 0.019 0.000 2.841 191 G HA2 0.348 4.349 3.960 0.069 0.000 0.684 191 G HA3 0.348 4.349 3.960 0.069 0.000 0.684 191 G C -2.749 172.164 174.900 0.023 0.000 1.273 191 G CA -0.728 44.382 45.100 0.015 0.000 0.811 191 G HN 0.612 nan 8.290 nan 0.000 0.631 192 P HA 0.271 nan 4.420 nan 0.000 0.263 192 P C 0.221 177.539 177.300 0.030 0.000 1.195 192 P CA 0.252 63.367 63.100 0.026 0.000 0.762 192 P CB 0.457 32.163 31.700 0.010 0.000 0.799 193 K N 4.982 125.410 120.400 0.047 0.000 2.126 193 K HA 0.344 4.706 4.320 0.069 0.000 0.257 193 K C -2.235 174.393 176.600 0.047 0.000 1.007 193 K CA -1.775 54.541 56.287 0.048 0.000 0.928 193 K CB -0.265 32.276 32.500 0.069 0.000 1.013 193 K HN 0.299 nan 8.250 nan 0.000 0.473 194 P HA 0.026 nan 4.420 nan 0.000 0.272 194 P C -0.973 176.364 177.300 0.061 0.000 1.223 194 P CA -0.321 62.801 63.100 0.036 0.000 0.784 194 P CB 0.573 32.283 31.700 0.016 0.000 0.923 195 V N 3.566 123.522 119.914 0.069 0.000 2.409 195 V HA 0.375 4.536 4.120 0.069 0.000 0.291 195 V C 0.171 176.330 176.094 0.108 0.000 1.020 195 V CA -0.318 62.042 62.300 0.100 0.000 0.848 195 V CB 1.182 33.070 31.823 0.108 0.000 0.990 195 V HN 0.448 nan 8.190 nan 0.000 0.430 196 M N 5.119 124.799 119.600 0.133 0.000 2.066 196 M HA 0.476 4.997 4.480 0.069 0.000 0.340 196 M C -0.980 175.569 176.300 0.414 0.000 1.053 196 M CA -0.556 54.842 55.300 0.163 0.000 0.983 196 M CB 1.625 34.188 32.600 -0.062 0.000 1.520 196 M HN 0.360 nan 8.290 nan 0.000 0.428 197 V N 3.871 124.025 119.914 0.400 0.000 2.370 197 V HA 0.238 4.399 4.120 0.069 0.000 0.279 197 V C -0.858 175.391 176.094 0.258 0.000 1.029 197 V CA -0.666 61.816 62.300 0.303 0.000 0.870 197 V CB 0.823 32.717 31.823 0.118 0.000 0.984 197 V HN 0.614 nan 8.190 nan 0.000 0.451 198 Y N 5.792 126.064 120.300 -0.046 0.000 2.341 198 Y HA 0.608 5.197 4.550 0.065 0.000 0.340 198 Y C -0.095 175.624 175.900 -0.300 0.000 0.997 198 Y CA -0.641 57.132 58.100 -0.545 0.000 1.149 198 Y CB 1.112 39.168 38.460 -0.674 0.000 1.171 198 Y HN 0.572 nan 8.280 nan 0.000 0.494 199 I N 7.493 127.607 120.570 -0.759 0.000 2.307 199 I HA 0.142 4.353 4.170 0.069 0.000 0.289 199 I C 0.360 176.088 176.117 -0.649 0.000 1.021 199 I CA -0.432 60.585 61.300 -0.472 0.000 1.224 199 I CB 0.261 38.022 38.000 -0.398 0.000 1.376 199 I HN 0.642 nan 8.210 nan 0.000 0.470 200 H N 5.116 124.031 119.070 -0.259 0.000 2.509 200 H HA 0.793 5.388 4.556 0.064 0.000 0.360 200 H C -0.131 175.204 175.328 0.011 0.000 1.398 200 H CA -0.605 55.357 56.048 -0.142 0.000 1.429 200 H CB 1.512 31.341 29.762 0.112 0.000 1.611 200 H HN 0.665 nan 8.280 nan 0.000 0.606 201 G N -1.371 107.396 108.800 -0.054 0.000 2.050 201 G HA2 0.295 4.296 3.960 0.069 0.000 0.274 201 G HA3 0.295 4.296 3.960 0.069 0.000 0.274 201 G C 0.136 174.924 174.900 -0.187 0.000 1.733 201 G CA -0.094 44.883 45.100 -0.205 0.000 0.905 201 G HN 0.861 nan 8.290 nan 0.000 0.728 202 G N 0.504 109.163 108.800 -0.234 0.000 2.564 202 G HA2 0.387 4.388 3.960 0.069 0.000 0.212 202 G HA3 0.387 4.388 3.960 0.069 0.000 0.212 202 G C 1.377 176.016 174.900 -0.436 0.000 1.199 202 G CA 1.633 46.515 45.100 -0.363 0.000 0.832 202 G HN 1.887 nan 8.290 nan 0.000 0.565 203 S N -2.651 112.811 115.700 -0.398 0.000 2.960 203 S HA 0.304 4.815 4.470 0.069 0.000 0.256 203 S C 0.571 175.047 174.600 -0.207 0.000 1.017 203 S CA 0.189 58.163 58.200 -0.378 0.000 1.144 203 S CB 0.025 63.076 63.200 -0.247 0.000 1.109 203 S HN 0.591 nan 8.310 nan 0.000 0.638 204 Y N -0.470 119.753 120.300 -0.129 0.000 4.884 204 Y HA -0.251 4.341 4.550 0.071 0.000 0.276 204 Y C 1.511 177.442 175.900 0.052 0.000 0.915 204 Y CA 0.955 59.008 58.100 -0.078 0.000 1.768 204 Y CB -1.653 36.605 38.460 -0.336 0.000 1.172 204 Y HN 0.356 nan 8.280 nan 0.000 0.470 205 M N 0.273 119.948 119.600 0.125 0.000 2.501 205 M HA 0.137 4.658 4.480 0.069 0.000 0.261 205 M C 0.873 177.234 176.300 0.103 0.000 1.129 205 M CA 1.361 56.736 55.300 0.126 0.000 1.126 205 M CB -0.209 32.436 32.600 0.075 0.000 1.359 205 M HN 0.403 nan 8.290 nan 0.000 0.471 206 E N -0.575 119.672 120.200 0.077 0.000 2.454 206 E HA 0.639 5.030 4.350 0.069 0.000 0.279 206 E C -0.190 176.506 176.600 0.160 0.000 1.029 206 E CA -0.432 56.026 56.400 0.097 0.000 0.831 206 E CB 1.271 31.023 29.700 0.086 0.000 1.405 206 E HN 0.126 nan 8.360 nan 0.000 0.463 207 G N -0.233 108.667 108.800 0.166 0.000 2.462 207 G HA2 0.308 4.309 3.960 0.069 0.000 0.685 207 G HA3 0.308 4.309 3.960 0.069 0.000 0.685 207 G C -1.089 173.658 174.900 -0.255 0.000 1.295 207 G CA -0.242 44.915 45.100 0.095 0.000 0.941 207 G HN 1.004 nan 8.290 nan 0.000 0.554 208 T N -1.321 112.872 114.554 -0.601 0.000 2.840 208 T HA 0.614 5.005 4.350 0.069 0.000 0.317 208 T C 1.303 175.741 174.700 -0.436 0.000 1.401 208 T CA 0.303 62.069 62.100 -0.557 0.000 1.028 208 T CB 1.458 70.182 68.868 -0.239 0.000 1.317 208 T HN 1.844 nan 8.240 nan 0.000 0.495 209 G N 0.869 109.589 108.800 -0.133 0.000 2.443 209 G HA2 -0.164 3.837 3.960 0.069 0.000 0.219 209 G HA3 -0.164 3.837 3.960 0.069 0.000 0.219 209 G C 1.148 176.168 174.900 0.200 0.000 1.131 209 G CA 0.361 45.586 45.100 0.209 0.000 0.775 209 G HN 0.671 nan 8.290 nan 0.000 0.547 210 N N 0.736 119.375 118.700 -0.102 0.000 2.348 210 N HA -0.073 4.708 4.740 0.069 0.000 0.185 210 N C 1.911 177.331 175.510 -0.149 0.000 1.019 210 N CA 0.484 53.286 53.050 -0.413 0.000 0.880 210 N CB -0.354 37.413 38.487 -1.201 0.000 0.965 210 N HN 0.322 nan 8.380 nan 0.000 0.437 211 L N -0.561 120.504 121.223 -0.263 0.000 2.456 211 L HA -0.057 4.324 4.340 0.069 0.000 0.224 211 L C -0.208 176.234 176.870 -0.712 0.000 1.148 211 L CA 0.615 55.010 54.840 -0.742 0.000 0.825 211 L CB -0.211 41.316 42.059 -0.887 0.000 0.937 211 L HN 0.134 nan 8.230 nan 0.000 0.450 212 Y N -0.784 119.431 120.300 -0.141 0.000 2.478 212 Y HA 0.210 4.798 4.550 0.063 0.000 0.329 212 Y C 0.099 175.910 175.900 -0.149 0.000 0.967 212 Y CA -1.232 56.747 58.100 -0.203 0.000 1.255 212 Y CB 0.493 38.715 38.460 -0.396 0.000 1.103 212 Y HN -0.117 nan 8.280 nan 0.000 0.497 213 D N 2.874 123.242 120.400 -0.052 0.000 2.344 213 D HA 0.047 4.728 4.640 0.069 0.000 0.253 213 D C 0.992 177.050 176.300 -0.405 0.000 1.255 213 D CA 0.320 54.236 54.000 -0.139 0.000 0.894 213 D CB 1.433 42.212 40.800 -0.034 0.000 1.067 213 D HN 0.964 nan 8.370 nan 0.000 0.492 214 G N 2.655 110.870 108.800 -0.976 0.000 2.920 214 G HA2 -0.113 3.888 3.960 0.069 0.000 0.208 214 G HA3 -0.113 3.888 3.960 0.069 0.000 0.208 214 G C 1.519 176.079 174.900 -0.566 0.000 1.159 214 G CA -0.046 44.570 45.100 -0.806 0.000 0.784 214 G HN 0.427 nan 8.290 nan 0.000 0.535 215 S N 0.398 115.797 115.700 -0.501 0.000 2.365 215 S HA -0.177 4.335 4.470 0.069 0.000 0.221 215 S C 2.523 177.102 174.600 -0.035 0.000 1.037 215 S CA 1.479 59.633 58.200 -0.076 0.000 1.060 215 S CB -0.440 62.778 63.200 0.030 0.000 0.974 215 S HN 0.189 nan 8.310 nan 0.000 0.427 216 V N 2.113 121.982 119.914 -0.075 0.000 2.392 216 V HA -0.153 4.008 4.120 0.069 0.000 0.249 216 V C 2.198 178.286 176.094 -0.010 0.000 1.059 216 V CA 1.452 63.724 62.300 -0.047 0.000 1.051 216 V CB -0.666 31.088 31.823 -0.115 0.000 0.658 216 V HN 0.411 nan 8.190 nan 0.000 0.455 217 L N -0.218 120.974 121.223 -0.050 0.000 2.056 217 L HA -0.160 4.222 4.340 0.069 0.000 0.207 217 L C 2.578 179.490 176.870 0.070 0.000 1.078 217 L CA 1.871 56.708 54.840 -0.005 0.000 0.749 217 L CB -0.541 41.505 42.059 -0.021 0.000 0.901 217 L HN 0.397 nan 8.230 nan 0.000 0.433 218 A N -1.360 121.499 122.820 0.065 0.000 1.898 218 A HA -0.216 4.146 4.320 0.069 0.000 0.216 218 A C 2.481 180.127 177.584 0.104 0.000 1.181 218 A CA 1.869 53.971 52.037 0.109 0.000 0.620 218 A CB -0.645 18.452 19.000 0.162 0.000 0.819 218 A HN 0.468 nan 8.150 nan 0.000 0.442 219 S N -2.175 113.582 115.700 0.095 0.000 2.387 219 S HA -0.144 4.367 4.470 0.069 0.000 0.226 219 S C 1.884 176.529 174.600 0.075 0.000 1.026 219 S CA 1.360 59.607 58.200 0.079 0.000 0.972 219 S CB -0.494 62.746 63.200 0.068 0.000 0.814 219 S HN 0.644 nan 8.310 nan 0.000 0.477 220 Y N 1.190 121.479 120.300 -0.019 0.000 2.263 220 Y HA 0.190 4.782 4.550 0.070 0.000 0.292 220 Y C 2.076 177.963 175.900 -0.022 0.000 1.130 220 Y CA 1.519 59.600 58.100 -0.031 0.000 1.179 220 Y CB -0.454 37.973 38.460 -0.056 0.000 0.998 220 Y HN 0.334 nan 8.280 nan 0.000 0.532 221 G N -1.245 107.644 108.800 0.148 0.000 3.044 221 G HA2 -0.011 3.990 3.960 0.069 0.000 0.223 221 G HA3 -0.011 3.990 3.960 0.069 0.000 0.223 221 G C -0.137 174.780 174.900 0.027 0.000 1.123 221 G CA 0.147 45.300 45.100 0.090 0.000 0.765 221 G HN 0.422 nan 8.290 nan 0.000 0.546 222 N N -0.935 117.784 118.700 0.030 0.000 2.727 222 N HA -0.160 4.621 4.740 0.069 0.000 0.251 222 N C -0.366 175.176 175.510 0.055 0.000 1.040 222 N CA 0.845 53.916 53.050 0.034 0.000 0.712 222 N CB -1.298 37.192 38.487 0.004 0.000 0.912 222 N HN 0.589 nan 8.380 nan 0.000 0.545 223 V N -2.962 116.998 119.914 0.077 0.000 3.040 223 V HA 0.680 4.841 4.120 0.069 0.000 0.312 223 V C 0.526 176.693 176.094 0.121 0.000 1.115 223 V CA -1.202 61.149 62.300 0.084 0.000 0.998 223 V CB 2.241 34.104 31.823 0.067 0.000 1.042 223 V HN 0.053 nan 8.190 nan 0.000 0.433 224 I N 2.513 123.163 120.570 0.133 0.000 2.441 224 I HA 0.382 4.594 4.170 0.069 0.000 0.287 224 I C -0.317 175.918 176.117 0.196 0.000 1.049 224 I CA -0.279 61.127 61.300 0.176 0.000 1.381 224 I CB 1.449 39.546 38.000 0.162 0.000 1.409 224 I HN 0.427 nan 8.210 nan 0.000 0.523 225 V N 7.691 127.765 119.914 0.266 0.000 2.448 225 V HA 0.467 4.628 4.120 0.069 0.000 0.295 225 V C 0.144 176.480 176.094 0.403 0.000 1.025 225 V CA -0.508 61.979 62.300 0.311 0.000 0.859 225 V CB 2.050 34.023 31.823 0.249 0.000 0.988 225 V HN 0.452 nan 8.190 nan 0.000 0.431 226 I N 4.260 125.035 120.570 0.342 0.000 2.441 226 I HA 0.566 4.777 4.170 0.069 0.000 0.295 226 I C 0.174 176.478 176.117 0.311 0.000 0.994 226 I CA -0.398 61.084 61.300 0.303 0.000 1.144 226 I CB 2.358 40.467 38.000 0.182 0.000 1.314 226 I HN 0.679 nan 8.210 nan 0.000 0.445 227 T N 3.212 117.964 114.554 0.330 0.000 2.807 227 T HA 0.712 5.103 4.350 0.069 0.000 0.279 227 T C -0.414 174.424 174.700 0.230 0.000 0.993 227 T CA -0.718 61.559 62.100 0.295 0.000 0.970 227 T CB 1.659 70.734 68.868 0.345 0.000 0.950 227 T HN 0.439 nan 8.240 nan 0.000 0.441 228 V N 0.701 120.741 119.914 0.210 0.000 2.815 228 V HA 0.703 4.864 4.120 0.069 0.000 0.314 228 V C -0.705 175.564 176.094 0.292 0.000 1.064 228 V CA -1.118 61.289 62.300 0.178 0.000 0.952 228 V CB 1.896 33.746 31.823 0.047 0.000 1.020 228 V HN 0.933 nan 8.190 nan 0.000 0.439 229 N N 2.532 121.413 118.700 0.302 0.000 2.392 229 N HA 0.558 5.340 4.740 0.069 0.000 0.283 229 N C -1.458 174.246 175.510 0.324 0.000 1.003 229 N CA -0.135 53.060 53.050 0.242 0.000 0.892 229 N CB 2.086 40.678 38.487 0.176 0.000 1.193 229 N HN 0.944 nan 8.380 nan 0.000 0.487 230 Y N -0.925 119.518 120.300 0.238 0.000 2.602 230 Y HA 0.554 5.143 4.550 0.065 0.000 0.342 230 Y C 0.215 176.180 175.900 0.108 0.000 1.029 230 Y CA -1.377 56.824 58.100 0.168 0.000 1.080 230 Y CB 0.812 39.349 38.460 0.129 0.000 1.284 230 Y HN 0.151 nan 8.280 nan 0.000 0.485 231 R N 1.723 122.330 120.500 0.179 0.000 2.640 231 R HA 0.340 4.721 4.340 0.069 0.000 0.270 231 R C -0.956 175.413 176.300 0.115 0.000 1.024 231 R CA 0.113 56.240 56.100 0.045 0.000 1.085 231 R CB 0.213 30.497 30.300 -0.027 0.000 0.963 231 R HN 0.677 nan 8.270 nan 0.000 0.426 232 L N 1.281 122.563 121.223 0.099 0.000 2.303 232 L HA 0.448 4.829 4.340 0.069 0.000 0.266 232 L C 1.294 178.335 176.870 0.284 0.000 1.011 232 L CA -0.398 54.593 54.840 0.253 0.000 0.818 232 L CB 1.746 43.883 42.059 0.129 0.000 1.326 232 L HN 0.913 nan 8.230 nan 0.000 0.435 233 G N 0.596 109.648 108.800 0.421 0.000 2.672 233 G HA2 -0.317 3.684 3.960 0.069 0.000 0.324 233 G HA3 -0.317 3.684 3.960 0.069 0.000 0.324 233 G C 0.925 175.953 174.900 0.213 0.000 1.286 233 G CA 0.485 45.763 45.100 0.296 0.000 1.004 233 G HN 0.430 nan 8.290 nan 0.000 0.548 234 V N 0.919 120.767 119.914 -0.110 0.000 2.255 234 V HA -0.143 4.018 4.120 0.069 0.000 0.247 234 V C 2.983 179.165 176.094 0.147 0.000 1.051 234 V CA 2.606 64.752 62.300 -0.255 0.000 1.018 234 V CB -0.734 30.876 31.823 -0.355 0.000 0.641 234 V HN 0.490 nan 8.190 nan 0.000 0.445 235 L N 0.288 121.580 121.223 0.114 0.000 2.191 235 L HA -0.062 4.319 4.340 0.069 0.000 0.212 235 L C 2.324 179.242 176.870 0.081 0.000 1.103 235 L CA 1.492 56.371 54.840 0.065 0.000 0.769 235 L CB -0.726 41.271 42.059 -0.103 0.000 0.908 235 L HN 0.496 nan 8.230 nan 0.000 0.438 236 G N -1.953 106.889 108.800 0.069 0.000 2.796 236 G HA2 0.007 4.008 3.960 0.069 0.000 0.210 236 G HA3 0.007 4.008 3.960 0.069 0.000 0.210 236 G C 0.903 175.493 174.900 -0.516 0.000 1.146 236 G CA -0.006 44.963 45.100 -0.218 0.000 0.779 236 G HN 0.329 nan 8.290 nan 0.000 0.535 237 F N -0.843 119.296 119.950 0.314 0.000 2.915 237 F HA 0.396 4.969 4.527 0.076 0.000 0.347 237 F C 0.389 176.352 175.800 0.273 0.000 1.104 237 F CA -0.911 57.216 58.000 0.211 0.000 1.126 237 F CB 0.516 39.583 39.000 0.111 0.000 1.145 237 F HN -0.089 nan 8.300 nan 0.000 0.541 238 L N 1.756 123.256 121.223 0.461 0.000 2.615 238 L HA 0.220 4.601 4.340 0.069 0.000 0.284 238 L C 0.298 177.312 176.870 0.239 0.000 1.237 238 L CA 0.865 55.907 54.840 0.336 0.000 0.905 238 L CB 0.466 42.522 42.059 -0.005 0.000 1.149 238 L HN 0.102 nan 8.230 nan 0.000 0.499 239 S N 1.810 117.613 115.700 0.172 0.000 2.536 239 S HA 0.539 5.051 4.470 0.069 0.000 0.271 239 S C 0.340 174.972 174.600 0.052 0.000 1.134 239 S CA -0.036 58.212 58.200 0.080 0.000 0.897 239 S CB 1.546 64.772 63.200 0.044 0.000 1.094 239 S HN 0.811 nan 8.310 nan 0.000 0.473 240 T N 0.481 115.051 114.554 0.026 0.000 3.069 240 T HA 0.411 4.803 4.350 0.069 0.000 0.252 240 T C 1.460 176.168 174.700 0.013 0.000 1.053 240 T CA 0.494 62.603 62.100 0.016 0.000 0.964 240 T CB -0.004 68.867 68.868 0.005 0.000 1.005 240 T HN 1.855 nan 8.240 nan 0.000 0.532 241 G N 1.260 110.068 108.800 0.014 0.000 2.166 241 G HA2 -0.214 3.787 3.960 0.069 0.000 0.260 241 G HA3 -0.214 3.787 3.960 0.069 0.000 0.260 241 G C -0.340 174.568 174.900 0.013 0.000 0.986 241 G CA 0.467 45.574 45.100 0.011 0.000 0.683 241 G HN 0.591 nan 8.290 nan 0.000 0.527 242 D N -1.551 118.859 120.400 0.016 0.000 2.723 242 D HA 0.485 5.166 4.640 0.069 0.000 0.247 242 D C 1.416 177.733 176.300 0.029 0.000 1.134 242 D CA -0.575 53.437 54.000 0.020 0.000 1.099 242 D CB 0.154 40.965 40.800 0.018 0.000 1.287 242 D HN 0.038 nan 