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 1xfy_1_B DATA FIRST_RESID 64 DATA SEQUENCE NNLVKTEFTN ETLDKIQQTQ DLLKKIPKDV LEIYSELGGE IYFTDIDLVE DATA SEQUENCE HKELQDLSEE EKNSMNSRGE KVPFASRFVF EKKRETPKLI INIKDYAINS DATA SEQUENCE EQSKEVYYEI GKGISLDIIS KDKSLDPEFL NLIKSLSDDS DSSDLLFSQK DATA SEQUENCE FKEKLELNNK SIDINFIKEN LTEFQHAFSL AFSYYFAPDH RTVLELYAPD DATA SEQUENCE MFEYMNKLEK GGFEKISESL KKEGVEKDRI DVLKGEKALK ASGLVPEHAD DATA SEQUENCE AFKKIARELN TYILFRPVNK LATNLIKSGV ATKGLNVHGK SSDWGPVAGY DATA SEQUENCE IPFDQDLSKK HGQQLAVEKG NLENKKSITE HEGEIGKIPL KLDHLRIEEL DATA SEQUENCE KENGIILKGK KEIDNGKKYY LLESNNQVYE FRISDENNEV QYKTKEGKIT DATA SEQUENCE VLGEKFNWRN IEVMAKNVEG VLKPLTADYD LFALAPSLTE IKKQIPQKEW DATA SEQUENCE DKVVNTPNSL EKQKGVTNLL IKYGIERKPD STKGTLSNWQ KQMLDRLNEA DATA SEQUENCE VKYTGYTGGD VVNHGTEQDN EEFPEKDNEI FIINPEGEFI LTKNWEMTGR DATA SEQUENCE FIEKNITGKD YLYYFNRSYN KIAPGNKAYI EWTDPITKAK INTIPTSAEF DATA SEQUENCE IKNLSSIRRS SNVGVYKDSG DKDEFAKKES VKKIAGYLSD YYNSANHIFS DATA SEQUENCE QEKKRKISIF RGIQAYNEIE NVLKSKQIAP EYKNYFQYLK ERITNQVQLL DATA SEQUENCE LTHQKSNIEF KLLYKQLNFT ENETDNFEVF QKIID 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 64 N HA 0.000 nan 4.740 nan 0.000 0.220 64 N C 0.000 175.493 175.510 -0.028 0.000 1.280 64 N CA 0.000 53.033 53.050 -0.029 0.000 0.885 64 N CB 0.000 38.463 38.487 -0.039 0.000 1.341 65 N N 1.545 120.228 118.700 -0.027 0.000 2.419 65 N HA 0.183 4.925 4.740 0.003 0.000 0.264 65 N C 0.783 176.268 175.510 -0.043 0.000 1.031 65 N CA -0.555 52.480 53.050 -0.025 0.000 0.951 65 N CB 1.378 39.857 38.487 -0.013 0.000 1.101 65 N HN 0.527 nan 8.380 nan 0.000 0.488 66 L N 3.622 124.827 121.223 -0.031 0.000 2.012 66 L HA 0.017 4.358 4.340 0.003 0.000 0.210 66 L C 0.484 177.314 176.870 -0.067 0.000 1.073 66 L CA 1.634 56.454 54.840 -0.034 0.000 0.748 66 L CB -0.116 41.951 42.059 0.014 0.000 0.891 66 L HN 0.387 nan 8.230 nan 0.000 0.431 67 V N 0.527 120.425 119.914 -0.027 0.000 2.439 67 V HA 0.381 4.503 4.120 0.003 0.000 0.282 67 V C -0.408 175.675 176.094 -0.018 0.000 1.039 67 V CA -0.618 61.677 62.300 -0.009 0.000 0.913 67 V CB 1.159 33.052 31.823 0.116 0.000 0.983 67 V HN 0.351 nan 8.190 nan 0.000 0.460 68 K N 4.000 124.364 120.400 -0.059 0.000 2.535 68 K HA 0.462 4.784 4.320 0.003 0.000 0.253 68 K C -0.498 176.203 176.600 0.168 0.000 0.953 68 K CA -0.261 56.035 56.287 0.015 0.000 0.863 68 K CB 1.594 34.054 32.500 -0.067 0.000 1.111 68 K HN 0.874 nan 8.250 nan 0.000 0.431 69 T N 0.100 114.770 114.554 0.194 0.000 2.727 69 T HA 0.205 4.557 4.350 0.003 0.000 0.298 69 T C 0.883 175.715 174.700 0.220 0.000 0.942 69 T CA -0.659 61.588 62.100 0.245 0.000 0.997 69 T CB 1.356 70.322 68.868 0.164 0.000 0.917 69 T HN 0.399 nan 8.240 nan 0.000 