8.370 nan 0.000 0.634 243 Q N -0.269 119.551 119.800 0.034 0.000 2.392 243 Q HA 0.212 4.594 4.340 0.069 0.000 0.203 243 Q C 1.410 177.444 176.000 0.057 0.000 0.917 243 Q CA 0.091 55.922 55.803 0.047 0.000 0.939 243 Q CB 0.613 29.378 28.738 0.044 0.000 1.063 243 Q HN 0.412 nan 8.270 nan 0.000 0.516 244 A N 1.936 124.782 122.820 0.043 0.000 1.849 244 A HA 0.009 4.370 4.320 0.069 0.000 0.217 244 A C 1.181 178.801 177.584 0.060 0.000 1.202 244 A CA 1.691 53.752 52.037 0.040 0.000 0.629 244 A CB -0.240 18.771 19.000 0.019 0.000 0.834 244 A HN 0.286 nan 8.150 nan 0.000 0.447 245 A N -1.477 121.376 122.820 0.056 0.000 2.375 245 A HA 0.609 4.970 4.320 0.069 0.000 0.291 245 A C 0.343 177.993 177.584 0.109 0.000 1.160 245 A CA -0.510 51.600 52.037 0.121 0.000 0.747 245 A CB 1.016 20.023 19.000 0.011 0.000 1.170 245 A HN 0.326 nan 8.150 nan 0.000 0.458 246 K N 1.665 122.140 120.400 0.124 0.000 2.361 246 K HA 0.333 4.694 4.320 0.069 0.000 0.196 246 K C 1.036 177.534 176.600 -0.170 0.000 1.039 246 K CA 0.740 57.021 56.287 -0.010 0.000 1.001 246 K CB 0.186 32.690 32.500 0.007 0.000 0.795 246 K HN 1.429 nan 8.250 nan 0.000 0.495 247 G N 1.673 110.223 108.800 -0.418 0.000 2.728 247 G HA2 -0.256 3.745 3.960 0.069 0.000 0.294 247 G HA3 -0.256 3.745 3.960 0.069 0.000 0.294 247 G C -0.337 174.058 174.900 -0.841 0.000 1.342 247 G CA -0.370 44.384 45.100 -0.576 0.000 0.866 247 G HN 0.213 nan 8.290 nan 0.000 0.534 248 N N -2.005 116.414 118.700 -0.469 0.000 2.800 248 N HA -0.217 4.564 4.740 0.069 0.000 0.250 248 N C 1.023 176.264 175.510 -0.447 0.000 1.078 248 N CA 1.904 54.763 53.050 -0.318 0.000 0.804 248 N CB -1.692 36.652 38.487 -0.238 0.000 1.135 248 N HN 0.741 nan 8.380 nan 0.000 0.565 249 Y N -0.182 119.976 120.300 -0.237 0.000 2.165 249 Y HA -0.127 4.463 4.550 0.067 0.000 0.286 249 Y C 2.586 178.326 175.900 -0.267 0.000 1.155 249 Y CA 1.456 59.434 58.100 -0.204 0.000 1.164 249 Y CB -0.453 37.928 38.460 -0.133 0.000 0.978 249 Y HN 0.258 nan 8.280 nan 0.000 0.513 250 G N -0.096 108.444 108.800 -0.434 0.000 2.443 250 G HA2 -0.162 3.839 3.960 0.069 0.000 0.219 250 G HA3 -0.162 3.839 3.960 0.069 0.000 0.219 250 G C 1.580 176.387 174.900 -0.156 0.000 1.131 250 G CA 0.739 45.678 45.100 -0.268 0.000 0.775 250 G HN 0.340 nan 8.290 nan 0.000 0.547 251 L N -0.258 120.868 121.223 -0.161 0.000 2.072 251 L HA 0.107 4.488 4.340 0.069 0.000 0.205 251 L C 2.819 179.616 176.870 -0.121 0.000 1.079 251 L CA 0.395 55.160 54.840 -0.124 0.000 0.752 251 L CB -0.313 41.693 42.059 -0.088 0.000 0.906 251 L HN 0.170 nan 8.230 nan 0.000 0.436 252 L N -0.436 120.711 121.223 -0.126 0.000 2.131 252 L HA -0.228 4.153 4.340 0.069 0.000 0.210 252 L C 2.152 179.043 176.870 0.035 0.000 1.092 252 L CA 0.902 55.694 54.840 -0.080 0.000 0.759 252 L CB -0.617 41.405 42.059 -0.062 0.000 0.903 252 L HN 0.284 nan 8.230 nan 0.000 0.435 253 D N 0.266 120.702 120.400 0.061 0.000 2.117 253 D HA -0.162 4.519 4.640 0.069 0.000 0.197 253 D C 2.380 178.790 176.300 0.182 0.000 0.987 253 D CA 1.224 55.337 54.000 0.188 0.000 0.829 253 D CB -0.162 40.777 40.800 0.232 0.000 0.961 253 D HN 0.265 nan 8.370 nan 0.000 0.460 254 L N 0.435 121.670 121.223 0.021 0.000 2.093 254 L HA -0.141 4.240 4.340 0.069 0.000 0.208 254 L C 2.325 179.191 176.870 -0.005 0.000 1.085 254 L CA 0.408 55.208 54.840 -0.067 0.000 0.755 254 L CB -0.251 41.692 42.059 -0.193 0.000 0.904 254 L HN 0.045 nan 8.230 nan 0.000 0.435 255 I N -0.076 120.523 120.570 0.048 0.000 2.127 255 I HA -0.313 3.898 4.170 0.069 0.000 0.241 255 I C 2.639 178.854 176.117 0.165 0.000 1.075 255 I CA 1.548 62.926 61.300 0.130 0.000 1.334 255 I CB -1.243 36.843 38.000 0.144 0.000 1.040 255 I HN 0.340 nan 8.210 nan 0.000 0.405 256 Q N 1.465 121.377 119.800 0.186 0.000 2.077 256 Q HA -0.177 4.204 4.340 0.069 0.000 0.206 256 Q C 2.232 178.398 176.000 0.276 0.000 0.989 256 Q CA 2.656 58.615 55.803 0.260 0.000 0.853 256 Q CB -0.566 28.346 28.738 0.289 0.000 0.907 256 Q HN 0.464 nan 8.270 nan 0.000 0.418 257 A N 0.066 122.921 122.820 0.057 0.000 1.917 257 A HA -0.172 4.189 4.320 0.069 0.000 0.219 257 A C 2.186 179.764 177.584 -0.010 0.000 1.182 257 A CA 1.710 53.502 52.037 -0.408 0.000 0.633 257 A CB -0.833 17.589 19.000 -0.963 0.000 0.819 257 A HN 0.473 nan 8.150 nan 0.000 0.448 258 L N -1.469 119.792 121.223 0.063 0.000 2.217 258 L HA -0.098 4.283 4.340 0.069 0.000 0.211 258 L C 2.860 179.852 176.870 0.203 0.000 1.107 258 L CA 0.579 55.506 54.840 0.145 0.000 0.783 258 L CB -0.393 41.772 42.059 0.177 0.000 0.919 258 L HN 0.311 nan 8.230 nan 0.000 0.442 259 R N -0.567 120.068 120.500 0.225 0.000 2.070 259 R HA -0.223 4.158 4.340 0.069 0.000 0.232 259 R C 2.024 178.487 176.300 0.272 0.000 1.138 259 R CA 1.999 58.236 56.100 0.229 0.000 0.936 259 R CB -0.896 29.549 30.300 0.241 0.000 0.839 259 R HN 0.408 nan 8.270 nan 0.000 0.429 260 W N 1.726 123.126 121.300 0.167 0.000 2.318 260 W HA -0.253 4.449 4.660 0.070 0.000 0.313 260 W C 2.145 178.761 176.519 0.163 0.000 1.221 260 W CA 2.362 59.835 57.345 0.213 0.000 1.266 260 W CB -0.402 29.194 29.460 0.226 0.000 1.150 260 W HN 0.051 nan 8.180 nan 0.000 0.496 261 T N -0.758 114.102 114.554 0.511 0.000 2.708 261 T HA -0.278 4.113 4.350 0.069 0.000 0.266 261 T C 1.934 176.692 174.700 0.097 0.000 1.037 261 T CA 1.887 64.187 62.100 0.332 0.000 1.146 261 T CB -0.958 68.062 68.868 0.253 0.000 0.865 261 T HN 0.204 nan 8.240 nan 0.000 0.435 262 S N 1.200 116.959 115.700 0.098 0.000 2.383 262 S HA -0.151 4.360 4.470 0.069 0.000 0.229 262 S C 1.941 176.508 174.600 -0.055 0.000 1.030 262 S CA 1.635 59.857 58.200 0.037 0.000 1.002 262 S CB -0.265 62.976 63.200 0.069 0.000 0.829 262 S HN 0.790 nan 8.310 nan 0.000 0.467 263 E N -1.086 119.066 120.200 -0.081 0.000 2.481 263 E HA 0.190 4.582 4.350 0.069 0.000 0.198 263 E C 0.699 177.122 176.600 -0.295 0.000 1.027 263 E CA -0.060 56.249 56.400 -0.152 0.000 0.900 263 E CB 0.044 29.703 29.700 -0.068 0.000 0.993 263 E HN 0.398 nan 8.360 nan 0.000 0.482 264 N N 0.143 118.616 118.700 -0.379 0.000 2.113 264 N HA 0.081 4.862 4.740 0.069 0.000 0.223 264 N C 0.961 176.352 175.510 -0.198 0.000 1.310 264 N CA 0.040 52.838 53.050 -0.419 0.000 0.896 264 N CB 0.692 38.615 38.487 -0.940 0.000 1.097 264 N HN 0.102 nan 8.380 nan 0.000 0.507 265 I N 1.407 121.884 120.570 -0.156 0.000 2.876 265 I HA 0.118 4.329 4.170 0.069 0.000 0.264 265 I C 2.111 178.267 176.117 0.066 0.000 1.204 265 I CA 0.688 62.033 61.300 0.076 0.000 1.485 265 I CB -0.332 37.690 38.000 0.036 0.000 1.103 265 I HN 0.022 nan 8.210 nan 0.000 0.446 266 G N 0.444 109.100 108.800 -0.239 0.000 2.469 266 G HA2 -0.302 3.699 3.960 0.069 0.000 0.219 266 G HA3 -0.302 3.699 3.960 0.069 0.000 0.219 266 G C 1.585 176.379 174.900 -0.177 0.000 1.150 266 G CA 1.095 46.035 45.100 -0.267 0.000 0.763 266 G HN 0.480 nan 8.290 nan 0.000 0.561 267 F N -0.461 119.492 119.950 0.006 0.000 2.408 267 F HA 0.090 4.658 4.527 0.068 0.000 0.300 267 F C 1.815 177.451 175.800 -0.273 0.000 1.090 267 F CA 0.216 58.109 58.000 -0.178 0.000 1.427 267 F CB -0.204 38.594 39.000 -0.337 0.000 1.070 267 F HN 0.065 nan 8.300 nan 0.000 0.549 268 F N -0.476 119.525 119.950 0.085 0.000 2.749 268 F HA 0.375 4.944 4.527 0.070 0.000 0.300 268 F C 1.740 177.595 175.800 0.091 0.000 1.103 268 F CA 0.378 58.428 58.000 0.082 0.000 1.342 268 F CB 0.064 39.098 39.000 0.057 0.000 1.098 268 F HN -0.004 nan 8.300 nan 0.000 0.586 269 G N 0.166 109.088 108.800 0.203 0.000 2.148 269 G HA2 -0.126 3.875 3.960 0.069 0.000 0.203 269 G HA3 -0.126 3.875 3.960 0.069 0.000 0.203 269 G C 0.585 175.553 174.900 0.114 0.000 0.993 269 G CA -0.358 44.821 45.100 0.132 0.000 0.661 269 G HN 0.707 nan 8.290 nan 0.000 0.518 270 G N -0.614 108.260 108.800 0.123 0.000 2.537 270 G HA2 0.489 4.491 3.960 0.069 0.000 0.273 270 G HA3 0.489 4.491 3.960 0.069 0.000 0.273 270 G C -0.810 174.110 174.900 0.033 0.000 1.189 270 G CA 0.279 45.430 45.100 0.085 0.000 0.881 270 G HN 0.239 nan 8.290 nan 0.000 0.535 271 D N 0.545 120.963 120.400 0.030 0.000 2.460 271 D HA 0.311 4.993 4.640 0.069 0.000 0.232 271 D C -1.260 175.047 176.300 0.011 0.000 1.079 271 D CA -2.337 51.669 54.000 0.010 0.000 0.864 271 D CB 1.950 42.757 40.800 0.012 0.000 1.048 271 D HN 0.026 nan 8.370 nan 0.000 0.523 272 P HA -0.071 nan 4.420 nan 0.000 0.225 272 P C 1.181 178.491 177.300 0.016 0.000 1.148 272 P CA 0.557 63.659 63.100 0.002 0.000 0.779 272 P CB 0.518 32.198 31.700 -0.034 0.000 0.780 273 L N -1.352 119.874 121.223 0.004 0.000 2.640 273 L HA 0.192 4.574 4.340 0.069 0.000 0.230 273 L C 1.298 178.171 176.870 0.006 0.000 1.123 273 L CA 0.162 55.002 54.840 0.001 0.000 0.900 273 L CB 0.054 42.104 42.059 -0.015 0.000 1.146 273 L HN -0.206 nan 8.230 nan 0.000 0.484 274 R N 0.663 121.174 120.500 0.019 0.000 2.701 274 R HA 0.405 4.787 4.340 0.069 0.000 0.281 274 R C -0.710 175.618 176.300 0.046 0.000 1.367 274 R CA -0.163 55.946 56.100 0.015 0.000 1.510 274 R CB 0.897 31.193 30.300 -0.007 0.000 1.306 274 R HN 0.117 nan 8.270 nan 0.000 0.682 275 I N 0.953 121.579 120.570 0.093 0.000 2.331 275 I HA 0.228 4.439 4.170 0.069 0.000 0.292 275 I C 0.192 176.411 176.117 0.171 0.000 0.998 275 I CA -0.234 61.148 61.300 0.136 0.000 1.267 275 I CB 1.948 40.057 38.000 0.182 0.000 1.386 275 I HN 0.007 nan 8.210 nan 0.000 0.476 276 T N 5.916 120.542 114.554 0.119 0.000 2.770 276 T HA 0.354 4.745 4.350 0.069 0.000 0.283 276 T C -0.158 174.606 174.700 0.106 0.000 0.988 276 T CA -0.356 61.812 62.100 0.112 0.000 0.957 276 T CB 1.623 70.522 68.868 0.051 0.000 0.930 276 T HN 0.168 nan 8.240 nan 0.000 0.443 277 V N 5.996 125.896 119.914 -0.023 0.000 2.509 277 V HA 0.726 4.887 4.120 0.069 0.000 0.284 277 V C -0.569 175.582 176.094 0.095 0.000 1.047 277 V CA -0.397 61.835 62.300 -0.114 0.000 0.952 277 V CB 0.589 31.998 31.823 -0.689 0.000 0.988 277 V HN 0.810 nan 8.190 nan 0.000 0.469 278 F N 2.578 122.426 119.950 -0.170 0.000 2.631 278 F HA 0.981 5.552 4.527 0.072 0.000 0.308 278 F C -0.219 175.376 175.800 -0.343 0.000 1.097 278 F CA -1.293 56.626 58.000 -0.135 0.000 0.952 278 F CB 1.625 40.659 39.000 0.056 0.000 1.307 278 F HN 0.716 nan 8.300 nan 0.000 0.450 279 G N 0.391 108.949 108.800 -0.404 0.000 2.632 279 G HA2 0.536 4.537 3.960 0.069 0.000 0.292 279 G HA3 0.536 4.537 3.960 0.069 0.000 0.292 279 G C -2.233 172.519 174.900 -0.246 0.000 1.465 279 G CA -0.691 43.978 45.100 -0.719 0.000 0.824 279 G HN 0.911 nan 8.290 nan 0.000 0.509 280 S N -0.771 114.822 115.700 -0.177 0.000 2.532 280 S HA 0.806 5.317 4.470 0.069 0.000 0.301 280 S C 0.987 175.602 174.600 0.025 0.000 1.083 280 S CA 1.308 59.526 58.200 0.030 0.000 1.025 280 S CB 1.024 64.306 63.200 0.137 0.000 1.056 280 S HN 2.655 nan 8.310 nan 0.000 0.494 281 G N 2.979 111.871 108.800 0.154 0.000 2.556 281 G HA2 -0.237 3.765 3.960 0.069 0.000 0.283 281 G HA3 -0.237 3.765 3.960 0.069 0.000 0.283 281 G C 1.104 176.008 174.900 0.006 0.000 1.177 281 G CA 0.388 45.641 45.100 0.255 0.000 0.978 281 G HN 1.722 nan 8.290 nan 0.000 0.554 282 A N 0.156 122.857 122.820 -0.199 0.000 2.067 282 A HA 0.314 4.675 4.320 0.069 0.000 0.219 282 A C 2.834 180.219 177.584 -0.331 0.000 1.158 282 A CA 2.377 54.146 52.037 -0.446 0.000 0.661 282 A CB -1.036 17.383 19.000 -0.969 0.000 0.801 282 A HN 2.163 nan 8.150 nan 0.000 0.452 283 G N -0.118 108.528 108.800 -0.258 0.000 2.421 283 G HA2 -0.009 3.992 3.960 0.069 0.000 0.216 283 G HA3 -0.009 3.992 3.960 0.069 0.000 0.216 283 G C 1.554 176.303 174.900 -0.251 0.000 1.171 283 G CA 1.183 46.103 45.100 -0.300 0.000 0.775 283 G HN 0.653 nan 8.290 nan 0.000 0.543 284 G N 0.682 109.388 108.800 -0.157 0.000 2.446 284 G HA2 -0.201 3.800 3.960 0.069 0.000 0.217 284 G HA3 -0.201 3.800 3.960 0.069 0.000 0.217 284 G C 2.151 177.000 174.900 -0.086 0.000 1.168 284 G CA 1.546 46.589 45.100 -0.095 0.000 0.771 284 G HN 0.424 nan 8.290 nan 0.000 0.551 285 S N -0.209 115.453 115.700 -0.064 0.000 2.353 285 S HA -0.209 4.302 4.470 0.069 0.000 0.222 285 S C 2.518 177.101 174.600 -0.029 0.000 1.035 285 S CA 1.368 59.557 58.200 -0.018 0.000 1.025 285 S CB -0.671 62.554 63.200 0.043 0.000 0.902 285 S HN 0.564 nan 8.310 nan 0.000 0.440 286 C N 1.136 120.403 119.300 -0.054 0.000 2.376 286 C HA -0.089 4.412 4.460 0.069 0.000 0.275 286 C C 2.652 177.558 174.990 -0.139 0.000 1.200 286 C CA 0.692 59.652 59.018 -0.097 0.000 1.756 286 C CB -1.511 26.115 27.740 -0.191 0.000 2.050 286 C HN 0.422 nan 8.230 nan 0.000 0.460 287 V N 1.818 121.623 119.914 -0.182 0.000 2.231 287 V HA -0.279 3.882 4.120 0.069 0.000 0.248 287 V C 2.313 178.322 176.094 -0.140 0.000 1.054 287 V CA 2.325 64.500 62.300 -0.208 0.000 1.015 287 V CB -0.758 30.941 31.823 -0.208 0.000 0.638 287 V HN 0.559 nan 8.190 nan 0.000 0.444 288 N N 0.018 118.654 118.700 -0.105 0.000 2.069 288 N HA -0.143 4.638 4.740 0.069 0.000 0.191 288 N C 1.883 177.366 175.510 -0.045 0.000 1.031 288 N CA 1.586 54.592 53.050 -0.073 0.000 0.852 288 N CB -0.385 38.072 38.487 -0.049 0.000 1.018 288 N HN 0.391 nan 8.380 nan 0.000 0.423 289 L N 1.192 122.393 121.223 -0.037 0.000 2.043 289 L HA -0.168 4.213 4.340 0.069 0.000 0.212 289 L C 2.388 179.261 176.870 0.005 0.000 1.075 289 L CA 0.963 55.791 54.840 -0.019 0.000 0.752 289 L CB -0.512 41.529 42.059 -0.030 0.000 0.891 289 L HN 0.166 nan 8.230 nan 0.000 0.432 290 L N -0.350 120.876 121.223 0.006 0.000 2.191 290 L HA -0.188 4.193 4.340 0.069 0.000 0.212 290 L C 2.660 179.609 176.870 0.133 0.000 1.103 290 L CA 1.779 56.675 54.840 0.094 0.000 0.769 290 L CB -0.822 41.303 42.059 0.110 0.000 0.908 290 L HN 0.492 nan 8.230 nan 0.000 0.438 291 T N -3.121 111.444 114.554 0.019 0.000 3.118 291 T HA 0.001 4.392 4.350 0.069 0.000 0.260 291 T C 1.508 176.219 174.700 0.018 0.000 1.139 291 T CA 0.431 62.425 62.100 -0.178 0.000 1.085 291 T CB -0.091 68.567 68.868 -0.349 0.000 0.934 291 T HN 0.288 nan 8.240 nan 0.000 0.518 292 L N 0.566 121.822 121.223 0.055 0.000 2.585 292 L HA 0.341 4.723 4.340 0.069 0.000 0.226 292 L C 1.295 178.255 176.870 0.149 0.000 1.113 292 L CA -0.235 54.673 54.840 0.114 0.000 0.876 292 L CB 0.109 42.214 42.059 0.077 0.000 1.072 292 L HN 0.200 nan 8.230 nan 0.000 0.468 293 S N -1.119 114.663 115.700 0.136 0.000 2.499 293 S HA 0.187 4.698 4.470 0.069 0.000 0.279 293 S C 0.636 175.351 174.600 0.192 0.000 1.219 293 S CA -0.426 57.900 58.200 0.209 0.000 1.062 293 S CB 0.643 63.959 63.200 0.194 0.000 0.978 293 S HN 0.252 nan 8.310 nan 0.000 0.489 294 H N 3.365 122.550 119.070 0.193 0.000 2.547 294 H HA 0.187 4.784 4.556 0.068 0.000 0.266 294 H C 0.304 175.673 175.328 0.069 0.000 0.988 294 H CA 0.707 56.817 56.048 0.104 0.000 1.147 294 H CB -0.025 29.756 29.762 0.033 0.000 1.365 294 H HN 0.686 nan 8.280 nan 0.000 0.589 295 Y N -0.330 120.049 120.300 0.130 0.000 2.395 295 Y HA -0.107 4.486 4.550 0.070 0.000 0.293 295 Y C 2.269 178.222 175.900 0.090 0.000 1.123 295 Y CA 1.129 59.292 58.100 0.105 0.000 1.227 295 Y CB 0.322 38.842 38.460 0.100 0.000 1.012 295 Y HN 0.189 nan 8.280 nan 0.000 0.552 296 S N -0.726 115.113 115.700 0.231 0.000 2.634 296 S HA 0.052 4.563 4.470 0.069 0.000 0.221 296 S C 0.519 175.101 174.600 -0.029 0.000 0.952 296 S CA -0.467 57.821 58.200 0.147 0.000 0.930 296 S CB -0.391 62.953 63.200 0.240 0.000 0.780 296 S HN 0.422 nan 8.310 nan 0.000 0.498 308 L N -0.078 121.143 121.223 -0.003 0.000 2.470 308 L HA 0.493 4.874 4.340 0.069 0.000 0.219 308 L C 0.643 177.662 176.870 0.248 0.000 1.071 308 L CA 0.380 55.297 54.840 0.127 0.000 0.850 308 L CB 0.110 42.296 42.059 0.212 0.000 1.040 308 L HN 0.338 nan 8.230 nan 0.000 0.475 309 F N -3.394 116.636 119.950 0.134 0.000 2.686 309 F HA 0.537 5.106 4.527 0.070 0.000 0.311 309 F C -0.004 175.908 175.800 0.187 0.000 1.128 309 F CA -0.858 57.226 58.000 0.140 0.000 0.946 309 F CB 1.347 40.430 39.000 0.138 0.000 1.336 309 F HN -0.349 nan 8.300 nan 0.000 0.457 310 Q N -0.040 119.979 119.800 0.365 0.000 2.254 310 Q HA 0.422 4.803 4.340 0.069 0.000 0.259 310 Q C -0.569 175.620 176.000 0.315 0.000 0.815 310 Q CA 0.105 56.016 55.803 0.179 0.000 0.961 310 Q CB 1.158 29.924 28.738 0.047 0.000 1.140 310 Q HN 0.607 nan 8.270 nan 0.000 0.502 311 R N -0.465 120.285 120.500 0.416 0.000 2.836 311 R HA 0.895 5.276 4.340 0.069 0.000 0.269 311 R C -1.399 175.140 176.300 0.398 0.000 1.010 311 R CA -0.960 55.339 56.100 0.332 0.000 0.930 311 R CB 1.969 32.256 30.300 -0.021 0.000 1.218 311 R HN -0.004 nan 8.270 nan 0.000 0.473 312 A N 1.729 124.759 122.820 0.350 0.000 2.488 312 A HA 0.661 5.022 4.320 0.069 0.000 0.298 312 A C -1.061 176.559 177.584 0.060 0.000 1.044 312 A CA -0.723 51.396 52.037 0.137 0.000 0.693 312 A CB 1.137 20.147 19.000 0.017 0.000 1.272 312 A HN 0.632 nan 8.150 nan 0.000 0.402 313 I N 1.873 122.442 120.570 -0.002 0.000 2.411 313 I HA 0.571 4.782 4.170 0.069 0.000 0.284 313 I C 0.383 176.484 176.117 -0.027 0.000 1.012 313 I CA -0.488 60.744 61.300 -0.114 0.000 1.119 313 I CB 1.944 39.826 38.000 -0.196 0.000 1.261 313 I HN 0.694 nan 8.210 nan 0.000 0.448 314 A N 6.241 129.017 122.820 -0.074 0.000 2.258 314 A HA 0.643 5.004 4.320 0.069 0.000 0.316 314 A C -0.482 177.117 177.584 0.025 0.000 1.279 314 A CA -0.476 51.537 52.037 -0.040 0.000 0.876 314 A CB 0.574 19.526 19.000 -0.079 0.000 1.170 314 A HN 0.736 nan 8.150 nan 0.000 0.520 315 Q N 1.653 121.519 119.800 0.109 0.000 2.325 315 Q HA 0.478 4.859 4.340 0.069 0.000 0.262 315 Q C -0.127 175.970 176.000 0.163 0.000 0.968 315 Q CA -0.547 55.376 55.803 0.199 0.000 0.877 315 Q CB 1.466 30.394 28.738 0.316 0.000 1.253 315 Q HN 0.829 nan 8.270 nan 0.000 0.448 316 S N 1.237 117.027 115.700 0.150 0.000 3.447 316 S HA -0.153 4.358 4.470 0.069 0.000 0.371 316 S C -0.003 174.850 174.600 0.422 0.000 0.951 316 S CA 0.546 58.925 58.200 0.298 0.000 1.269 316 S CB -1.181 62.196 63.200 0.294 0.000 0.919 316 S HN 0.947 nan 8.310 nan 0.000 0.516 317 G N -0.013 108.932 108.800 0.243 0.000 2.716 317 G HA2 0.619 4.620 3.960 0.069 0.000 0.299 317 G HA3 0.619 4.620 3.960 0.069 0.000 0.299 317 G C -0.737 174.201 174.900 0.064 0.000 1.450 317 G CA 0.140 45.338 45.100 0.164 0.000 0.968 317 G HN 0.843 nan 8.290 nan 0.000 0.566 318 T N -1.657 112.922 114.554 0.041 0.000 2.696 318 T HA 0.747 5.138 4.350 0.069 0.000 0.291 318 T C 0.678 175.377 174.700 -0.001 0.000 1.095 318 T CA 0.218 62.320 62.100 0.003 0.000 1.026 318 T CB 1.673 70.535 68.868 -0.010 0.000 1.390 318 T HN 1.662 nan 8.240 nan 0.000 0.513 319 A N -0.276 122.537 122.820 -0.012 0.000 2.430 319 A HA 0.559 4.920 4.320 0.069 0.000 0.243 319 A C 1.286 178.862 177.584 -0.014 0.000 1.254 319 A CA -0.336 51.696 52.037 -0.009 0.000 0.914 319 A CB -0.562 18.431 19.000 -0.011 0.000 0.998 319 A HN 0.699 nan 8.150 nan 0.000 0.515 320 L N 0.235 121.433 121.223 -0.042 0.000 2.858 320 L HA 0.161 4.542 4.340 0.069 0.000 0.251 320 L C 0.804 177.578 176.870 -0.162 0.000 1.149 320 L CA 0.091 54.892 54.840 -0.065 0.000 0.955 320 L CB 0.279 42.303 42.059 -0.058 0.000 1.289 320 L HN 0.376 nan 8.230 nan 0.000 0.542 321 S N -0.675 114.895 115.700 -0.216 0.000 2.603 321 S HA 0.109 4.621 4.470 0.069 0.000 0.268 321 S C 1.403 175.747 174.600 -0.427 0.000 1.317 321 S CA -0.047 57.885 58.200 -0.447 0.000 1.012 321 S CB 1.541 64.440 63.200 -0.502 0.000 0.926 321 S HN 0.277 nan 8.310 nan 0.000 0.539 322 S N -0.036 115.247 115.700 -0.695 0.000 2.442 322 S HA -0.113 4.398 4.470 0.069 0.000 0.236 322 S C 0.904 175.271 174.600 -0.387 0.000 1.007 322 S CA 0.751 58.602 58.200 -0.581 0.000 0.965 322 S CB -0.794 61.887 63.200 -0.865 0.000 0.773 322 S HN 1.014 nan 8.310 nan 0.000 0.504 323 W N 0.653 121.778 121.300 -0.291 0.000 3.015 323 W HA 0.870 5.584 4.660 0.090 0.000 0.429 323 W C 1.188 177.639 176.519 -0.113 0.000 0.976 323 W CA -1.488 55.738 57.345 -0.198 0.000 2.086 323 W CB -0.906 28.442 29.460 -0.187 0.000 1.125 323 W HN 0.229 nan 8.180 nan 0.000 0.721 324 A N 0.884 123.799 122.820 0.159 0.000 1.878 324 A HA 0.321 4.682 4.320 0.069 0.000 0.213 324 A C 0.943 178.485 177.584 -0.071 0.000 1.192 324 A CA 1.704 53.812 52.037 0.120 0.000 0.619 324 A CB -0.522 18.497 19.000 0.032 0.000 0.837 324 A HN 0.407 nan 8.150 nan 0.000 0.446 325 V N -1.696 118.052 119.914 -0.275 0.000 3.001 325 V HA 0.713 4.874 4.120 0.069 0.000 0.314 325 V C -0.313 175.348 176.094 -0.722 0.000 1.099 325 V CA -0.289 61.676 62.300 -0.557 0.000 0.989 325 V CB 1.867 33.311 31.823 -0.632 0.000 1.040 325 V HN 0.218 nan 8.190 nan 0.000 0.434 326 S N 2.641 117.973 115.700 -0.614 0.000 2.430 326 S HA 0.524 5.035 4.470 0.069 0.000 0.289 326 S C 0.112 174.437 174.600 -0.458 0.000 1.143 326 S CA -0.412 57.525 58.200 -0.438 0.000 1.067 326 S CB -0.088 62.932 63.200 -0.300 0.000 0.964 326 S HN 0.650 nan 8.310 nan 0.000 0.485 327 F N 2.432 122.378 119.950 -0.007 0.000 2.776 327 F HA 0.247 4.814 4.527 0.066 0.000 0.300 327 F C 1.606 177.406 175.800 0.001 0.000 1.116 327 F CA -0.119 57.877 58.000 -0.007 0.000 1.375 327 F CB 0.359 39.355 39.000 -0.006 0.000 1.109 327 F HN 0.526 nan 8.300 nan 0.000 0.585 328 Q N 0.806 120.695 119.800 0.149 0.000 2.506 328 Q HA 0.152 4.533 4.340 0.069 0.000 0.380 328 Q C -1.992 174.070 176.000 0.104 0.000 0.867 328 Q CA -1.413 54.451 55.803 0.101 0.000 1.093 328 Q CB 0.651 29.435 28.738 0.076 0.000 1.388 328 Q HN 0.115 nan 8.270 nan 0.000 0.400 329 P HA -0.225 nan 4.420 nan 0.000 0.215 329 P C 1.271 178.595 177.300 0.040 0.000 1.157 329 P CA 1.563 64.688 63.100 0.041 0.000 0.868 329 P CB 0.289 31.998 31.700 0.015 0.000 0.788 330 A N 1.042 123.869 122.820 0.013 0.000 1.903 330 A HA -0.265 4.096 4.320 0.069 0.000 0.219 330 A C 2.444 180.000 177.584 -0.046 0.000 1.191 330 A CA 2.741 54.775 52.037 -0.005 0.000 0.638 330 A CB -1.518 17.474 19.000 -0.013 0.000 0.823 330 A HN 0.241 nan 8.150 nan 0.000 0.451 331 K N -1.598 118.728 120.400 -0.123 0.000 2.032 331 K HA -0.211 4.150 4.320 0.069 0.000 0.209 331 K C 1.771 178.181 176.600 -0.318 0.000 1.048 331 K CA 2.088 58.212 56.287 -0.272 0.000 0.927 331 K CB -0.404 31.817 32.500 -0.464 0.000 0.712 331 K HN 0.591 nan 8.250 nan 0.000 0.441 332 Y N -0.022 120.208 120.300 -0.115 0.000 2.395 332 Y HA 0.041 4.638 4.550 0.077 0.000 0.293 332 Y C 2.334 178.246 175.900 0.019 0.000 1.123 332 Y CA 0.536 58.541 58.100 -0.159 0.000 1.227 332 Y CB -0.105 38.057 38.460 -0.497 0.000 1.012 332 Y HN 0.208 nan 8.280 nan 0.000 0.552 333 A N 0.582 123.510 122.820 0.181 0.000 1.877 333 A HA -0.240 4.121 4.320 0.069 0.000 0.216 333 A C 2.179 179.841 177.584 0.130 0.000 1.186 333 A CA 1.916 54.084 52.037 0.218 0.000 0.620 333 A CB -0.682 18.390 19.000 0.121 0.000 0.822 333 A HN 0.397 nan 8.150 nan 0.000 0.443 334 R N -0.317 120.217 120.500 0.056 0.000 2.083 334 R HA -0.112 4.269 4.340 0.069 0.000 0.237 334 R C 1.979 178.305 176.300 0.042 0.000 1.137 334 R CA 1.986 58.101 56.100 0.025 0.000 0.951 334 R CB -0.440 29.847 30.300 -0.021 0.000 0.851 334 R HN 0.595 nan 8.270 nan 0.000 0.434 335 I N 0.349 120.947 120.570 0.047 0.000 2.226 335 I HA -0.272 3.939 4.170 0.069 0.000 0.245 335 I C 2.264 178.458 176.117 0.127 0.000 1.100 335 I CA 0.770 62.112 61.300 0.071 0.000 1.374 335 I CB -0.289 37.758 38.000 0.077 0.000 1.057 335 I HN 0.264 nan 8.210 nan 0.000 0.413 336 L N 1.297 122.643 121.223 0.205 0.000 1.994 336 L HA -0.150 4.231 4.340 0.069 0.000 0.208 336 L C 2.653 179.595 176.870 0.120 0.000 1.071 336 L CA 2.141 57.105 54.840 0.206 0.000 0.745 336 L CB -0.726 41.518 42.059 0.308 0.000 0.892 336 L HN 0.176 nan 8.230 nan 0.000 0.431 337 A N -1.218 121.662 122.820 0.100 0.000 1.884 337 A HA -0.300 4.062 4.320 0.069 0.000 0.219 337 A C 2.329 179.944 177.584 0.051 0.000 1.197 337 A CA 2.784 54.858 52.037 0.062 0.000 0.637 337 A CB -1.504 17.522 19.000 0.043 0.000 0.827 337 A HN 0.537 nan 8.150 nan 0.000 0.450 338 T N -0.295 114.289 114.554 0.049 0.000 2.665 338 T HA -0.173 4.219 4.350 0.069 0.000 0.268 338 T C 1.884 176.608 174.700 0.041 0.000 1.035 338 T CA 1.850 63.973 62.100 0.037 0.000 1.151 338 T CB -0.256 68.630 68.868 0.030 0.000 0.862 338 T HN 0.535 nan 8.240 nan 0.000 0.438 339 K N 0.808 121.241 120.400 0.056 0.000 2.280 339 K HA -0.030 4.331 4.320 0.069 0.000 0.202 339 K C 1.831 178.457 176.600 0.044 0.000 1.047 339 K CA 1.028 57.347 56.287 0.053 0.000 0.942 339 K CB -0.012 32.531 32.500 0.071 0.000 0.739 339 K HN 0.411 nan 8.250 nan 0.000 0.457 340 V N -3.750 116.190 119.914 0.044 0.000 3.319 340 V HA 0.399 4.560 4.120 0.069 0.000 0.317 340 V C 0.436 176.547 176.094 0.028 0.000 1.411 340 V CA 0.043 62.364 62.300 0.035 0.000 1.112 340 V CB 0.109 31.956 31.823 0.039 0.000 1.031 340 V HN 0.245 nan 8.190 nan 0.000 0.448 341 G N 0.072 108.888 108.800 0.027 0.000 2.341 341 G HA2 -0.192 3.809 3.960 0.069 0.000 0.278 341 G HA3 -0.192 3.809 3.960 0.069 0.000 0.278 341 G C -0.146 174.767 174.900 0.021 0.000 1.111 341 G CA -0.044 45.069 45.100 0.021 0.000 0.982 341 G HN 0.733 nan 8.290 nan 0.000 0.502 342 c N -0.201 118.414 118.600 0.024 0.000 2.470 342 c HA 0.635 5.246 4.570 0.069 0.000 0.341 342 c C 0.811 174.911 174.090 0.018 0.000 1.190 342 c CA -0.657 55.685 56.329 0.022 0.000 1.904 342 c CB 1.888 44.414 42.510 0.027 0.000 2.354 342 c HN 0.682 nan 8.230 nan 0.000 0.509 343 Q N 1.075 120.884 119.800 0.015 0.000 2.348 343 Q HA 0.192 4.573 4.340 0.069 0.000 0.251 343 Q C 0.729 176.736 176.000 0.010 0.000 1.113 343 Q CA -0.105 55.705 55.803 0.011 0.000 0.902 343 Q CB 0.773 29.517 28.738 0.010 0.000 1.333 343 Q HN 0.779 nan 8.270 nan 0.000 0.457 344 V N 0.403 120.323 119.914 0.009 0.000 3.592 344 V HA -0.093 4.068 4.120 0.069 0.000 0.272 344 V C 1.469 177.565 176.094 0.003 0.000 1.228 344 V CA 0.753 63.057 62.300 0.007 0.000 1.173 344 V CB -1.016 30.811 31.823 0.006 0.000 0.873 344 V HN 0.628 nan 8.190 nan 0.000 0.476 345 S N 1.563 117.265 115.700 0.003 0.000 2.499 345 S HA -0.153 4.358 4.470 0.069 0.000 0.206 345 S C 0.576 175.177 174.600 0.002 0.000 1.165 345 S CA 1.015 59.216 58.200 0.002 0.000 1.503 345 S CB -0.781 62.421 63.200 0.003 0.000 1.004 345 S HN 0.610 nan 8.310 nan 0.000 0.385 346 D N 1.832 122.234 120.400 0.004 0.000 2.382 346 D HA 0.225 4.906 4.640 0.069 0.000 0.240 346 D C 1.395 177.698 176.300 0.004 0.000 1.146 346 D CA 0.682 54.684 54.000 0.004 0.000 0.897 346 D CB 0.801 41.605 40.800 0.006 0.000 1.197 346 D HN 0.650 nan 8.370 nan 0.000 0.432 347 T N -2.410 112.146 114.554 0.004 0.000 2.985 347 T HA -0.102 4.290 4.350 0.069 0.000 0.266 347 T C 1.891 176.592 174.700 0.002 0.000 1.076 347 T CA 0.986 63.087 62.100 0.001 0.000 1.135 347 T CB -0.430 68.439 68.868 0.002 0.000 0.890 347 T HN 0.338 nan 8.240 nan 0.000 0.480 348 V N 0.222 120.141 119.914 0.008 0.000 2.427 348 V HA -0.033 4.128 4.120 0.069 0.000 0.248 348 V C 2.434 178.536 176.094 0.013 0.000 1.051 348 V CA 1.808 64.115 62.300 0.013 0.000 1.048 348 V CB -0.997 30.836 31.823 0.016 0.000 0.666 348 V HN 0.458 nan 8.190 nan 0.000 0.456 349 E N 0.030 120.237 120.200 0.011 0.000 2.208 349 E HA -0.121 4.270 4.350 0.069 0.000 0.193 349 E C 2.081 178.689 176.600 0.012 0.000 0.988 349 E CA 1.109 57.517 56.400 0.013 0.000 0.828 349 E CB 0.004 29.710 29.700 0.011 0.000 0.763 349 E HN 0.725 nan 8.360 nan 0.000 0.478 350 L N 0.085 121.312 121.223 0.006 0.000 2.005 350 L HA -0.160 4.221 4.340 0.069 0.000 0.207 350 L C 2.268 179.132 176.870 -0.010 0.000 1.072 350 L CA 0.977 55.817 54.840 0.000 0.000 0.744 350 L CB -0.155 41.901 42.059 -0.006 0.000 0.895 350 L HN 0.007 nan 8.230 nan 0.000 0.433 351 V N 0.154 120.052 119.914 -0.028 0.000 2.295 351 V HA -0.285 3.876 4.120 0.069 0.000 0.246 351 V C 2.412 178.530 176.094 0.041 0.000 1.049 351 V CA 2.111 64.379 62.300 -0.054 0.000 1.024 351 V CB -0.702 31.085 31.823 -0.061 0.000 0.648 351 V HN 0.489 nan 8.190 nan 0.000 0.447 352 E N -0.844 119.381 120.200 0.042 0.000 2.097 352 E HA -0.317 4.074 4.350 0.069 0.000 0.196 352 E C 2.284 178.920 176.600 0.059 0.000 1.000 352 E CA 1.810 58.242 56.400 0.053 0.000 0.804 352 E CB -0.411 29.309 29.700 0.033 0.000 0.740 352 E HN 0.685 nan 8.360 nan 0.000 0.454 353 c N 0.534 119.162 118.600 0.048 0.000 2.432 353 c HA -0.118 4.494 4.570 0.069 0.000 0.277 353 c C 2.527 176.663 174.090 0.076 0.000 1.249 353 c CA 0.724 57.082 56.329 0.048 0.000 1.725 353 c CB -0.928 41.603 42.510 0.035 0.000 2.028 353 c HN 0.344 nan 8.230 nan 0.000 0.477 354 L N 0.131 121.417 121.223 0.105 0.000 2.156 354 L HA -0.100 4.281 4.340 0.069 0.000 0.208 354 L C 2.892 179.941 176.870 0.300 0.000 1.095 354 L CA 0.992 55.944 54.840 0.186 0.000 0.770 354 L CB -0.908 41.252 42.059 0.168 0.000 0.914 354 L HN 0.349 nan 8.230 nan 0.000 0.439 355 Q N 0.867 120.856 119.800 0.315 0.000 2.217 355 Q HA -0.252 4.129 4.340 0.069 0.000 0.209 355 Q C 1.926 177.969 176.000 0.073 0.000 0.988 355 Q CA 1.710 57.650 55.803 0.228 0.000 0.878 355 Q CB -0.055 28.778 28.738 0.158 0.000 0.909 355 Q HN 0.573 nan 8.270 nan 0.000 0.424 356 K N -0.129 120.313 120.400 0.071 0.000 2.352 356 K HA 0.105 4.467 4.320 0.069 0.000 0.194 356 K C 0.400 177.014 176.600 0.023 0.000 1.038 356 K CA 0.017 56.322 56.287 0.030 0.000 1.023 356 K CB 0.466 32.981 32.500 0.026 0.000 0.840 356 K HN 0.033 nan 8.250 nan 0.000 0.519 357 K N 2.180 122.604 120.400 0.040 0.000 2.258 357 K HA 0.141 4.502 4.320 0.069 0.000 0.264 357 K C -2.586 174.018 176.600 0.007 0.000 1.007 357 K CA -1.738 54.563 56.287 0.023 0.000 0.941 357 K CB 0.018 32.540 32.500 0.037 0.000 0.966 357 K HN -0.191 nan 8.250 nan 0.000 0.480 358 P HA -0.063 nan 4.420 nan 0.000 0.267 358 P C 0.074 177.312 177.300 -0.104 0.000 1.205 358 P CA 0.043 63.087 63.100 -0.093 0.000 0.765 358 P CB 0.112 31.724 31.700 -0.146 0.000 0.828 359 Y N 3.436 123.715 120.300 -0.034 0.000 2.256 359 Y HA -0.211 4.379 4.550 0.067 0.000 0.288 359 Y C 1.561 177.448 175.900 -0.021 0.000 1.155 359 Y CA 1.322 59.399 58.100 -0.038 0.000 1.203 359 Y CB -1.081 37.344 38.460 -0.058 0.000 0.980 359 Y HN 0.167 nan 8.280 nan 0.000 0.530 360 K N 0.782 120.925 120.400 -0.427 0.000 2.097 360 K HA -0.182 4.179 4.320 0.069 0.000 0.206 360 K C 1.867 178.424 176.600 -0.071 0.000 1.049 360 K CA 1.759 57.914 56.287 -0.220 0.000 0.933 360 K CB -0.226 32.080 32.500 -0.323 0.000 0.717 360 K HN 0.601 nan 8.250 nan 0.000 0.442 361 E N 0.785 120.940 120.200 -0.074 0.000 2.118 361 E HA -0.173 4.218 4.350 0.069 0.000 0.195 361 E C 2.094 178.701 176.600 0.012 0.000 0.992 361 E CA 0.958 57.344 56.400 -0.024 0.000 0.804 361 E CB -0.082 29.607 29.700 -0.019 0.000 0.741 361 E HN 0.278 nan 8.360 nan 0.000 0.458 362 L N 0.242 121.484 121.223 0.030 0.000 2.095 362 L HA -0.106 4.275 4.340 0.069 0.000 0.204 362 L C 2.455 179.339 176.870 0.023 0.000 1.080 362 L CA 0.578 55.441 54.840 0.037 0.000 0.759 362 L CB -0.320 41.779 42.059 0.067 0.000 0.914 362 L HN 0.024 nan 8.230 nan 0.000 0.439 363 V N -0.490 119.457 119.914 0.055 0.000 2.453 363 V HA -0.197 3.964 4.120 0.069 0.000 0.247 363 V C 1.582 177.705 176.094 0.048 0.000 1.048 363 V CA 1.510 63.846 62.300 0.060 0.000 1.049 363 V CB -0.434 31.459 31.823 0.117 0.000 0.672 363 V HN 0.371 nan 8.190 nan 0.000 0.457 364 D N -0.640 119.784 120.400 0.039 0.000 2.363 364 D HA 0.030 4.711 4.640 0.069 0.000 0.226 364 D C 1.014 177.337 176.300 0.038 0.000 1.020 364 D CA 0.351 54.371 54.000 0.033 0.000 0.892 364 D CB -0.053 40.757 40.800 0.017 0.000 0.900 364 D HN 0.366 nan 8.370 nan 0.000 0.531 365 Q N 0.777 120.603 119.800 0.044 0.000 2.293 365 Q HA 0.208 4.589 4.340 0.069 0.000 0.251 365 Q C -0.919 175.129 176.000 0.081 0.000 0.930 365 Q CA -0.207 55.632 55.803 0.059 0.000 0.893 365 Q CB 1.213 29.990 28.738 0.065 0.000 1.215 365 Q HN -0.184 nan 8.270 nan 0.000 0.425 366 D N 2.158 122.609 120.400 0.086 0.000 2.454 366 D HA 0.307 4.989 4.640 0.069 0.000 0.225 366 D C -1.491 174.883 176.300 0.124 0.000 1.081 366 D CA -0.365 53.691 54.000 0.094 0.000 0.864 366 D CB 0.597 41.437 40.800 0.067 0.000 1.040 366 D HN 0.215 nan 8.370 nan 0.000 0.517 367 V N 4.743 124.760 119.914 0.172 0.000 2.313 367 V HA 0.287 4.448 4.120 0.069 0.000 0.278 367 V C 0.205 176.366 176.094 0.113 0.000 1.017 367 V CA -0.736 61.684 62.300 0.200 0.000 0.823 367 V CB 1.042 33.077 31.823 0.353 0.000 1.010 367 V HN 0.462 nan 8.190 nan 0.000 0.443 368 Q N 6.582 126.441 119.800 0.098 0.000 2.294 368 Q HA 0.400 4.781 4.340 0.069 0.000 0.257 368 Q C -2.092 173.941 176.000 0.056 0.000 0.955 368 Q CA -1.349 54.484 55.803 0.050 0.000 0.936 368 Q CB 1.893 30.661 28.738 0.050 0.000 1.188 368 Q HN 0.560 nan 8.270 nan 0.000 0.420 369 P HA 0.295 nan 4.420 nan 0.000 0.301 369 P C -1.130 176.185 177.300 0.025 0.000 1.309 369 P CA -0.596 62.460 63.100 -0.074 0.000 0.782 369 P CB 0.552 32.077 31.700 -0.291 0.000 1.282 370 A N 0.536 123.375 122.820 0.032 0.000 2.507 370 A HA 0.036 4.397 4.320 0.069 0.000 0.235 370 A C 1.773 179.372 177.584 0.025 0.000 1.070 370 A CA -0.116 51.906 52.037 -0.024 0.000 0.768 370 A CB -0.241 18.632 19.000 -0.212 0.000 1.011 370 A HN 0.474 nan 8.150 nan 0.000 0.502 371 R N 0.381 120.837 120.500 -0.074 0.000 2.206 371 R HA -0.230 4.151 4.340 0.069 0.000 0.240 371 R C 0.545 176.675 176.300 -0.283 0.000 1.117 371 R CA 2.539 58.447 56.100 -0.321 0.000 0.915 371 R CB -0.848 29.057 30.300 -0.659 0.000 0.888 371 R HN 0.862 nan 8.270 nan 0.000 0.432 372 Y N -0.254 120.206 120.300 0.267 0.000 2.756 372 Y HA 0.244 4.806 4.550 0.019 0.000 0.300 372 Y C 0.540 176.424 175.900 -0.027 0.000 1.113 372 Y CA -0.455 57.737 58.100 0.153 0.000 1.291 372 Y CB 0.152 38.539 38.460 -0.122 0.000 1.175 372 Y HN 0.110 nan 8.280 nan 0.000 0.534 373 H N -0.431 118.741 119.070 0.170 0.000 2.864 373 H HA 0.442 5.038 4.556 0.066 0.000 0.354 373 H C -0.881 174.478 175.328 0.051 0.000 1.208 373 H CA -0.969 55.143 56.048 0.107 0.000 1.191 373 H CB 2.788 32.572 29.762 0.037 0.000 1.889 373 H HN -0.057 nan 8.280 nan 0.000 0.574 374 I N 0.323 120.948 120.570 0.091 0.000 2.646 374 I HA 0.238 4.449 4.170 0.069 0.000 0.299 374 I C 0.656 176.591 176.117 -0.304 0.000 1.036 374 I CA -0.183 61.079 61.300 -0.064 0.000 1.074 374 I CB 1.878 39.875 38.000 -0.005 0.000 1.258 374 I HN 0.777 nan 8.210 nan 0.000 0.430 375 A N 6.149 128.675 122.820 -0.490 0.000 1.881 375 A HA 0.197 4.558 4.320 0.069 0.000 0.210 375 A C 0.248 177.319 177.584 -0.854 0.000 1.239 375 A CA 0.779 52.189 52.037 -1.045 0.000 0.629 375 A CB -0.133 18.109 19.000 -1.263 0.000 0.906 375 A HN 0.481 nan 8.150 nan 0.000 0.460 376 F N -0.106 119.737 119.950 -0.178 0.000 2.347 376 F HA 0.633 5.197 4.527 0.062 0.000 0.366 376 F C 0.689 176.340 175.800 -0.248 0.000 1.107 376 F CA -0.010 57.946 58.000 -0.074 0.000 1.058 376 F CB 1.495 40.539 39.000 0.073 0.000 1.236 376 F HN 0.334 nan 8.300 nan 0.000 0.456 377 G N 2.666 111.263 108.800 -0.338 0.000 2.619 377 G HA2 0.567 4.568 3.960 0.069 0.000 0.305 377 G HA3 0.567 4.568 3.960 0.069 0.000 0.305 377 G C -3.327 171.053 174.900 -0.865 0.000 1.330 377 G CA -1.654 42.766 45.100 -1.133 0.000 0.789 377 G HN 0.107 nan 8.290 nan 0.000 0.487 378 P HA 0.314 nan 4.420 nan 0.000 0.267 378 P C -0.542 176.565 177.300 -0.322 0.000 1.195 378 P CA -0.036 62.806 63.100 -0.430 0.000 0.773 378 P CB 1.038 32.466 31.700 -0.452 0.000 0.837 379 V N 3.994 123.799 119.914 -0.182 0.000 2.925 379 V HA 0.308 4.469 4.120 0.069 0.000 0.311 379 V C -0.085 175.941 176.094 -0.114 0.000 1.104 379 V CA -0.865 61.334 62.300 -0.168 0.000 0.954 379 V CB 2.146 33.907 31.823 -0.103 0.000 1.022 379 V HN 0.320 nan 8.190 nan 0.000 0.427 380 I N 5.080 125.599 120.570 -0.085 0.000 2.471 380 I HA 0.122 4.333 4.170 0.069 0.000 0.294 380 I C 0.542 176.654 176.117 -0.008 0.000 1.123 380 I CA 0.313 61.603 61.300 -0.017 0.000 1.336 380 I CB 0.307 38.334 38.000 0.045 0.000 1.430 380 I HN 0.755 nan 8.210 nan 0.000 0.533 381 D N 4.359 124.752 120.400 -0.012 0.000 2.431 381 D HA 0.095 4.776 4.640 0.069 0.000 0.213 381 D C 1.307 177.618 176.300 0.018 0.000 1.130 381 D CA 0.244 54.240 54.000 -0.008 0.000 0.834 381 D CB 0.602 41.378 40.800 -0.040 0.000 0.985 381 D HN 0.658 nan 8.370 nan 0.000 0.504 382 G N 0.806 109.625 108.800 0.031 0.000 2.175 382 G HA2 -0.369 3.632 3.960 0.069 0.000 0.265 382 G HA3 -0.369 3.632 3.960 0.069 0.000 0.265 382 G C 0.404 175.341 174.900 0.062 0.000 0.979 382 G CA 1.057 46.181 45.100 0.041 0.000 0.663 382 G HN 0.578 nan 8.290 nan 0.000 0.533 383 D N -1.843 118.605 120.400 0.080 0.000 2.973 383 D HA 0.217 4.898 4.640 0.069 0.000 0.187 383 D C 2.319 178.754 176.300 0.225 0.000 1.467 383 D CA 0.979 55.072 54.000 0.155 0.000 1.515 383 D CB -0.420 40.474 40.800 0.156 0.000 1.182 383 D HN 0.193 nan 8.370 nan 0.000 0.213 384 V N 1.093 121.069 119.914 0.103 0.000 2.255 384 V HA -0.020 4.141 4.120 0.069 0.000 0.247 384 V C 1.146 177.283 176.094 0.072 0.000 1.051 384 V CA 1.240 63.531 62.300 -0.014 0.000 1.018 384 V CB -0.378 31.285 31.823 -0.267 0.000 0.641 384 V HN 0.318 nan 8.190 nan 0.000 0.445 385 I N 1.690 122.279 120.570 0.032 0.000 2.428 385 I HA 0.225 4.436 4.170 0.069 0.000 0.279 385 I C -1.705 174.447 176.117 0.058 0.000 1.040 385 I CA -1.635 59.691 61.300 0.044 0.000 1.171 385 I CB 1.785 39.783 38.000 -0.003 0.000 1.312 385 I HN 0.151 nan 8.210 nan 0.000 0.470 386 P HA -0.021 nan 4.420 nan 0.000 0.226 386 P C 0.071 177.405 177.300 0.058 0.000 1.153 386 P CA 1.224 64.368 63.100 0.074 0.000 0.777 386 P CB 0.441 32.191 31.700 0.084 0.000 0.794 387 D N -2.060 118.378 120.400 0.062 0.000 2.808 387 D HA 0.052 4.734 4.640 0.069 0.000 0.294 387 D C -1.507 174.838 176.300 0.076 0.000 1.278 387 D CA -0.638 53.399 54.000 0.062 0.000 0.756 387 D CB 0.410 41.241 40.800 0.052 0.000 1.271 387 D HN -0.302 nan 8.370 nan 0.000 0.425 388 D N 1.082 121.536 120.400 0.091 0.000 2.570 388 D HA 0.052 4.733 4.640 0.069 0.000 0.243 388 D C -1.578 174.776 176.300 0.089 0.000 1.171 388 D CA -0.766 53.307 54.000 0.122 0.000 0.879 388 D CB 1.168 42.024 40.800 0.094 0.000 1.143 388 D HN 0.005 nan 8.370 nan 0.000 0.511 389 P HA -0.232 nan 4.420 nan 0.000 0.216 389 P C 1.211 178.542 177.300 0.051 0.000 1.154 389 P CA 1.521 64.655 63.100 0.057 0.000 0.865 389 P CB 0.157 31.882 31.700 0.041 0.000 0.789 390 Q N -0.701 119.130 119.800 0.052 0.000 2.096 390 Q HA -0.175 4.206 4.340 0.069 0.000 0.204 390 Q C 1.878 177.912 176.000 0.055 0.000 0.982 390 Q CA 1.715 57.544 55.803 0.043 0.000 0.850 390 Q CB -0.894 27.859 28.738 0.025 0.000 0.901 390 Q HN 0.073 nan 8.270 nan 0.000 0.422 391 I N 0.186 120.787 120.570 0.051 0.000 2.113 391 I HA -0.252 3.959 4.170 0.069 0.000 0.238 391 I C 2.277 178.431 176.117 0.062 0.000 1.070 391 I CA 1.174 62.505 61.300 0.051 0.000 1.332 391 I CB -1.544 36.480 38.000 0.040 0.000 1.044 391 I HN 0.297 nan 8.210 nan 0.000 0.402 392 L N -0.415 120.850 121.223 0.069 0.000 1.997 392 L HA -0.290 4.091 4.340 0.069 0.000 0.216 392 L C 2.738 179.691 176.870 0.138 0.000 1.074 392 L CA 1.665 56.559 54.840 0.090 0.000 0.763 392 L CB -0.583 41.545 42.059 0.115 0.000 0.890 392 L HN 0.258 nan 8.230 nan 0.000 0.434 393 M N -1.016 118.668 119.600 0.140 0.000 2.175 393 M HA -0.220 4.301 4.480 0.069 0.000 0.264 393 M C 2.138 178.584 176.300 0.243 0.000 1.063 393 M CA 1.605 57.019 55.300 0.189 0.000 1.119 393 M CB -0.540 32.069 32.600 0.016 0.000 1.377 393 M HN 0.269 nan 8.290 nan 0.000 0.415 394 E N 0.318 120.618 120.200 0.165 0.000 2.150 394 E HA -0.192 4.200 4.350 0.069 0.000 0.193 394 E C 1.670 178.393 176.600 0.205 0.000 0.985 394 E CA 1.006 57.523 56.400 0.195 0.000 0.814 394 E CB 0.169 29.944 29.700 0.126 0.000 0.752 394 E HN 0.557 nan 8.360 nan 0.000 0.466 395 Q N -1.281 118.555 119.800 0.060 0.000 2.360 395 Q HA 0.126 4.507 4.340 0.069 0.000 0.202 395 Q C 0.742 176.495 176.000 -0.412 0.000 0.915 395 Q CA 0.380 56.162 55.803 -0.035 0.000 0.943 395 Q CB 1.146 29.866 28.738 -0.031 0.000 1.064 395 Q HN 0.357 nan 8.270 nan 0.000 0.511 396 G N 1.773 110.055 108.800 -0.863 0.000 2.176 396 G HA2 -0.234 3.768 3.960 0.069 0.000 0.252 396 G HA3 -0.234 3.768 3.960 0.069 0.000 0.252 396 G C -0.078 174.114 174.900 -1.180 0.000 1.024 396 G CA -0.043 43.874 45.100 -1.971 0.000 0.755 396 G HN 0.257 nan 8.290 nan 0.000 0.507 397 E N -0.121 119.773 120.200 -0.510 0.000 2.392 397 E HA 0.423 4.814 4.350 0.069 0.000 0.307 397 E C 0.282 176.877 176.600 -0.008 0.000 1.505 397 E CA 0.176 56.450 56.400 -0.210 0.000 1.716 397 E CB -0.597 29.079 29.700 -0.041 0.000 1.450 397 E HN 0.740 nan 8.360 nan 0.000 0.484 398 F N -2.099 117.790 119.950 -0.101 0.000 2.668 398 F HA 0.485 5.055 4.527 0.071 0.000 0.309 398 F C -0.732 175.056 175.800 -0.020 0.000 1.117 398 F CA -1.376 56.599 58.000 -0.042 0.000 0.951 398 F CB 0.815 39.787 39.000 -0.047 0.000 1.323 398 F HN -0.230 nan 8.300 nan 0.000 0.451 399 L N 2.128 123.497 121.223 0.244 0.000 2.469 399 L HA 0.341 4.722 4.340 0.069 0.000 0.253 399 L C 0.005 176.995 176.870 0.199 0.000 1.143 399 L CA -1.191 53.687 54.840 0.064 0.000 0.804 399 L CB 0.594 42.557 42.059 -0.159 0.000 1.214 399 L HN 0.800 nan 8.230 nan 0.000 0.476 400 N N 0.107 118.777 118.700 -0.051 0.000 2.470 400 N HA 0.157 4.938 4.740 0.069 0.000 0.268 400 N C -1.448 173.936 175.510 -0.210 0.000 1.136 400 N CA 0.064 53.128 53.050 0.024 0.000 0.961 400 N CB 0.554 39.032 38.487 -0.016 0.000 1.067 400 N HN 0.346 nan 8.380 nan 0.000 0.468 401 Y N -0.578 119.831 120.300 0.181 0.000 2.581 401 Y HA 0.294 4.887 4.550 0.071 0.000 0.345 401 Y C -0.303 175.687 175.900 0.150 0.000 1.036 401 Y CA -1.127 57.054 58.100 0.135 0.000 1.042 401 Y CB 1.537 40.095 38.460 0.163 0.000 1.289 401 Y HN 0.375 nan 8.280 nan 0.000 0.471 402 D N 2.926 123.499 120.400 0.287 0.000 2.312 402 D HA 0.316 4.997 4.640 0.069 0.000 0.252 402 D C -0.509 176.085 176.300 0.489 0.000 1.150 402 D CA 0.363 54.540 54.000 0.294 0.000 0.870 402 D CB 1.073 41.867 40.800 -0.010 0.000 1.153 402 D HN 0.261 nan 8.370 nan 0.000 0.457 403 I N 1.883 122.687 120.570 0.390 0.000 2.509 403 I HA 0.399 4.611 4.170 0.069 0.000 0.293 403 I C -0.045 176.019 176.117 -0.088 0.000 1.020 403 I CA -0.667 60.700 61.300 0.112 0.000 1.088 403 I CB 1.778 39.673 38.000 -0.175 0.000 1.267 403 I HN 0.216 nan 8.210 nan 0.000 0.430 404 M N 8.138 127.502 119.600 -0.392 0.000 2.259 404 M HA 0.666 5.188 4.480 0.069 0.000 0.304 404 M C -1.732 174.360 176.300 -0.346 0.000 1.019 404 M CA -0.530 54.425 55.300 -0.574 0.000 0.922 404 M CB 2.069 33.899 32.600 -1.285 0.000 1.600 404 M HN 0.597 nan 8.290 nan 0.000 0.433 405 L N 2.020 123.081 121.223 -0.270 0.000 2.415 405 L HA 1.167 5.548 4.340 0.069 0.000 0.256 405 L C -0.779 175.592 176.870 -0.831 0.000 1.010 405 L CA -0.737 53.895 54.840 -0.346 0.000 0.826 405 L CB 2.070 43.953 42.059 -0.293 0.000 1.405 405 L HN 0.747 nan 8.230 nan 0.000 0.410 406 G N 0.156 108.332 108.800 -1.040 0.000 2.550 406 G HA2 0.640 4.641 3.960 0.069 0.000 0.293 406 G HA3 0.640 4.641 3.960 0.069 0.000 0.293 406 G C -1.520 172.829 174.900 -0.919 0.000 1.402 406 G CA -0.083 43.905 45.100 -1.853 0.000 0.784 406 G HN 1.208 nan 8.290 nan 0.000 0.482 407 V N -2.148 117.379 119.914 -0.646 0.000 3.078 407 V HA 0.813 4.974 4.120 0.069 0.000 0.311 407 V C -0.948 175.169 176.094 0.038 0.000 1.138 407 V CA -1.472 60.753 62.300 -0.126 0.000 1.007 407 V CB 1.934 33.809 31.823 0.086 0.000 1.045 407 V HN 0.636 nan 8.190 nan 0.000 0.432 408 N N 1.274 119.997 118.700 0.039 0.000 2.482 408 N HA 0.346 5.128 4.740 0.069 0.000 0.279 408 N C 0.695 176.208 175.510 0.006 0.000 1.182 408 N CA -0.326 52.760 53.050 0.061 0.000 0.969 408 N CB 1.423 39.885 38.487 -0.042 0.000 1.201 408 N HN 0.964 nan 8.380 nan 0.000 0.523 409 Q N 0.361 120.087 119.800 -0.123 0.000 2.084 409 Q HA -0.018 4.363 4.340 0.069 0.000 0.202 409 Q C 0.257 176.186 176.000 -0.119 0.000 0.978 409 Q CA 1.413 57.039 55.803 -0.295 0.000 0.844 409 Q CB -0.088 28.152 28.738 -0.831 0.000 0.898 409 Q HN 0.768 nan 8.270 nan 0.000 0.426 410 G N 0.047 108.770 108.800 -0.128 0.000 4.828 410 G HA2 0.108 4.110 3.960 0.069 0.000 0.294 410 G HA3 0.108 4.110 3.960 0.069 0.000 0.294 410 G C 0.138 174.984 174.900 -0.089 0.000 1.288 410 G CA -0.399 44.668 45.100 -0.055 0.000 0.987 410 G HN 0.167 nan 8.290 nan 0.000 0.587 411 E N 0.962 121.039 120.200 -0.204 0.000 2.108 411 E HA -0.159 4.232 4.350 0.069 0.000 0.203 411 E C 2.125 178.616 176.600 -0.180 0.000 1.022 411 E CA 1.517 57.636 56.400 -0.467 0.000 0.823 411 E CB -0.077 28.851 29.700 -1.287 0.000 0.744 411 E HN 0.393 nan 8.360 nan 0.000 0.456 412 G N 1.767 110.644 108.800 0.129 0.000 3.414 412 G HA2 0.070 4.071 3.960 0.069 0.000 0.258 412 G HA3 0.070 4.071 3.960 0.069 0.000 0.258 412 G C 1.133 176.197 174.900 0.274 0.000 1.348 412 G CA -0.314 45.054 45.100 0.446 0.000 1.319 412 G HN 0.099 nan 8.290 nan 0.000 0.555 413 L N -0.232 121.091 121.223 0.166 0.000 2.013 413 L HA -0.089 4.292 4.340 0.069 0.000 0.212 413 L C 2.291 179.246 176.870 0.142 0.000 1.073 413 L CA 1.508 56.435 54.840 0.146 0.000 0.753 413 L CB -0.056 42.030 42.059 0.045 0.000 0.890 413 L HN 0.196 nan 8.230 nan 0.000 0.432 414 K N -0.679 119.796 120.400 0.125 0.000 2.442 414 K HA -0.180 4.181 4.320 0.069 0.000 0.198 414 K C 1.794 178.430 176.600 0.060 0.000 1.042 414 K CA 0.878 57.218 56.287 0.090 0.000 0.958 414 K CB -0.439 32.118 32.500 0.095 0.000 0.766 414 K HN 0.382 nan 8.250 nan 0.000 0.474 415 F N 0.270 120.110 119.950 -0.183 0.000 2.407 415 F HA -0.132 4.413 4.527 0.030 0.000 0.299 415 F C 1.549 177.223 175.800 -0.211 0.000 1.097 415 F CA 0.591 58.344 58.000 -0.412 0.000 1.422 415 F CB 0.466 38.828 39.000 -1.063 0.000 1.067 415 F HN -0.278 nan 8.300 nan 0.000 0.539 416 V N -0.894 118.933 119.914 -0.144 0.000 3.359 416 V HA -0.055 4.107 4.120 0.069 0.000 0.245 416 V C 1.905 177.998 176.094 -0.000 0.000 1.247 416 V CA 0.646 62.852 62.300 -0.156 0.000 1.145 416 V CB 0.220 32.040 31.823 -0.006 0.000 0.906 416 V HN 0.184 nan 8.190 nan 0.000 0.464 417 E N 1.908 122.173 120.200 0.109 0.000 2.113 417 E HA -0.336 4.055 4.350 0.069 0.000 0.210 417 E C 1.744 178.404 176.600 0.100 0.000 1.040 417 E CA 2.431 58.933 56.400 0.170 0.000 0.847 417 E CB -0.179 29.577 29.700 0.093 0.000 0.755 417 E HN 0.910 nan 8.360 nan 0.000 0.459 418 N N -0.539 118.173 118.700 0.019 0.000 2.463 418 N HA -0.056 4.725 4.740 0.069 0.000 0.181 418 N C 1.391 176.884 175.510 -0.028 0.000 1.078 418 N CA 0.235 53.284 53.050 -0.003 0.000 0.902 418 N CB 0.177 38.650 38.487 -0.023 0.000 0.970 418 N HN 0.134 nan 8.380 nan 0.000 0.451 419 I N 0.691 121.226 120.570 -0.059 0.000 3.883 419 I HA 0.147 4.358 4.170 0.069 0.000 0.326 419 I C 0.965 177.054 176.117 -0.047 0.000 1.283 419 I CA -0.005 61.246 61.300 -0.083 0.000 1.161 419 I CB -0.481 37.420 38.000 -0.164 0.000 1.012 419 I HN 0.080 nan 8.210 nan 0.000 0.421 420 V N 3.004 122.912 119.914 -0.010 0.000 3.264 420 V HA 0.059 4.220 4.120 0.069 0.000 0.304 420 V C -0.203 175.900 176.094 0.015 0.000 1.086 420 V CA 0.013 62.309 62.300 -0.007 0.000 1.090 420 V CB 1.525 33.384 31.823 0.060 0.000 1.112 420 V HN 0.539 nan 8.190 nan 0.000 0.472 421 D N 1.121 121.525 120.400 0.006 0.000 2.656 421 D HA 0.245 4.927 4.640 0.069 0.000 0.303 421 D C 0.531 176.847 176.300 0.027 0.000 1.199 421 D CA 0.317 54.327 54.000 0.016 0.000 0.797 421 D CB 0.448 41.250 40.800 0.003 0.000 1.170 421 D HN 0.800 nan 8.370 nan 0.000 0.509 422 S N 0.023 115.756 115.700 0.055 0.000 2.626 422 S HA -0.447 4.065 4.470 0.069 0.000 0.264 422 S C 0.709 175.342 174.600 0.054 0.000 1.330 422 S CA 1.906 60.143 58.200 0.062 0.000 1.506 422 S CB -1.860 61.366 63.200 0.044 0.000 1.952 422 S HN 0.441 nan 8.310 nan 0.000 0.723 423 D N 1.682 122.099 120.400 0.028 0.000 2.369 423 D HA 0.308 4.989 4.640 0.069 0.000 0.211 423 D C -0.027 176.262 176.300 -0.019 0.000 1.077 423 D CA 0.496 54.503 54.000 0.011 0.000 0.842 423 D CB 0.107 40.906 40.800 -0.003 0.000 0.947 423 D HN 0.462 nan 8.370 nan 0.000 0.509 424 D N -0.489 119.895 120.400 -0.026 0.000 2.907 424 D HA -0.115 4.567 4.640 0.069 0.000 0.226 424 D C 0.353 176.460 176.300 -0.322 0.000 1.141 424 D CA 1.286 55.175 54.000 -0.184 0.000 0.779 424 D CB -1.283 39.425 40.800 -0.154 0.000 1.095 424 D HN 0.393 nan 8.370 nan 0.000 0.430 425 G N -1.635 107.051 108.800 -0.190 0.000 2.658 425 G HA2 0.686 4.687 3.960 0.069 0.000 0.292 425 G HA3 0.686 4.687 3.960 0.069 0.000 0.292 425 G C -1.015 173.811 174.900 -0.122 0.000 1.320 425 G CA -0.580 44.418 45.100 -0.171 0.000 0.933 425 G HN 0.132 nan 8.290 nan 0.000 0.476 426 V N 0.914 120.771 119.914 -0.095 0.000 2.540 426 V HA 0.507 4.668 4.120 0.069 0.000 0.302 426 V C 0.582 176.673 176.094 -0.006 0.000 1.035 426 V CA -0.795 61.481 62.300 -0.040 0.000 0.873 426 V CB 1.573 33.388 31.823 -0.013 0.000 0.992 426 V HN 1.094 nan 8.190 nan 0.000 0.428 427 S N 3.898 119.611 115.700 0.021 0.000 2.572 427 S HA 0.338 4.849 4.470 0.069 0.000 0.279 427 S C 1.381 176.021 174.600 0.067 0.000 1.341 427 S CA 0.186 58.409 58.200 0.037 0.000 1.043 427 S CB 1.428 64.659 63.200 0.052 0.000 0.887 427 S HN 1.226 nan 8.310 nan 0.000 0.516 428 A N 2.104 124.946 122.820 0.037 0.000 2.070 428 A HA -0.022 4.339 4.320 0.069 0.000 0.220 428 A C 2.373 180.034 177.584 0.129 0.000 1.159 428 A CA 1.650 53.707 52.037 0.033 0.000 0.656 428 A CB -1.206 17.787 19.000 -0.012 0.000 0.800 428 A HN 0.964 nan 8.150 nan 0.000 0.453 429 S N -0.249 115.522 115.700 0.118 0.000 2.335 429 S HA -0.147 4.364 4.470 0.069 0.000 0.217 429 S C 1.699 176.418 174.600 0.198 0.000 1.032 429 S CA 1.371 59.650 58.200 0.131 0.000 0.985 429 S CB -0.420 62.842 63.200 0.104 0.000 0.896 429 S HN 0.564 nan 8.310 nan 0.000 0.445 430 D N 0.332 120.848 120.400 0.194 0.000 2.182 430 D HA -0.088 4.594 4.640 0.069 0.000 0.201 430 D C 1.587 178.011 176.300 0.207 0.000 0.986 430 D CA 0.851 54.973 54.000 0.204 0.000 0.847 430 D CB -0.417 40.439 40.800 0.094 0.000 0.942 430 D HN 0.478 nan 8.370 nan 0.000 0.467 431 F N 2.000 121.986 119.950 0.059 0.000 2.026 431 F HA -0.241 4.330 4.527 0.074 0.000 0.296 431 F C 1.911 177.775 175.800 0.106 0.000 1.133 431 F CA 1.783 59.811 58.000 0.047 0.000 1.188 431 F CB -0.242 38.763 39.000 0.009 0.000 0.968 431 F HN -0.200 nan 8.300 nan 0.000 0.476 432 D N -0.012 120.593 120.400 0.342 0.000 2.133 432 D HA -0.256 4.425 4.640 0.069 0.000 0.192 432 D C 2.213 178.605 176.300 0.153 0.000 1.001 432 D CA 1.835 55.962 54.000 0.213 0.000 0.844 432 D CB -0.640 40.267 40.800 0.178 0.000 0.944 432 D HN 0.388 nan 8.370 nan 0.000 0.447 433 F N 0.842 120.822 119.950 0.051 0.000 2.011 433 F HA -0.301 4.273 4.527 0.080 0.000 0.296 433 F C 2.475 178.289 175.800 0.022 0.000 1.144 433 F CA 1.233 59.256 58.000 0.038 0.000 1.185 433 F CB -0.242 38.775 39.000 0.028 0.000 0.961 433 F HN -0.023 nan 8.300 nan 0.000 0.485 434 A N -0.078 122.858 122.820 0.193 0.000 1.881 434 A HA -0.289 4.072 4.320 0.069 0.000 0.219 434 A C 2.124 179.800 177.584 0.153 0.000 1.215 434 A CA 2.643 54.708 52.037 0.047 0.000 0.648 434 A CB -1.463 17.425 19.000 -0.186 0.000 0.832 434 A HN 0.286 nan 8.150 nan 0.000 0.455 435 V N -0.837 119.060 119.914 -0.028 0.000 2.427 435 V HA -0.185 3.977 4.120 0.069 0.000 0.248 435 V C 2.746 178.970 176.094 0.217 0.000 1.051 435 V CA 2.280 64.604 62.300 0.041 0.000 1.048 435 V CB -0.777 30.945 31.823 -0.167 0.000 0.666 435 V HN 0.651 nan 8.190 nan 0.000 0.456 436 S N 0.063 115.878 115.700 0.191 0.000 2.355 436 S HA -0.194 4.317 4.470 0.069 0.000 0.222 436 S C 1.844 176.588 174.600 0.240 0.000 1.031 436 S CA 2.053 60.372 58.200 0.197 0.000 0.993 436 S CB -0.470 62.824 63.200 0.155 0.000 0.859 436 S HN 0.738 nan 8.310 nan 0.000 0.453 437 N N -0.179 118.706 118.700 0.309 0.000 2.069 437 N HA -0.114 4.667 4.740 0.069 0.000 0.191 437 N C 1.582 177.286 175.510 0.323 0.000 1.031 437 N CA 1.613 54.845 53.050 0.302 0.000 0.852 437 N CB -0.330 38.336 38.487 0.299 0.000 1.018 437 N HN 0.450 nan 8.380 nan 0.000 0.423 438 F N 1.732 121.831 119.950 0.247 0.000 2.043 438 F HA -0.248 4.312 4.527 0.055 0.000 0.297 438 F C 2.078 177.970 175.800 0.154 0.000 1.121 438 F CA 1.246 59.385 58.000 0.233 0.000 1.199 438 F CB -0.360 38.731 39.000 0.152 0.000 0.968 438 F HN -0.201 nan 8.300 nan 0.000 0.478 439 V N 0.548 120.522 119.914 0.099 0.000 2.490 439 V HA -0.293 3.869 4.120 0.069 0.000 0.250 439 V C 1.893 178.021 176.094 0.056 0.000 1.061 439 V CA 2.072 64.399 62.300 0.046 0.000 1.064 439 V CB -0.793 31.125 31.823 0.159 0.000 0.670 439 V HN 0.342 nan 8.190 nan 0.000 0.461 440 D N 0.584 121.032 120.400 0.079 0.000 2.087 440 D HA -0.166 4.515 4.640 0.069 0.000 0.192 440 D C 2.024 178.327 176.300 0.006 0.000 0.993 440 D CA 1.915 55.951 54.000 0.061 0.000 0.828 440 D CB -0.491 40.368 40.800 0.099 0.000 0.968 440 D HN 0.559 nan 8.370 nan 0.000 0.448 441 N N -0.247 118.462 118.700 0.015 0.000 2.120 441 N HA -0.099 4.682 4.740 0.069 0.000 0.188 441 N C 1.507 176.976 175.510 -0.068 0.000 1.024 441 N CA 0.521 53.573 53.050 0.004 0.000 0.852 441 N CB 0.040 38.585 38.487 0.098 0.000 1.003 441 N HN 0.053 nan 8.380 nan 0.000 0.424 442 L N -0.836 120.238 121.223 -0.250 0.000 2.240 442 L HA -0.013 4.368 4.340 0.069 0.000 0.211 442 L C 0.830 177.310 176.870 -0.651 0.000 1.106 442 L CA 1.692 56.223 54.840 -0.514 0.000 0.793 442 L CB -0.590 40.886 42.059 -0.973 0.000 0.927 442 L HN 0.316 nan 8.230 nan 0.000 0.446 443 Y N -1.793 118.386 120.300 -0.202 0.000 2.494 443 Y HA 0.420 5.011 4.550 0.070 0.000 0.271 443 Y C 1.619 177.341 175.900 -0.297 0.000 1.113 443 Y CA 0.404 58.389 58.100 -0.192 0.000 1.240 443 Y CB 0.585 39.001 38.460 -0.073 0.000 1.268 443 Y HN 0.141 nan 8.280 nan 0.000 0.510 444 G N 0.383 109.112 108.800 -0.118 0.000 2.893 444 G HA2 -0.215 3.786 3.960 0.069 0.000 0.222 444 G HA3 -0.215 3.786 3.960 0.069 0.000 0.222 444 G C -0.845 173.974 174.900 -0.135 0.000 1.345 444 G CA -0.284 44.672 45.100 -0.241 0.000 1.129 444 G HN 0.194 nan 8.290 nan 0.000 0.560 451 V N 0.054 119.989 119.914 0.035 0.000 2.548 451 V HA -0.062 4.099 4.120 0.069 0.000 0.249 451 V C 1.987 178.080 176.094 -0.002 0.000 1.055 451 V CA 1.235 63.542 62.300 0.011 0.000 1.065 451 V CB -0.284 31.538 31.823 -0.002 0.000 0.681 451 V HN 0.145 nan 8.190 nan 0.000 0.462 452 L N 0.711 121.928 121.223 -0.010 0.000 2.044 452 L HA 0.095 4.476 4.340 0.069 0.000 0.205 452 L C 2.730 179.602 176.870 0.004 0.000 1.075 452 L CA 2.285 57.093 54.840 -0.053 0.000 0.747 452 L CB -0.963 41.032 42.059 -0.107 0.000 0.903 452 L HN 0.317 nan 8.230 nan 0.000 0.435 453 R N -0.741 119.787 120.500 0.048 0.000 2.105 453 R HA -0.156 4.225 4.340 0.069 0.000 0.239 453 R C 2.166 178.542 176.300 0.127 0.000 1.135 453 R CA 1.413 57.572 56.100 0.099 0.000 0.967 453 R CB -0.028 30.332 30.300 0.101 0.000 0.861 453 R HN 0.358 nan 8.270 nan 0.000 0.442 454 E N -0.528 119.736 120.200 0.105 0.000 2.047 454 E HA -0.118 4.273 4.350 0.069 0.000 0.191 454 E C 1.994 178.699 176.600 0.175 0.000 0.987 454 E CA 1.752 58.231 56.400 0.133 0.000 0.799 454 E CB -0.361 29.384 29.700 0.076 0.000 0.752 454 E HN 0.342 nan 8.360 nan 0.000 0.449 455 T N 1.665 116.283 114.554 0.106 0.000 2.720 455 T HA -0.108 4.283 4.350 0.069 0.000 0.268 455 T C 2.150 176.966 174.700 0.193 0.000 1.037 455 T CA 1.095 63.266 62.100 0.119 0.000 1.144 455 T CB -0.208 68.657 68.868 -0.005 0.000 0.864 455 T HN 0.089 nan 8.240 nan 0.000 0.444 456 I N 0.536 121.195 120.570 0.148 0.000 2.286 456 I HA -0.116 4.095 4.170 0.069 0.000 0.245 456 I C 2.544 178.879 176.117 0.364 0.000 1.104 456 I CA 1.169 62.605 61.300 0.227 0.000 1.397 456 I CB -0.252 37.885 38.000 0.228 0.000 1.072 456 I HN 0.139 nan 8.210 nan 0.000 0.417 457 K N 0.381 120.982 120.400 0.335 0.000 2.032 457 K HA -0.240 4.121 4.320 0.069 0.000 0.209 457 K C 2.168 179.018 176.600 0.417 0.000 1.048 457 K CA 1.949 58.488 56.287 0.420 0.000 0.927 457 K CB -0.430 32.298 32.500 0.379 0.000 0.712 457 K HN 0.230 nan 8.250 nan 0.000 0.441 458 F N 1.500 121.626 119.950 0.294 0.000 2.102 458 F HA -0.235 4.333 4.527 0.069 0.000 0.298 458 F C 2.174 178.137 175.800 0.272 0.000 1.105 458 F CA 1.342 59.569 58.000 0.379 0.000 1.239 458 F CB -0.033 39.126 39.000 0.266 0.000 0.991 458 F HN -0.087 nan 8.300 nan 0.000 0.474 459 M N -0.795 118.835 119.600 0.051 0.000 2.213 459 M HA -0.182 4.340 4.480 0.069 0.000 0.263 459 M C 0.874 176.931 176.300 -0.404 0.000 1.062 459 M CA 1.457 56.609 55.300 -0.247 0.000 1.105 459 M CB -1.416 31.083 32.600 -0.168 0.000 1.385 459 M HN 0.236 nan 8.290 nan 0.000 0.417 460 Y N 0.001 120.288 120.300 -0.021 0.000 2.811 460 Y HA 0.209 4.804 4.550 0.076 0.000 0.330 460 Y C 0.127 175.975 175.900 -0.086 0.000 1.081 460 Y CA -0.266 57.852 58.100 0.031 0.000 1.408 460 Y CB -0.035 38.548 38.460 0.205 0.000 1.235 460 Y HN -0.072 nan 8.280 nan 0.000 0.529 461 T N 0.013 114.351 114.554 -0.359 0.000 2.812 461 T HA 0.083 4.474 4.350 0.069 0.000 0.282 461 T C -0.900 173.228 174.700 -0.952 0.000 0.990 461 T CA -0.801 60.809 62.100 -0.818 0.000 0.960 461 T CB 1.313 69.346 68.868 -1.392 0.000 0.948 461 T HN 0.039 nan 8.240 nan 0.000 0.438 462 D N 2.693 122.679 120.400 -0.689 0.000 2.402 462 D HA 0.090 4.771 4.640 0.069 0.000 0.235 462 D C -0.636 175.389 176.300 -0.459 0.000 1.226 462 D CA -0.671 53.051 54.000 -0.463 0.000 0.918 462 D CB 0.339 40.980 40.800 -0.265 0.000 1.043 462 D HN 0.525 nan 8.370 nan 0.000 0.506 463 W N 3.746 124.956 121.300 -0.150 0.000 1.564 463 W HA 0.417 5.120 4.660 0.071 0.000 0.480 463 W C 0.872 177.349 176.519 -0.071 0.000 0.699 463 W CA -0.678 56.601 57.345 -0.109 0.000 1.985 463 W CB 0.197 29.606 29.460 -0.085 0.000 1.738 463 W HN 0.491 nan 8.180 nan 0.000 0.218 464 A N 1.045 123.907 122.820 0.070 0.000 1.704 464 A HA 0.072 4.433 4.320 0.069 0.000 0.205 464 A C -0.099 177.509 177.584 0.040 0.000 1.837 464 A CA 0.022 52.094 52.037 0.058 0.000 1.364 464 A CB 0.233 19.249 19.000 0.026 0.000 1.377 464 A HN 0.203 nan 8.150 nan 0.000 0.390 465 D N 0.352 120.747 120.400 -0.009 0.000 2.364 465 D HA 0.251 4.932 4.640 0.069 0.000 0.251 465 D C 0.146 176.382 176.300 -0.106 0.000 1.282 465 D CA -0.410 53.588 54.000 -0.003 0.000 0.927 465 D CB 0.061 40.866 40.800 0.008 0.000 1.267 465 D HN 0.485 nan 8.370 nan 0.000 0.531 466 R N 0.033 120.416 120.500 -0.194 0.000 2.319 466 R HA 0.133 4.514 4.340 0.069 0.000 0.204 466 R C -0.149 175.870 176.300 -0.468 0.000 0.954 466 R CA 0.550 56.405 56.100 -0.408 0.000 1.066 466 R CB -0.436 29.582 30.300 -0.469 0.000 0.991 466 R HN 0.298 nan 8.270 nan 0.000 0.486 467 H N -0.992 118.018 119.070 -0.100 0.000 2.750 467 H HA 0.169 4.766 4.556 0.069 0.000 0.263 467 H C -0.009 175.267 175.328 -0.086 0.000 0.964 467 H CA -0.422 55.578 56.048 -0.080 0.000 1.205 467 H CB 0.268 30.006 29.762 -0.040 0.000 1.454 467 H HN 0.121 nan 8.280 nan 0.000 0.503 468 N N 3.321 122.019 118.700 -0.005 0.000 2.417 468 N HA -0.050 4.731 4.740 0.069 0.000 0.272 468 N C -1.726 173.736 175.510 -0.080 0.000 1.304 468 N CA -1.022 52.005 53.050 -0.038 0.000 0.906 468 N CB 0.944 39.399 38.487 -0.052 0.000 1.135 468 N HN 0.224 nan 8.380 nan 0.000 0.483 469 P HA 0.018 nan 4.420 nan 0.000 0.235 469 P C 0.498 177.728 177.300 -0.116 0.000 1.177 469 P CA 0.778 63.828 63.100 -0.083 0.000 0.785 469 P CB 0.595 32.263 31.700 -0.055 0.000 0.885 470 E N -0.137 119.993 120.200 -0.116 0.000 2.046 470 E HA -0.081 4.310 4.350 0.069 0.000 0.190 470 E C 1.926 178.441 176.600 -0.142 0.000 0.982 470 E CA 1.465 57.771 56.400 -0.157 0.000 0.800 470 E CB -0.659 28.970 29.700 -0.119 0.000 0.756 470 E HN 0.140 nan 8.360 nan 0.000 0.449 471 T N 0.874 115.364 114.554 -0.106 0.000 2.699 471 T HA -0.190 4.202 4.350 0.069 0.000 0.268 471 T C 1.780 176.416 174.700 -0.106 0.000 1.036 471 T CA 1.132 63.173 62.100 -0.097 0.000 1.147 471 T CB -0.167 68.635 68.868 -0.109 0.000 0.862 471 T HN 0.101 nan 8.240 nan 0.000 0.446 472 R N 0.644 121.061 120.500 -0.138 0.000 2.105 472 R HA -0.119 4.262 4.340 0.069 0.000 0.239 472 R C 2.687 178.993 176.300 0.010 0.000 1.135 472 R CA 1.592 57.619 56.100 -0.123 0.000 0.967 472 R CB -0.164 30.035 30.300 -0.168 0.000 0.861 472 R HN 0.530 nan 8.270 nan 0.000 0.442 473 R N 0.529 120.983 120.500 -0.077 0.000 2.093 473 R HA -0.038 4.343 4.340 0.069 0.000 0.224 473 R C 1.727 177.993 176.300 -0.057 0.000 1.101 473 R CA 1.174 57.207 56.100 -0.111 0.000 0.979 473 R CB -0.172 29.936 30.300 -0.320 0.000 0.877 473 R HN -0.013 nan 8.270 nan 0.000 0.441 474 K N 0.837 121.203 120.400 -0.055 0.000 1.991 474 K HA -0.135 4.227 4.320 0.069 0.000 0.212 474 K C 2.328 178.990 176.600 0.103 0.000 1.049 474 K CA 2.531 58.832 56.287 0.022 0.000 0.932 474 K CB -0.441 32.068 32.500 0.016 0.000 0.717 474 K HN 0.482 nan 8.250 nan 0.000 0.441 475 T N 0.122 114.751 114.554 0.124 0.000 2.915 475 T HA -0.069 4.322 4.350 0.069 0.000 0.269 475 T C 1.798 176.670 174.700 0.287 0.000 1.071 475 T CA 0.669 62.916 62.100 0.244 0.000 1.132 475 T CB -0.177 68.828 68.868 0.229 0.000 0.878 475 T HN 0.069 nan 8.240 nan 0.000 0.479 476 L N 0.207 121.579 121.223 0.250 0.000 2.044 476 L HA 0.163 4.544 4.340 0.069 0.000 0.205 476 L C 2.555 179.526 176.870 0.168 0.000 1.075 476 L CA 1.492 56.432 54.840 0.168 0.000 0.747 476 L CB -0.608 41.528 42.059 0.128 0.000 0.903 476 L HN 0.373 nan 8.230 nan 0.000 0.435 477 L N 0.027 121.355 121.223 0.175 0.000 2.046 477 L HA -0.186 4.195 4.340 0.069 0.000 0.208 477 L C 2.596 179.588 176.870 0.202 0.000 1.077 477 L CA 1.629 56.605 54.840 0.228 0.000 0.747 477 L CB -0.326 41.852 42.059 0.199 0.000 0.896 477 L HN 0.258 nan 8.230 nan 0.000 0.432 478 A N -0.253 122.675 122.820 0.180 0.000 1.972 478 A HA -0.215 4.146 4.320 0.069 0.000 0.219 478 A C 2.159 179.826 177.584 0.137 0.000 1.169 478 A CA 1.735 53.894 52.037 0.203 0.000 0.635 478 A CB -0.841 18.324 19.000 0.274 0.000 0.810 478 A HN 0.548 nan 8.150 nan 0.000 0.446 479 L N -1.785 119.374 121.223 -0.107 0.000 2.017 479 L HA -0.080 4.302 4.340 0.069 0.000 0.208 479 L C 2.149 178.754 176.870 -0.441 0.000 1.073 479 L CA 2.316 56.814 54.840 -0.570 0.000 0.745 479 L CB -0.772 40.764 42.059 -0.871 0.000 0.894 479 L HN 0.334 nan 8.230 nan 0.000 0.432 480 F N 0.215 119.810 119.950 -0.591 0.000 2.146 480 F HA -0.151 4.408 4.527 0.053 0.000 0.298 480 F C 2.317 177.995 175.800 -0.203 0.000 1.096 480 F CA 1.995 59.553 58.000 -0.736 0.000 1.275 480 F CB -0.621 37.820 39.000 -0.931 0.000 1.008 480 F HN 0.096 nan 8.300 nan 0.000 0.480 481 T N -0.135 114.550 114.554 0.218 0.000 2.708 481 T HA -0.191 4.200 4.350 0.069 0.000 0.266 481 T C 1.456 176.319 174.700 0.271 0.000 1.037 481 T CA 1.706 64.054 62.100 0.414 0.000 1.146 481 T CB -0.412 68.598 68.868 0.236 0.000 0.865 481 T HN 0.187 nan 8.240 nan 0.000 0.435 482 D N 0.048 120.517 120.400 0.114 0.000 2.104 482 D HA -0.116 4.565 4.640 0.069 0.000 0.194 482 D C 1.910 178.083 176.300 -0.211 0.000 0.994 482 D CA 1.070 55.114 54.000 0.075 0.000 0.830 482 D CB -0.443 40.529 40.800 0.286 0.000 0.959 482 D HN 0.458 nan 8.370 nan 0.000 0.452 483 H N 0.343 119.062 119.070 -0.585 0.000 2.307 483 H HA 0.000 4.594 4.556 0.063 0.000 0.303 483 H C 1.709 176.562 175.328 -0.792 0.000 1.073 483 H CA 1.075 56.576 56.048 -0.911 0.000 1.338 483 H CB 0.478 29.643 29.762 -0.996 0.000 1.389 483 H HN 0.021 nan 8.280 nan 0.000 0.503 484 Q N -0.607 118.636 119.800 -0.928 0.000 2.297 484 Q HA -0.099 4.282 4.340 0.069 0.000 0.204 484 Q C 1.210 176.534 176.000 -1.126 0.000 0.962 484 Q CA 1.038 56.024 55.803 -1.362 0.000 0.879 484 Q CB 0.083 27.599 28.738 -2.037 0.000 0.947 484 Q HN 0.613 nan 8.270 nan 0.000 0.462 485 W N -2.119 119.003 121.300 -0.297 0.000 4.654 485 W HA 0.146 4.821 4.660 0.025 0.000 0.196 485 W C 1.944 178.433 176.519 -0.051 0.000 0.957 485 W CA -0.210 57.063 57.345 -0.120 0.000 2.022 485 W CB -0.592 28.849 29.460 -0.032 0.000 0.791 485 W HN -0.275 nan 8.180 nan 0.000 0.953 486 V N 1.778 121.845 119.914 0.254 0.000 2.295 486 V HA -0.273 3.888 4.120 0.069 0.000 0.246 486 V C 2.335 178.527 176.094 0.164 0.000 1.049 486 V CA 2.694 65.146 62.300 0.253 0.000 1.024 486 V CB -1.679 30.284 31.823 0.233 0.000 0.648 486 V HN 0.240 nan 8.190 nan 0.000 0.447 487 A N 0.495 123.338 122.820 0.038 0.000 1.898 487 A HA -0.047 4.314 4.320 0.069 0.000 0.216 487 A C 0.579 178.166 177.584 0.006 0.000 1.181 487 A CA 1.746 53.803 52.037 0.033 0.000 0.620 487 A CB -1.780 17.221 19.000 0.003 0.000 0.819 487 A HN 0.564 nan 8.150 nan 0.000 0.442 488 P HA -0.082 nan 4.420 nan 0.000 0.217 488 P C 1.722 179.042 177.300 0.034 0.000 1.150 488 P CA 1.856 64.918 63.100 -0.064 0.000 0.832 488 P CB -0.116 31.487 31.700 -0.161 0.000 0.787 489 A N -0.366 122.515 122.820 0.102 0.000 1.858 489 A HA -0.164 4.197 4.320 0.069 0.000 0.216 489 A C 2.377 180.125 177.584 0.274 0.000 1.190 489 A CA 1.993 54.147 52.037 0.196 0.000 0.617 489 A CB -1.753 17.400 19.000 0.255 0.000 0.827 489 A HN 0.020 nan 8.150 nan 0.000 0.443 490 V N -0.019 120.029 119.914 0.223 0.000 2.287 490 V HA -0.289 3.873 4.120 0.069 0.000 0.248 490 V C 3.085 179.235 176.094 0.094 0.000 1.053 490 V CA 2.090 64.433 62.300 0.072 0.000 1.027 490 V CB -1.337 30.516 31.823 0.050 0.000 0.646 490 V HN 0.636 nan 8.190 nan 0.000 0.447 491 A N -0.501 122.379 122.820 0.099 0.000 1.908 491 A HA -0.267 4.095 4.320 0.069 0.000 0.218 491 A C 2.391 180.041 177.584 0.108 0.000 1.181 491 A CA 2.686 54.782 52.037 0.099 0.000 0.627 491 A CB -1.007 18.036 19.000 0.071 0.000 0.818 491 A HN 0.521 nan 8.150 nan 0.000 0.445 492 T N 0.064 114.677 114.554 0.099 0.000 2.737 492 T HA 0.009 4.400 4.350 0.069 0.000 0.265 492 T C 2.265 177.067 174.700 0.170 0.000 1.038 492 T CA 1.618 63.791 62.100 0.122 0.000 1.144 492 T CB -0.475 68.448 68.868 0.090 0.000 0.866 492 T HN 0.615 nan 8.240 nan 0.000 0.434 493 A N 1.937 124.804 122.820 0.079 0.000 1.877 493 A HA -0.171 4.190 4.320 0.069 0.000 0.216 493 A C 2.107 179.756 177.584 0.108 0.000 1.186 493 A CA 1.896 53.894 52.037 -0.064 0.000 0.620 493 A CB -0.776 17.903 19.000 -0.535 0.000 0.822 493 A HN 0.344 nan 8.150 nan 0.000 0.443 494 D N -0.158 120.359 120.400 0.195 0.000 2.149 494 D HA -0.118 4.564 4.640 0.069 0.000 0.198 494 D C 1.867 178.313 176.300 0.244 0.000 0.990 494 D CA 1.088 55.256 54.000 0.280 0.000 0.839 494 D CB -0.230 40.699 40.800 0.215 0.000 0.948 494 D HN 0.466 nan 8.370 nan 0.000 0.460 495 L N -0.776 120.592 121.223 0.242 0.000 2.162 495 L HA -0.062 4.319 4.340 0.069 0.000 0.205 495 L C 2.198 179.336 176.870 0.447 0.000 1.086 495 L CA 0.673 55.706 54.840 0.322 0.000 0.778 495 L CB -0.192 42.022 42.059 0.258 0.000 0.928 495 L HN 0.074 nan 8.230 nan 0.000 0.446 496 H N -0.533 118.703 119.070 0.275 0.000 2.299 496 H HA -0.157 4.440 4.556 0.068 0.000 0.302 496 H C 2.592 178.132 175.328 0.353 0.000 1.078 496 H CA 2.046 58.283 56.048 0.316 0.000 1.323 496 H CB 0.020 29.844 29.762 0.103 0.000 1.381 496 H HN 0.322 nan 8.280 nan 0.000 0.498 497 S N 0.318 116.243 115.700 0.374 0.000 2.368 497 S HA -0.247 4.264 4.470 0.069 0.000 0.225 497 S C 2.076 176.794 174.600 0.197 0.000 1.030 497 S CA 1.515 59.880 58.200 0.274 0.000 0.999 497 S CB -0.483 62.895 63.200 0.298 0.000 0.844 497 S HN 0.474 nan 8.310 nan 0.000 0.459 498 N N 1.232 120.029 118.700 0.160 0.000 2.137 498 N HA -0.090 4.692 4.740 0.069 0.000 0.190 498 N C 0.788 176.184 175.510 -0.190 0.000 1.017 498 N CA 1.514 54.532 53.050 -0.053 0.000 0.859 498 N CB -0.617 37.774 38.487 -0.161 0.000 1.002 498 N HN 0.561 nan 8.380 nan 0.000 0.428 499 F N -1.099 118.947 119.950 0.160 0.000 2.645 499 F HA 0.357 4.925 4.527 0.068 0.000 0.300 499 F C 1.724 177.583 175.800 0.098 0.000 1.115 499 F CA 0.285 58.337 58.000 0.087 0.000 1.355 499 F CB 0.465 39.459 39.000 -0.010 0.000 1.026 499 F HN 0.190 nan 8.300 nan 0.000 0.536 500 G N -0.554 108.381 108.800 0.226 0.000 2.213 500 G HA2 -0.257 3.744 3.960 0.069 0.000 0.226 500 G HA3 -0.257 3.744 3.960 0.069 0.000 0.226 500 G C 0.291 175.306 174.900 0.192 0.000 0.992 500 G CA -0.064 45.137 45.100 0.168 0.000 0.632 500 G HN 0.193 nan 8.290 nan 0.000 0.511 501 S N 3.007 118.879 115.700 0.288 0.000 2.481 501 S HA 0.480 4.991 4.470 0.069 0.000 0.276 501 S C -2.145 172.582 174.600 0.212 0.000 1.247 501 S CA -0.633 57.740 58.200 0.290 0.000 1.053 501 S CB 1.339 64.814 63.200 0.457 0.000 0.925 501 S HN 0.229 nan 8.310 nan 0.000 0.491 502 P HA 0.046 nan 4.420 nan 0.000 0.256 502 P C -0.685 176.672 177.300 0.095 0.000 1.173 502 P CA 0.425 63.589 63.100 0.107 0.000 0.768 502 P CB 0.076 31.876 31.700 0.167 0.000 0.758 503 T N 3.770 118.279 114.554 -0.076 0.000 2.861 503 T HA 0.508 4.900 4.350 0.069 0.000 0.287 503 T C -0.870 173.635 174.700 -0.324 0.000 1.003 503 T CA -0.306 61.754 62.100 -0.066 0.000 0.977 503 T CB 0.741 69.645 68.868 0.060 0.000 0.996 503 T HN 0.098 nan 8.240 nan 0.000 0.448 504 Y N 1.343 121.619 120.300 -0.041 0.000 2.391 504 Y HA 0.665 5.256 4.550 0.068 0.000 0.341 504 Y C -0.749 175.259 175.900 0.180 0.000 0.965 504 Y CA -1.268 56.801 58.100 -0.052 0.000 1.067 504 Y CB 1.754 39.746 38.460 -0.781 0.000 1.199 504 Y HN 0.695 nan 8.280 nan 0.000 0.450 505 F N 5.061 125.346 119.950 0.558 0.000 2.529 505 F HA 0.578 5.146 4.527 0.068 0.000 0.320 505 F C -1.237 174.913 175.800 0.582 0.000 1.118 505 F CA -1.135 57.082 58.000 0.362 0.000 0.915 505 F CB 1.015 40.086 39.000 0.118 0.000 1.161 505 F HN 0.476 nan 8.300 nan 0.000 0.445 506 Y N 3.170 123.557 120.300 0.145 0.000 2.598 506 Y HA 0.913 5.503 4.550 0.067 0.000 0.340 506 Y C -1.530 174.351 175.900 -0.033 0.000 1.038 506 Y CA -1.727 56.423 58.100 0.082 0.000 1.100 506 Y CB 1.358 39.818 38.460 -0.000 0.000 1.281 506 Y HN 0.695 nan 8.280 nan 0.000 0.488 507 A N 2.431 125.352 122.820 0.167 0.000 2.357 507 A HA 0.588 4.949 4.320 0.069 0.000 0.295 507 A C -2.094 175.671 177.584 0.302 0.000 1.121 507 A CA -0.505 51.548 52.037 0.026 0.000 0.742 507 A CB 0.220 18.958 19.000 -0.436 0.000 1.181 507 A HN 0.724 nan 8.150 nan 0.000 0.454 508 F N 2.541 122.670 119.950 0.299 0.000 2.421 508 F HA 0.483 5.053 4.527 0.072 0.000 0.358 508 F C -0.093 175.811 175.800 0.173 0.000 1.115 508 F CA 0.427 58.548 58.000 0.203 0.000 1.160 508 F CB 0.822 39.927 39.000 0.175 0.000 1.123 508 F HN 0.640 nan 8.300 nan 0.000 0.508 509 Y N 3.752 123.900 120.300 -0.253 0.000 2.682 509 Y HA 0.203 4.796 4.550 0.073 0.000 0.251 509 Y C -0.389 175.540 175.900 0.050 0.000 1.172 509 Y CA -0.467 57.574 58.100 -0.100 0.000 1.186 509 Y CB -0.290 38.000 38.460 -0.284 0.000 1.216 509 Y HN 0.603 nan 8.280 nan 0.000 0.540 510 H N -0.195 118.873 119.070 -0.003 0.000 2.961 510 H HA 0.563 5.161 4.556 0.071 0.000 0.371 510 H C -0.957 174.549 175.328 0.298 0.000 1.190 510 H CA -0.854 55.253 56.048 0.098 0.000 1.138 510 H CB 1.292 31.012 29.762 -0.071 0.000 1.816 510 H HN 0.273 nan 8.280 nan 0.000 0.551 511 H N -0.095 118.598 119.070 -0.628 0.000 2.948 511 H HA 0.436 5.035 4.556 0.072 0.000 0.315 511 H C -1.401 173.766 175.328 -0.268 0.000 1.360 511 H CA -1.178 54.753 56.048 -0.195 0.000 1.125 511 H CB 0.746 30.498 29.762 -0.016 0.000 1.844 511 H HN 0.649 nan 8.280 nan 0.000 0.529 512 c N 3.260 121.849 118.600 -0.019 0.000 2.239 512 c HA 0.288 4.899 4.570 0.069 0.000 0.325 512 c C -0.011 173.936 174.090 -0.240 0.000 1.231 512 c CA -0.300 55.925 56.329 -0.173 0.000 1.652 512 c CB -0.806 41.603 42.510 -0.167 0.000 2.284 512 c HN 0.779 nan 8.230 nan 0.000 0.499 513 Q N 4.883 124.461 119.800 -0.370 0.000 2.304 513 Q HA 0.484 4.865 4.340 0.069 0.000 0.260 513 Q C -0.133 175.777 176.000 -0.150 0.000 0.965 513 Q CA 0.117 55.780 55.803 -0.233 0.000 0.898 513 Q CB 0.767 29.355 28.738 -0.251 0.000 1.196 513 Q HN 0.673 nan 8.270 nan 0.000 0.402 514 T N 1.217 115.716 114.554 -0.091 0.000 2.923 514 T HA 0.106 4.497 4.350 0.069 0.000 0.281 514 T C 0.542 175.195 174.700 -0.079 0.000 0.995 514 T CA -0.451 61.595 62.100 -0.090 0.000 0.985 514 T CB 0.859 69.692 68.868 -0.058 0.000 1.114 514 T HN 0.770 nan 8.240 nan 0.000 0.548 515 D N -0.011 120.347 120.400 -0.070 0.000 2.347 515 D HA -0.098 4.584 4.640 0.069 0.000 0.215 515 D C 1.454 177.719 176.300 -0.058 0.000 0.976 515 D CA 0.547 54.511 54.000 -0.061 0.000 0.884 515 D CB -0.029 40.741 40.800 -0.050 0.000 0.915 515 D HN 0.250 nan 8.370 nan 0.000 0.526 516 Q N 0.441 120.210 119.800 -0.052 0.000 2.369 516 Q HA 0.053 4.434 4.340 0.069 0.000 0.206 516 Q C 0.683 176.645 176.000 -0.062 0.000 0.963 516 Q CA 0.341 56.117 55.803 -0.044 0.000 0.894 516 Q CB 0.513 29.236 28.738 -0.026 0.000 0.965 516 Q HN 0.428 nan 8.270 nan 0.000 0.475 517 V N -1.478 118.384 119.914 -0.086 0.000 2.604 517 V HA 0.525 4.686 4.120 0.069 0.000 0.305 517 V C -2.605 173.346 176.094 -0.237 0.000 1.043 517 V CA -2.952 59.259 62.300 -0.147 0.000 0.888 517 V CB 1.302 33.059 31.823 -0.110 0.000 0.995 517 V HN -0.171 nan 8.190 nan 0.000 0.429 518 P HA 0.103 nan 4.420 nan 0.000 0.264 518 P C 0.815 177.751 177.300 -0.607 0.000 1.179 518 P CA 0.664 63.383 63.100 -0.634 0.000 0.763 518 P CB 0.759 31.652 31.700 -1.345 0.000 0.806 519 A N 3.851 126.450 122.820 -0.368 0.000 2.119 519 A HA -0.088 4.273 4.320 0.069 0.000 0.217 519 A C 1.514 179.066 177.584 -0.053 0.000 1.153 519 A CA 0.557 52.504 52.037 -0.150 0.000 0.692 519 A CB -0.995 17.986 19.000 -0.031 0.000 0.799 519 A HN 0.832 nan 8.150 nan 0.000 0.458 520 W N -1.480 119.852 121.300 0.053 0.000 3.139 520 W HA 0.557 5.253 4.660 0.059 0.000 0.260 520 W C 0.410 176.968 176.519 0.064 0.000 1.312 520 W CA -0.091 57.287 57.345 0.055 0.000 1.606 520 W CB -0.652 28.833 29.460 0.041 0.000 1.118 520 W HN 0.336 nan 8.180 nan 0.000 0.675 521 A N 2.877 125.586 122.820 -0.186 0.000 2.409 521 A HA 0.196 4.557 4.320 0.069 0.000 0.262 521 A C 0.253 177.854 177.584 0.029 0.000 1.113 521 A CA -0.090 51.874 52.037 -0.123 0.000 0.790 521 A CB 0.378 19.100 19.000 -0.464 0.000 1.046 521 A HN 0.108 nan 8.150 nan 0.000 0.496 522 D N 1.087 121.490 120.400 0.005 0.000 2.440 522 D HA 0.401 5.082 4.640 0.069 0.000 0.269 522 D C 0.724 176.670 176.300 -0.590 0.000 1.249 522 D CA 0.324 54.238 54.000 -0.143 0.000 1.055 522 D CB 0.446 41.194 40.800 -0.086 0.000 1.104 522 D HN 0.687 nan 8.370 nan 0.000 0.561 523 A N -0.018 122.451 122.820 -0.585 0.000 2.537 523 A HA 0.402 4.764 4.320 0.069 0.000 0.260 523 A C 0.392 177.787 177.584 -0.317 0.000 1.082 523 A CA 0.146 51.863 52.037 -0.534 0.000 0.765 523 A CB -0.546 18.375 19.000 -0.132 0.000 1.019 523 A HN 0.511 nan 8.150 nan 0.000 0.507 524 A N 2.367 125.020 122.820 -0.279 0.000 2.301 524 A HA 0.538 4.899 4.320 0.069 0.000 0.287 524 A C 0.320 177.832 177.584 -0.119 0.000 1.274 524 A CA -0.370 51.577 52.037 -0.149 0.000 0.865 524 A CB -0.158 18.789 19.000 -0.088 0.000 1.324 524 A HN 1.053 nan 8.150 nan 0.000 0.508 525 H N -1.160 117.772 119.070 -0.229 0.000 2.848 525 H HA 0.407 5.002 4.556 0.066 0.000 0.317 525 H C 1.193 176.467 175.328 -0.090 0.000 1.046 525 H CA 1.149 57.021 56.048 -0.294 0.000 1.470 525 H CB 0.329 29.872 29.762 -0.365 0.000 1.483 525 H HN 1.373 nan 8.280 nan 0.000 0.548 526 G N 4.341 112.884 108.800 -0.428 0.000 2.175 526 G HA2 -0.275 3.727 3.960 0.069 0.000 0.244 526 G HA3 -0.275 3.727 3.960 0.069 0.000 0.244 526 G C 0.956 175.988 174.900 0.220 0.000 0.982 526 G CA 0.377 45.440 45.100 -0.062 0.000 0.641 526 G HN 0.630 nan 8.290 nan 0.000 0.527 527 D N 0.757 121.181 120.400 0.039 0.000 2.323 527 D HA 0.163 4.844 4.640 0.069 0.000 0.209 527 D C 2.204 178.446 176.300 -0.097 0.000 0.973 527 D CA 1.287 55.323 54.000 0.061 0.000 0.874 527 D CB 0.015 40.839 40.800 0.038 0.000 0.930 527 D HN 0.660 nan 8.370 nan 0.000 0.521 528 E N -0.072 119.903 120.200 -0.374 0.000 2.274 528 E HA -0.056 4.335 4.350 0.069 0.000 0.194 528 E C 2.054 178.453 176.600 -0.335 0.000 0.996 528 E CA 0.177 56.121 56.400 -0.761 0.000 0.840 528 E CB -0.524 28.652 29.700 -0.873 0.000 0.772 528 E HN 0.052 nan 8.360 nan 0.000 0.491 529 V N 2.223 122.018 119.914 -0.198 0.000 2.255 529 V HA -0.200 3.961 4.120 0.069 0.000 0.247 529 V C -0.625 175.184 176.094 -0.474 0.000 1.051 529 V CA 2.331 64.497 62.300 -0.224 0.000 1.018 529 V CB -1.365 30.413 31.823 -0.076 0.000 0.641 529 V HN 0.292 nan 8.190 nan 0.000 0.445 530 P HA -0.179 nan 4.420 nan 0.000 0.218 530 P C 1.242 178.120 177.300 -0.702 0.000 1.148 530 P CA 1.734 64.224 63.100 -1.016 0.000 0.822 530 P CB -0.133 30.933 31.700 -1.057 0.000 0.784 531 Y N -0.137 119.897 120.300 -0.443 0.000 2.163 531 Y HA -0.124 4.466 4.550 0.066 0.000 0.288 531 Y C 2.681 178.322 175.900 -0.431 0.000 1.136 531 Y CA 0.901 58.790 58.100 -0.352 0.000 1.147 531 Y CB -1.482 36.890 38.460 -0.148 0.000 0.987 531 Y HN -0.274 nan 8.280 nan 0.000 0.509 532 V N -0.479 119.245 119.914 -0.317 0.000 2.407 532 V HA -0.244 3.917 4.120 0.069 0.000 0.248 532 V C 1.820 177.732 176.094 -0.304 0.000 1.055 532 V CA 1.332 63.377 62.300 -0.426 0.000 1.049 532 V CB -0.551 31.046 31.823 -0.378 0.000 0.662 532 V HN 0.275 nan 8.190 nan 0.000 0.455 533 L N 0.622 121.648 121.223 -0.328 0.000 2.599 533 L HA 0.336 4.717 4.340 0.069 0.000 0.230 533 L C 1.657 178.324 176.870 -0.339 0.000 1.141 533 L CA 1.109 55.765 54.840 -0.308 0.000 0.877 533 L CB -1.119 40.722 42.059 -0.363 0.000 1.009 533 L HN 0.472 nan 8.230 nan 0.000 0.447 534 G N -0.030 108.534 108.800 -0.394 0.000 2.338 534 G HA2 -0.285 3.716 3.960 0.069 0.000 0.296 534 G HA3 -0.285 3.716 3.960 0.069 0.000 0.296 534 G C 1.083 175.710 174.900 -0.454 0.000 1.040 534 G CA 0.473 45.324 45.100 -0.415 0.000 1.004 534 G HN 0.229 nan 8.290 nan 0.000 0.509 535 I N 0.028 120.225 120.570 -0.621 0.000 2.500 535 I HA -0.034 4.177 4.170 0.069 0.000 0.252 535 I C 0.098 175.701 176.117 -0.857 0.000 1.142 535 I CA 0.917 61.811 61.300 -0.675 0.000 1.451 535 I CB -1.639 35.902 38.000 -0.764 0.000 1.093 535 I HN 0.138 nan 8.210 nan 0.000 0.430 536 P HA -0.103 nan 4.420 nan 0.000 0.222 536 P C 1.845 178.896 177.300 -0.415 0.000 1.147 536 P CA 1.008 63.559 63.100 -0.914 0.000 0.790 536 P CB -0.029 31.247 31.700 -0.708 0.000 0.780 537 M N -1.647 117.739 119.600 -0.357 0.000 2.358 537 M HA -0.057 4.464 4.480 0.069 0.000 0.264 537 M C 1.657 177.868 176.300 -0.148 0.000 1.064 537 M CA 1.666 56.843 55.300 -0.206 0.000 1.093 537 M CB -0.660 31.828 32.600 -0.187 0.000 1.401 537 M HN -0.112 nan 8.290 nan 0.000 0.440 538 I N -1.735 118.727 120.570 -0.181 0.000 3.172 538 I HA 0.277 4.488 4.170 0.069 0.000 0.278 538 I C 1.114 177.190 176.117 -0.068 0.000 1.174 538 I CA 0.329 61.565 61.300 -0.106 0.000 1.445 538 I CB 0.004 37.944 38.000 -0.100 0.000 1.175 538 I HN 0.356 nan 8.210 nan 0.000 0.447 539 G N 1.551 110.295 108.800 -0.094 0.000 2.661 539 G HA2 -0.113 3.888 3.960 0.069 0.000 0.685 539 G HA3 -0.113 3.888 3.960 0.069 0.000 0.685 539 G C -2.800 172.192 174.900 0.153 0.000 1.298 539 G CA -1.181 43.959 45.100 0.068 0.000 0.855 539 G HN -0.037 nan 8.290 nan 0.000 0.560 540 P HA 0.218 nan 4.420 nan 0.000 0.261 540 P C 0.717 178.099 177.300 0.137 0.000 1.165 540 P CA 1.180 64.428 63.100 0.247 0.000 0.759 540 P CB 0.252 32.008 31.700 0.095 0.000 0.772 541 T N -1.194 113.448 114.554 0.147 0.000 2.919 541 T HA 0.291 4.683 4.350 0.069 0.000 0.282 541 T C 1.164 175.887 174.700 0.038 0.000 1.020 541 T CA -0.730 61.415 62.100 0.075 0.000 0.994 541 T CB 1.264 70.177 68.868 0.075 0.000 1.180 541 T HN 0.289 nan 8.240 nan 0.000 0.566 542 E N -0.499 119.708 120.200 0.011 0.000 2.118 542 E HA -0.103 4.288 4.350 0.069 0.000 0.195 542 E C 1.746 178.300 176.600 -0.078 0.000 0.992 542 E CA 0.781 57.171 56.400 -0.016 0.000 0.804 542 E CB -0.175 29.528 29.700 0.004 0.000 0.741 542 E HN 0.419 nan 8.360 nan 0.000 0.458 543 L N -0.243 120.890 121.223 -0.149 0.000 2.049 543 L HA -0.014 4.367 4.340 0.069 0.000 0.203 543 L C 0.379 176.885 176.870 -0.607 0.000 1.074 543 L CA 1.531 56.106 54.840 -0.443 0.000 0.749 543 L CB 0.098 41.746 42.059 -0.686 0.000 0.907 543 L HN -0.085 nan 8.230 nan 0.000 0.439 544 F N 1.030 120.916 119.950 -0.106 0.000 2.307 544 F HA 0.387 4.953 4.527 0.066 0.000 0.369 544 F C -1.685 174.122 175.800 0.012 0.000 1.076 544 F CA -1.653 56.318 58.000 -0.048 0.000 1.149 544 F CB 0.612 39.592 39.000 -0.032 0.000 1.410 544 F HN 0.036 nan 8.300 nan 0.000 0.481 545 P HA 0.047 nan 4.420 nan 0.000 0.261 545 P C 0.482 177.712 177.300 -0.117 0.000 1.352 545 P CA 0.060 63.156 63.100 -0.007 0.000 0.891 545 P CB -0.069 31.611 31.700 -0.033 0.000 1.383 546 c N 1.344 119.773 118.600 -0.285 0.000 2.703 546 c HA 0.156 4.768 4.570 0.069 0.000 0.411 546 c C 0.885 174.584 174.090 -0.651 0.000 1.290 546 c CA 0.042 56.033 56.329 -0.562 0.000 2.054 546 c CB -1.283 40.710 42.510 -0.863 0.000 2.732 546 c HN 0.209 nan 8.230 nan 0.000 0.650 547 N N 4.079 122.526 118.700 -0.421 0.000 2.739 547 N HA 0.257 5.038 4.740 0.069 0.000 0.266 547 N C -0.866 174.497 175.510 -0.245 0.000 1.168 547 N CA 0.075 52.979 53.050 -0.244 0.000 1.055 547 N CB -0.281 38.130 38.487 -0.128 0.000 1.393 547 N HN 0.497 nan 8.380 nan 0.000 0.514 548 F N 0.675 120.593 119.950 -0.054 0.000 2.590 548 F HA -0.028 4.539 4.527 0.067 0.000 0.389 548 F C 1.808 177.592 175.800 -0.026 0.000 1.049 548 F CA -0.390 57.574 58.000 -0.061 0.000 1.199 548 F CB 0.106 39.033 39.000 -0.122 0.000 1.058 548 F HN 0.293 nan 8.300 nan 0.000 0.556 549 S N 3.824 119.616 115.700 0.153 0.000 2.618 549 S HA 0.116 4.627 4.470 0.069 0.000 0.254 549 S C 1.291 175.952 174.600 0.102 0.000 1.284 549 S CA -0.078 58.186 58.200 0.105 0.000 0.975 549 S CB 0.603 63.865 63.200 0.103 0.000 1.022 549 S HN 0.715 nan 8.310 nan 0.000 0.571 550 K N 0.396 120.838 120.400 0.070 0.000 2.137 550 K HA 0.088 4.449 4.320 0.069 0.000 0.202 550 K C 1.727 178.359 176.600 0.054 0.000 1.052 550 K CA 0.830 57.147 56.287 0.050 0.000 0.961 550 K CB -0.514 32.007 32.500 0.034 0.000 0.741 550 K HN 0.400 nan 8.250 nan 0.000 0.452 551 N N 1.632 120.369 118.700 0.062 0.000 2.244 551 N HA -0.129 4.652 4.740 0.069 0.000 0.183 551 N C 1.053 176.626 175.510 0.104 0.000 1.016 551 N CA 1.304 54.382 53.050 0.047 0.000 0.866 551 N CB -0.196 38.288 38.487 -0.006 0.000 0.980 551 N HN 0.289 nan 8.380 nan 0.000 0.430 552 D N 0.754 121.269 120.400 0.192 0.000 2.117 552 D HA -0.078 4.604 4.640 0.069 0.000 0.197 552 D C 2.129 178.489 176.300 0.100 0.000 0.987 552 D CA 0.578 54.754 54.000 0.293 0.000 0.829 552 D CB -0.213 40.780 40.800 0.322 0.000 0.961 552 D HN 0.028 nan 8.370 nan 0.000 0.460 553 V N 1.865 121.788 119.914 0.015 0.000 2.295 553 V HA -0.308 3.853 4.120 0.069 0.000 0.246 553 V C 2.570 178.639 176.094 -0.041 0.000 1.049 553 V CA 2.107 64.369 62.300 -0.064 0.000 1.024 553 V CB -0.674 31.121 31.823 -0.047 0.000 0.648 553 V HN 0.254 nan 8.190 nan 0.000 0.447 554 M N -0.238 119.367 119.600 0.009 0.000 2.086 554 M HA -0.131 4.390 4.480 0.069 0.000 0.261 554 M C 2.113 178.418 176.300 0.007 0.000 1.067 554 M CA 2.076 57.382 55.300 0.011 0.000 1.116 554 M CB -0.993 31.631 32.600 0.039 0.000 1.348 554 M HN 0.153 nan 8.290 nan 0.000 0.407 555 L N -0.258 121.003 121.223 0.063 0.000 2.012 555 L HA -0.216 4.166 4.340 0.069 0.000 0.210 555 L C 2.778 179.685 176.870 0.061 0.000 1.073 555 L CA 2.154 57.041 54.840 0.078 0.000 0.748 555 L CB -0.673 41.474 42.059 0.146 0.000 0.891 555 L HN 0.674 nan 8.230 nan 0.000 0.431 556 S N -0.671 115.091 115.700 0.103 0.000 2.365 556 S HA -0.245 4.266 4.470 0.069 0.000 0.225 556 S C 2.029 176.464 174.600 -0.274 0.000 1.039 556 S CA 1.481 59.639 58.200 -0.069 0.000 1.033 556 S CB -0.159 62.903 63.200 -0.231 0.000 0.887 556 S HN 0.561 nan 8.310 nan 0.000 0.447 557 A N 0.455 123.098 122.820 -0.295 0.000 1.933 557 A HA 0.002 4.364 4.320 0.069 0.000 0.218 557 A C 2.306 179.725 177.584 -0.275 0.000 1.175 557 A CA 1.703 53.492 52.037 -0.412 0.000 0.628 557 A CB -0.839 18.055 19.000 -0.177 0.000 0.814 557 A HN 0.459 nan 8.150 nan 0.000 0.444 558 V N -0.553 119.226 119.914 -0.226 0.000 2.270 558 V HA -0.213 3.948 4.120 0.069 0.000 0.245 558 V C 2.571 178.540 176.094 -0.209 0.000 1.043 558 V CA 1.922 64.023 62.300 -0.332 0.000 1.014 558 V CB -0.864 30.801 31.823 -0.263 0.000 0.645 558 V HN 0.360 nan 8.190 nan 0.000 0.447 559 V N -0.308 119.556 119.914 -0.082 0.000 2.255 559 V HA -0.367 3.794 4.120 0.069 0.000 0.247 559 V C 2.445 178.474 176.094 -0.108 0.000 1.051 559 V CA 2.590 64.837 62.300 -0.089 0.000 1.018 559 V CB -0.623 31.002 31.823 -0.330 0.000 0.641 559 V HN 0.452 nan 8.190 nan 0.000 0.445 560 M N -0.619 118.839 119.600 -0.236 0.000 2.202 560 M HA -0.181 4.340 4.480 0.069 0.000 0.262 560 M C 2.189 178.530 176.300 0.067 0.000 1.063 560 M CA 1.990 57.190 55.300 -0.166 0.000 1.097 560 M CB -0.759 31.588 32.600 -0.422 0.000 1.382 560 M HN 0.417 nan 8.290 nan 0.000 0.413 561 T N -0.513 114.061 114.554 0.034 0.000 2.812 561 T HA -0.125 4.266 4.350 0.069 0.000 0.264 561 T C 1.469 176.234 174.700 0.107 0.000 1.042 561 T CA 1.151 63.289 62.100 0.064 0.000 1.140 561 T CB -0.297 68.514 68.868 -0.095 0.000 0.870 561 T HN 0.258 nan 8.240 nan 0.000 0.445 562 Y N 0.101 120.540 120.300 0.233 0.000 2.145 562 Y HA -0.066 4.525 4.550 0.069 0.000 0.286 562 Y C 2.371 178.467 175.900 0.326 0.000 1.145 562 Y CA 0.308 58.610 58.100 0.337 0.000 1.148 562 Y CB -0.636 38.208 38.460 0.641 0.000 0.981 562 Y HN 0.328 nan 8.280 nan 0.000 0.507 563 W N 0.342 121.734 121.300 0.153 0.000 2.354 563 W HA -0.233 4.466 4.660 0.065 0.000 0.315 563 W C 2.558 179.099 176.519 0.037 0.000 1.206 563 W CA 1.914 59.281 57.345 0.038 0.000 1.290 563 W CB -0.706 28.733 29.460 -0.035 0.000 1.152 563 W HN 0.196 nan 8.180 nan 0.000 0.489 564 T N -1.752 112.958 114.554 0.261 0.000 2.867 564 T HA -0.168 4.224 4.350 0.069 0.000 0.268 564 T C 1.339 176.097 174.700 0.097 0.000 1.057 564 T CA 1.410 63.593 62.100 0.137 0.000 1.136 564 T CB -0.604 68.343 68.868 0.131 0.000 0.874 564 T HN -0.080 nan 8.240 nan 0.000 0.466 565 N N 0.842 119.613 118.700 0.118 0.000 2.166 565 N HA 0.032 4.814 4.740 0.069 0.000 0.186 565 N C 1.293 176.825 175.510 0.036 0.000 1.019 565 N CA 0.880 53.970 53.050 0.068 0.000 0.856 565 N CB -0.724 37.814 38.487 0.085 0.000 0.993 565 N HN 0.472 nan 8.380 nan 0.000 0.426 566 F N 1.512 121.394 119.950 -0.113 0.000 2.102 566 F HA -0.044 4.525 4.527 0.070 0.000 0.298 566 F C 2.155 177.880 175.800 -0.125 0.000 1.105 566 F CA 1.245 59.123 58.000 -0.203 0.000 1.239 566 F CB -0.489 38.299 39.000 -0.353 0.000 0.991 566 F HN 0.038 nan 8.300 nan 0.000 0.474 567 A N 0.255 123.059 122.820 -0.028 0.000 1.940 567 A HA -0.216 4.146 4.320 0.069 0.000 0.219 567 A C 2.235 179.755 177.584 -0.105 0.000 1.176 567 A CA 1.965 53.954 52.037 -0.081 0.000 0.631 567 A CB -0.633 18.355 19.000 -0.020 0.000 0.814 567 A HN 0.481 nan 8.150 nan 0.000 0.446 568 K N -1.186 119.172 120.400 -0.071 0.000 2.062 568 K HA -0.066 4.296 4.320 0.069 0.000 0.205 568 K C 1.775 178.319 176.600 -0.092 0.000 1.051 568 K CA 1.749 58.001 56.287 -0.058 0.000 0.941 568 K CB -0.148 32.336 32.500 -0.026 0.000 0.719 568 K HN 0.688 nan 8.250 nan 0.000 0.440 569 T N -4.484 109.990 114.554 -0.133 0.000 3.016 569 T HA 0.239 4.630 4.350 0.069 0.000 0.271 569 T C 1.121 175.693 174.700 -0.213 0.000 0.968 569 T CA 0.280 62.303 62.100 -0.129 0.000 0.891 569 T CB 1.029 69.856 68.868 -0.068 0.000 1.149 569 T HN 0.284 nan 8.240 nan 0.000 0.524 570 G N 1.470 110.006 108.800 -0.441 0.000 2.176 570 G HA2 -0.162 3.839 3.960 0.069 0.000 0.252 570 G HA3 -0.162 3.839 3.960 0.069 0.000 0.252 570 G C -0.399 174.325 174.900 -0.293 0.000 1.024 570 G CA 0.232 44.905 45.100 -0.713 0.000 0.755 570 G HN 0.794 nan 8.290 nan 0.000 0.507 571 D N -0.716 119.575 120.400 -0.183 0.000 2.763 571 D HA 0.358 5.039 4.640 0.069 0.000 0.235 571 D C -1.702 174.511 176.300 -0.145 0.000 1.334 571 D CA -1.376 52.546 54.000 -0.129 0.000 0.950 571 D CB 1.989 42.788 40.800 -0.001 0.000 1.433 571 D HN -0.005 nan 8.370 nan 0.000 0.580 572 P HA -0.028 nan 4.420 nan 0.000 0.234 572 P C 0.613 178.022 177.300 0.181 0.000 1.167 572 P CA 0.472 63.521 63.100 -0.085 0.000 0.763 572 P CB 0.704 32.149 31.700 -0.425 0.000 0.835 573 N N -0.992 117.767 118.700 0.099 0.000 2.349 573 N HA -0.005 4.776 4.740 0.069 0.000 0.180 573 N C 1.181 176.745 175.510 0.090 0.000 1.024 573 N CA 0.481 53.630 53.050 0.165 0.000 0.869 573 N CB -0.493 38.108 38.487 0.190 0.000 1.022 573 N HN 0.082 nan 8.380 nan 0.000 0.433 574 Q N 1.226 121.061 119.800 0.057 0.000 2.793 574 Q HA 0.119 4.500 4.340 0.069 0.000 0.220 574 Q C -1.400 174.612 176.000 0.020 0.000 1.123 574 Q CA -0.957 54.867 55.803 0.035 0.000 1.073 574 Q CB -0.669 28.083 28.738 0.023 0.000 1.315 574 Q HN 0.011 nan 8.270 nan 0.000 0.619 575 P HA -0.320 nan 4.420 nan 0.000 0.264 575 P C -0.484 176.813 177.300 -0.004 0.000 0.824 575 P CA 1.430 64.531 63.100 0.001 0.000 1.073 575 P CB -0.476 31.220 31.700 -0.006 0.000 0.839 576 V N 1.445 121.349 119.914 -0.017 0.000 2.621 576 V HA -0.064 4.098 4.120 0.069 0.000 0.300 576 V C -1.481 174.589 176.094 -0.040 0.000 1.031 576 V CA 0.128 62.407 62.300 -0.036 0.000 1.210 576 V CB -0.997 30.796 31.823 -0.050 0.000 0.864 576 V HN 0.368 nan 8.190 nan 0.000 0.477 577 P HA 0.288 nan 4.420 nan 0.000 0.280 577 P C -1.011 176.235 177.300 -0.090 0.000 1.272 577 P CA -0.799 62.278 63.100 -0.038 0.000 0.819 577 P CB 0.806 32.505 31.700 -0.001 0.000 1.122 578 Q N 1.566 121.298 119.800 -0.114 0.000 2.406 578 Q HA 0.276 4.657 4.340 0.069 0.000 0.242 578 Q C -0.312 175.662 176.000 -0.043 0.000 1.036 578 Q CA 0.049 55.718 55.803 -0.224 0.000 0.904 578 Q CB 0.505 28.930 28.738 -0.522 0.000 1.244 578 Q HN 0.513 nan 8.270 nan 0.000 0.478 591 E N 0.161 120.435 120.200 0.123 0.000 1.998 591 E HA -0.071 4.321 4.350 0.069 0.000 0.195 591 E C 1.141 177.799 176.600 0.095 0.000 0.994 591 E CA 1.158 57.614 56.400 0.093 0.000 0.835 591 E CB 0.090 29.817 29.700 0.046 0.000 0.786 591 E HN 0.232 nan 8.360 nan 0.000 0.467 592 E N 0.844 121.080 120.200 0.060 0.000 2.502 592 E HA -0.002 4.389 4.350 0.069 0.000 0.194 592 E C 0.046 176.695 176.600 0.082 0.000 1.062 592 E CA 0.171 56.608 56.400 0.061 0.000 0.867 592 E CB 0.435 30.151 29.700 0.027 0.000 0.888 592 E HN 0.049 nan 8.360 nan 0.000 0.510 593 V N 1.793 121.776 119.914 0.114 0.000 2.071 593 V HA 0.249 4.410 4.120 0.069 0.000 0.254 593 V C 0.322 176.595 176.094 0.298 0.000 1.456 593 V CA -0.331 62.068 62.300 0.166 0.000 1.383 593 V CB -0.311 31.589 31.823 0.128 0.000 1.433 593 V HN 0.036 nan 8.190 nan 0.000 0.499 594 A N 3.546 126.510 122.820 0.241 0.000 2.287 594 A HA 0.488 4.850 4.320 0.069 0.000 0.317 594 A C -0.419 177.370 177.584 0.342 0.000 1.220 594 A CA -0.604 51.615 52.037 0.304 0.000 0.835 594 A CB 0.498 19.640 19.000 0.236 0.000 1.180 594 A HN 0.669 nan 8.150 nan 0.000 0.500 595 W N 4.998 126.411 121.300 0.189 0.000 2.838 595 W HA 0.133 4.833 4.660 0.067 0.000 0.412 595 W C -0.335 176.353 176.519 0.281 0.000 1.236 595 W CA 0.274 57.707 57.345 0.146 0.000 1.501 595 W CB -0.650 28.797 29.460 -0.021 0.000 1.617 595 W HN 0.656 nan 8.180 nan 0.000 0.496 596 T N 5.789 120.668 114.554 0.542 0.000 2.918 596 T HA 0.086 4.478 4.350 0.069 0.000 0.302 596 T C 0.624 175.552 174.700 0.380 0.000 1.045 596 T CA -0.475 61.857 62.100 0.386 0.000 1.114 596 T CB 1.116 70.109 68.868 0.208 0.000 0.965 596 T HN 0.279 nan 8.240 nan 0.000 0.540 597 R N 1.555 122.131 120.500 0.127 0.000 2.537 597 R HA 0.063 4.444 4.340 0.069 0.000 0.280 597 R C -0.752 175.533 176.300 -0.025 0.000 1.058 597 R CA -0.363 55.585 56.100 -0.254 0.000 1.057 597 R CB 0.152 30.261 30.300 -0.318 0.000 0.973 597 R HN 0.707 nan 8.270 nan 0.000 0.438 598 Y N 3.500 123.717 120.300 -0.138 0.000 2.335 598 Y HA 0.186 4.778 4.550 0.070 0.000 0.331 598 Y C -0.524 175.363 175.900 -0.022 0.000 1.094 598 Y CA 0.340 58.440 58.100 0.000 0.000 1.253 598 Y CB 0.770 39.291 38.460 0.102 0.000 1.203 598 Y HN 0.710 nan 8.280 nan 0.000 0.508 599 S N 3.453 119.007 115.700 -0.243 0.000 2.638 599 S HA 0.221 4.732 4.470 0.069 0.000 0.274 599 S C 0.253 174.671 174.600 -0.303 0.000 1.157 599 S CA -0.915 57.218 58.200 -0.112 0.000 0.826 599 S CB 1.798 64.974 63.200 -0.040 0.000 1.139 599 S HN 0.809 nan 8.310 nan 0.000 0.474 600 Q N 0.457 120.205 119.800 -0.086 0.000 2.291 600 Q HA -0.077 4.304 4.340 0.069 0.000 0.206 600 Q C 1.854 177.818 176.000 -0.059 0.000 0.976 600 Q CA 1.328 57.099 55.803 -0.055 0.000 0.875 600 Q CB -0.098 28.659 28.738 0.032 0.000 0.927 600 Q HN 0.717 nan 8.270 nan 0.000 0.450 601 K N -0.008 120.349 120.400 -0.072 0.000 1.973 601 K HA -0.156 4.206 4.320 0.069 0.000 0.210 601 K C 0.743 177.334 176.600 -0.015 0.000 1.045 601 K CA 1.787 58.060 56.287 -0.023 0.000 0.937 601 K CB 0.201 32.684 32.500 -0.027 0.000 0.721 601 K HN 0.162 nan 8.250 nan 0.000 0.438 602 D N -0.125 120.175 120.400 -0.166 0.000 2.423 602 D HA 0.014 4.695 4.640 0.069 0.000 0.208 602 D C -0.298 175.573 176.300 -0.714 0.000 1.068 602 D CA 0.168 53.984 54.000 -0.307 0.000 0.860 602 D CB 0.576 41.272 40.800 -0.173 0.000 0.992 602 D HN 0.215 nan 8.370 nan 0.000 0.504 603 Q N 0.495 119.898 119.800 -0.662 0.000 2.439 603 Q HA -0.192 4.189 4.340 0.069 0.000 0.325 603 Q C -0.590 175.119 176.000 -0.486 0.000 1.372 603 Q CA 0.129 55.367 55.803 -0.942 0.000 0.909 603 Q CB -1.760 26.575 28.738 -0.672 0.000 1.167 603 Q HN 0.363 nan 8.270 nan 0.000 0.418 604 L N 1.456 122.509 121.223 -0.284 0.000 2.416 604 L HA 0.345 4.726 4.340 0.069 0.000 0.272 604 L C 0.249 177.294 176.870 0.290 0.000 1.161 604 L CA -0.092 54.740 54.840 -0.013 0.000 0.845 604 L CB -0.010 42.042 42.059 -0.012 0.000 1.119 604 L HN 0.215 nan 8.230 nan 0.000 0.464 605 Y N 1.812 122.216 120.300 0.174 0.000 2.581 605 Y HA 0.622 5.214 4.550 0.071 0.000 0.345 605 Y C -1.301 174.629 175.900 0.050 0.000 1.036 605 Y CA -1.576 56.698 58.100 0.290 0.000 1.042 605 Y CB 1.140 39.819 38.460 0.364 0.000 1.289 605 Y HN 0.286 nan 8.280 nan 0.000 0.471 606 L N 4.309 125.458 121.223 -0.122 0.000 2.255 606 L HA 0.281 4.662 4.340 0.069 0.000 0.289 606 L C -0.511 176.221 176.870 -0.230 0.000 1.046 606 L CA -0.355 54.189 54.840 -0.493 0.000 0.816 606 L CB -0.138 41.129 42.059 -1.321 0.000 1.197 606 L HN 1.061 nan 8.230 nan 0.000 0.427 607 H N 5.574 124.443 119.070 -0.335 0.000 3.082 607 H HA 0.188 4.786 4.556 0.070 0.000 0.275 607 H C -0.348 174.852 175.328 -0.213 0.000 1.032 607 H CA 0.129 56.050 56.048 -0.212 0.000 1.477 607 H CB 0.196 29.793 29.762 -0.275 0.000 1.520 607 H HN 0.545 nan 8.280 nan 0.000 0.521 608 I N 6.520 126.827 120.570 -0.438 0.000 2.291 608 I HA 0.380 4.591 4.170 0.069 0.000 0.290 608 I C 0.819 176.604 176.117 -0.553 0.000 1.050 608 I CA 0.213 61.247 61.300 -0.443 0.000 1.245 608 I CB 0.752 38.414 38.000 -0.564 0.000 1.405 608 I HN 0.833 nan 8.210 nan 0.000 0.478 609 G N 4.354 113.001 108.800 -0.255 0.000 2.561 609 G HA2 0.318 4.319 3.960 0.069 0.000 0.310 609 G HA3 0.318 4.319 3.960 0.069 0.000 0.310 609 G C -0.213 174.631 174.900 -0.094 0.000 1.292 609 G CA -0.618 44.389 45.100 -0.155 0.000 0.811 609 G HN 0.225 nan 8.290 nan 0.000 0.482 610 L N -0.370 120.776 121.223 -0.128 0.000 2.450 610 L HA 0.159 4.540 4.340 0.069 0.000 0.224 610 L C 1.042 177.868 176.870 -0.073 0.000 1.149 610 L CA 1.313 56.065 54.840 -0.147 0.000 0.816 610 L CB -0.612 41.336 42.059 -0.185 0.000 0.932 610 L HN 0.508 nan 8.230 nan 0.000 0.449 611 K N -1.362 119.022 120.400 -0.026 0.000 3.084 611 K HA 0.372 4.733 4.320 0.069 0.000 0.172 611 K C -2.619 173.931 176.600 -0.083 0.000 1.078 611 K CA -1.755 54.486 56.287 -0.076 0.000 0.875 611 K CB -0.410 32.046 32.500 -0.074 0.000 1.064 611 K HN -0.166 nan 8.250 nan 0.000 0.597 612 P HA 0.038 nan 4.420 nan 0.000 0.264 612 P C -0.551 176.674 177.300 -0.124 0.000 1.193 612 P CA 0.094 63.172 63.100 -0.036 0.000 0.763 612 P CB 0.664 32.330 31.700 -0.056 0.000 0.810 613 R N 0.966 121.408 120.500 -0.097 0.000 2.710 613 R HA 0.572 4.953 4.340 0.069 0.000 0.270 613 R C -1.321 174.864 176.300 -0.193 0.000 1.021 613 R CA -1.188 54.811 56.100 -0.167 0.000 0.889 613 R CB 2.246 32.401 30.300 -0.242 0.000 1.243 613 R HN 0.286 nan 8.270 nan 0.000 0.464 614 V N 2.750 122.544 119.914 -0.199 0.000 2.357 614 V HA 0.470 4.631 4.120 0.069 0.000 0.284 614 V C -0.750 175.156 176.094 -0.313 0.000 1.018 614 V CA -0.296 61.843 62.300 -0.268 0.000 0.841 614 V CB 0.925 32.666 31.823 -0.136 0.000 0.991 614 V HN 0.570 nan 8.190 nan 0.000 0.437 615 K N 4.760 124.814 120.400 -0.577 0.000 2.354 615 K HA 0.627 4.988 4.320 0.069 0.000 0.238 615 K C -0.629 175.776 176.600 -0.324 0.000 1.068 615 K CA -0.706 55.319 56.287 -0.435 0.000 0.925 615 K CB 1.978 34.226 32.500 -0.420 0.000 1.286 615 K HN 0.884 nan 8.250 nan 0.000 0.500 616 E N -0.267 119.925 120.200 -0.014 0.000 2.320 616 E HA 0.315 4.706 4.350 0.069 0.000 0.264 616 E C -0.896 175.881 176.600 0.295 0.000 0.923 616 E CA -0.891 55.540 56.400 0.052 0.000 0.796 616 E CB 0.987 30.631 29.700 -0.093 0.000 1.262 616 E HN 0.429 nan 8.360 nan 0.000 0.428 617 H N 0.071 119.278 119.070 0.229 0.000 2.387 617 H HA -0.256 4.341 4.556 0.068 0.000 0.315 617 H C -0.922 174.524 175.328 0.196 0.000 0.955 617 H CA 0.711 56.850 56.048 0.152 0.000 1.046 617 H CB -1.680 28.127 29.762 0.076 0.000 1.615 617 H HN 0.575 nan 8.280 nan 0.000 0.346 618 Y N 2.613 122.901 120.300 -0.021 0.000 2.721 618 Y HA -0.085 4.505 4.550 0.066 0.000 0.329 618 Y C 1.184 177.065 175.900 -0.033 0.000 1.211 618 Y CA 0.013 57.955 58.100 -0.263 0.000 1.512 618 Y CB 0.379 38.367 38.460 -0.787 0.000 1.249 618 Y HN 0.520 nan 8.280 nan 0.000 0.549 619 R N 3.265 123.563 120.500 -0.337 0.000 3.266 619 R HA -0.311 4.070 4.340 0.069 0.000 0.245 619 R C 1.245 177.495 176.300 -0.084 0.000 0.941 619 R CA 0.261 56.194 56.100 -0.280 0.000 0.638 619 R CB -1.596 28.406 30.300 -0.496 0.000 1.019 619 R HN 0.838 nan 8.270 nan 0.000 0.462 620 A N 0.552 123.375 122.820 0.006 0.000 1.997 620 A HA -0.274 4.087 4.320 0.069 0.000 0.221 620 A C 1.975 179.557 177.584 -0.003 0.000 1.172 620 A CA 1.819 53.873 52.037 0.029 0.000 0.645 620 A CB -0.338 18.682 19.000 0.032 0.000 0.813 620 A HN 0.649 nan 8.150 nan 0.000 0.454 621 N N -0.761 117.926 118.700 -0.023 0.000 2.092 621 N HA -0.140 4.641 4.740 0.069 0.000 0.189 621 N C 1.527 177.011 175.510 -0.042 0.000 1.040 621 N CA 1.334 54.358 53.050 -0.043 0.000 0.845 621 N CB -0.088 38.361 38.487 -0.064 0.000 1.017 621 N HN 0.228 nan 8.380 nan 0.000 0.426 622 K N 1.054 121.442 120.400 -0.021 0.000 2.057 622 K HA -0.014 4.347 4.320 0.069 0.000 0.206 622 K C 2.161 178.877 176.600 0.193 0.000 1.050 622 K CA 0.429 56.750 56.287 0.056 0.000 0.935 622 K CB -0.950 31.656 32.500 0.177 0.000 0.715 622 K HN 0.067 nan 8.250 nan 0.000 0.439 623 V N 2.845 122.856 119.914 0.162 0.000 2.282 623 V HA -0.276 3.885 4.120 0.069 0.000 0.249 623 V C 2.064 178.257 176.094 0.166 0.000 1.057 623 V CA 1.807 64.222 62.300 0.192 0.000 1.032 623 V CB -0.466 31.425 31.823 0.113 0.000 0.645 623 V HN 0.373 nan 8.190 nan 0.000 0.447 624 N N -0.301 118.449 118.700 0.083 0.000 2.188 624 N HA -0.089 4.692 4.740 0.069 0.000 0.184 624 N C 1.900 177.424 175.510 0.023 0.000 1.018 624 N CA 1.120 54.202 53.050 0.053 0.000 0.858 624 N CB -0.178 38.317 38.487 0.014 0.000 0.989 624 N HN 0.406 nan 8.380 nan 0.000 0.426 625 L N 0.102 121.300 121.223 -0.043 0.000 1.963 625 L HA -0.222 4.159 4.340 0.069 0.000 0.220 625 L C 1.974 178.765 176.870 -0.133 0.000 1.076 625 L CA 1.952 56.684 54.840 -0.180 0.000 0.772 625 L CB -0.419 41.413 42.059 -0.377 0.000 0.892 625 L HN 0.256 nan 8.230 nan 0.000 0.435 626 W N -0.496 120.862 121.300 0.097 0.000 2.418 626 W HA -0.117 4.591 4.660 0.080 0.000 0.292 626 W C 2.461 179.032 176.519 0.087 0.000 1.213 626 W CA 0.300 57.715 57.345 0.117 0.000 1.283 626 W CB -0.137 29.409 29.460 0.143 0.000 1.119 626 W HN 0.135 nan 8.180 nan 0.000 0.542 627 L N -0.660 120.729 121.223 0.277 0.000 2.249 627 L HA -0.001 4.380 4.340 0.069 0.000 0.207 627 L C 2.211 179.168 176.870 0.146 0.000 1.090 627 L CA 1.083 56.038 54.840 0.190 0.000 0.802 627 L CB -0.325 41.827 42.059 0.154 0.000 0.947 627 L HN -0.003 nan 8.230 nan 0.000 0.453 628 E N -0.903 119.370 120.200 0.122 0.000 2.367 628 E HA 0.030 4.421 4.350 0.069 0.000 0.204 628 E C 1.894 178.590 176.600 0.160 0.000 0.840 628 E CA 0.038 56.513 56.400 0.124 0.000 1.051 628 E CB 0.726 30.478 29.700 0.086 0.000 1.051 628 E HN 0.209 nan 8.360 nan 0.000 0.509 629 L N 1.065 122.329 121.223 0.069 0.000 2.221 629 L HA 0.052 4.434 4.340 0.069 0.000 0.202 629 L C 2.211 179.079 176.870 -0.002 0.000 1.074 629 L CA 0.709 55.561 54.840 0.021 0.000 0.795 629 L CB -0.165 41.850 42.059 -0.073 0.000 0.960 629 L HN -0.051 nan 8.230 nan 0.000 0.458 630 V N 1.762 121.641 119.914 -0.059 0.000 2.490 630 V HA -0.142 4.019 4.120 0.069 0.000 0.250 630 V C -0.436 175.506 176.094 -0.254 0.000 1.061 630 V CA 1.724 63.930 62.300 -0.157 0.000 1.064 630 V CB -1.417 30.368 31.823 -0.065 0.000 0.670 630 V HN 0.339 nan 8.190 nan 0.000 0.461 631 P HA -0.120 nan 4.420 nan 0.000 0.220 631 P C 1.131 178.332 177.300 -0.164 0.000 1.148 631 P CA 1.323 64.375 63.100 -0.080 0.000 0.803 631 P CB -0.125 31.589 31.700 0.024 0.000 0.782 632 H N -1.816 117.187 119.070 -0.112 0.000 2.559 632 H HA 0.054 4.651 4.556 0.068 0.000 0.273 632 H C 0.656 175.922 175.328 -0.104 0.000 1.000 632 H CA 0.601 56.604 56.048 -0.074 0.000 1.195 632 H CB -0.355 29.372 29.762 -0.058 0.000 1.368 632 H HN -0.005 nan 8.280 nan 0.000 0.592 633 L N 0.588 121.731 121.223 -0.133 0.000 2.872 633 L HA 0.133 4.514 4.340 0.069 0.000 0.245 633 L C -0.021 176.782 176.870 -0.111 0.000 1.211 633 L CA 0.033 54.791 54.840 -0.137 0.000 1.013 633 L CB -0.523 41.425 42.059 -0.185 0.000 1.326 633 L HN 0.271 nan 8.230 nan 0.000 0.525 634 H N -0.518 118.570 119.070 0.030 0.000 2.615 634 H HA 0.610 5.207 4.556 0.068 0.000 0.346 634 H C -0.103 175.255 175.328 0.051 0.000 1.200 634 H CA -0.594 55.479 56.048 0.043 0.000 1.264 634 H CB 1.557 31.346 29.762 0.046 0.000 1.699 634 H HN 0.026 nan 8.280 nan 0.000 0.567 635 N N 0.000 118.835 118.700 0.225 0.000 1.763 635 N HA 0.000 4.781 4.740 0.069 0.000 0.220 635 N CA 0.000 53.138 53.050 0.146 0.000 0.885 635 N CB 0.000 38.575 38.487 0.146 0.000 1.341 635 N HN 0.000 nan 8.380 nan 0.000 0.667