0.487 70 E N 2.614 122.969 120.200 0.258 0.000 2.008 70 E HA 0.174 4.526 4.350 0.003 0.000 0.191 70 E C -0.346 176.384 176.600 0.216 0.000 0.986 70 E CA 0.831 57.353 56.400 0.203 0.000 0.807 70 E CB 0.111 29.919 29.700 0.179 0.000 0.766 70 E HN 0.793 nan 8.360 nan 0.000 0.450 71 F N 0.670 120.677 119.950 0.094 0.000 2.388 71 F HA 0.166 4.695 4.527 0.003 0.000 0.358 71 F C 0.287 176.114 175.800 0.046 0.000 1.122 71 F CA -0.579 57.459 58.000 0.063 0.000 1.056 71 F CB 1.209 40.243 39.000 0.057 0.000 1.155 71 F HN -0.043 nan 8.300 nan 0.000 0.461 72 T N 0.425 115.194 114.554 0.358 0.000 3.330 72 T HA 0.036 4.388 4.350 0.003 0.000 0.249 72 T C 0.985 175.682 174.700 -0.005 0.000 0.980 72 T CA -0.256 61.918 62.100 0.123 0.000 0.920 72 T CB -0.492 68.439 68.868 0.105 0.000 1.065 72 T HN 0.591 nan 8.240 nan 0.000 0.588 73 N N 1.545 120.098 118.700 -0.245 0.000 2.043 73 N HA -0.094 4.648 4.740 0.003 0.000 0.193 73 N C 0.609 175.911 175.510 -0.348 0.000 1.037 73 N CA 1.322 53.990 53.050 -0.636 0.000 0.851 73 N CB 0.011 37.526 38.487 -1.621 0.000 1.027 73 N HN 0.486 nan 8.380 nan 0.000 0.422 74 E N -0.625 119.406 120.200 -0.281 0.000 2.421 74 E HA 0.113 4.465 4.350 0.003 0.000 0.253 74 E C 0.792 177.312 176.600 -0.133 0.000 1.277 74 E CA -0.048 56.234 56.400 -0.195 0.000 0.968 74 E CB 0.149 29.727 29.700 -0.204 0.000 1.040 74 E HN 0.399 nan 8.360 nan 0.000 0.512 75 T N -1.714 112.777 114.554 -0.106 0.000 3.018 75 T HA 0.084 4.436 4.350 0.003 0.000 0.338 75 T C 1.500 176.155 174.700 -0.074 0.000 1.208 75 T CA -0.676 61.383 62.100 -0.067 0.000 0.963 75 T CB 0.021 68.868 68.868 -0.035 0.000 1.697 75 T HN 0.144 nan 8.240 nan 0.000 0.560 76 L N 0.979 122.172 121.223 -0.050 0.000 1.978 76 L HA -0.164 4.177 4.340 0.003 0.000 0.218 76 L C 2.518 179.339 176.870 -0.080 0.000 1.075 76 L CA 2.027 56.836 54.840 -0.053 0.000 0.767 76 L CB -2.128 39.912 42.059 -0.031 0.000 0.890 76 L HN 0.656 nan 8.230 nan 0.000 0.434 77 D N 0.110 120.463 120.400 -0.080 0.000 2.565 77 D HA -0.300 4.342 4.640 0.003 0.000 0.189 77 D C 2.073 178.265 176.300 -0.181 0.000 1.052 77 D CA 2.375 56.295 54.000 -0.134 0.000 0.889 77 D CB -0.054 40.596 40.800 -0.250 0.000 0.911 77 D HN 0.416 nan 8.370 nan 0.000 0.464 78 K N 0.893 121.184 120.400 -0.181 0.000 1.975 78 K HA -0.062 4.260 4.320 0.003 0.000 0.210 78 K C 2.276 178.784 176.600 -0.154 0.000 1.041 78 K CA 1.051 57.241 56.287 -0.161 0.000 0.942 78 K CB -0.843 31.577 32.500 -0.134 0.000 0.729 78 K HN 0.178 nan 8.250 nan 0.000 0.439 79 I N 0.734 121.227 120.570 -0.129 0.000 2.068 79 I HA -0.308 3.864 4.170 0.003 0.000 0.238 79 I C 2.247 178.277 176.117 -0.144 0.000 1.046 79 I CA 1.758 62.979 61.300 -0.133 0.000 1.306 79 I CB -0.595 37.355 38.000 -0.084 0.000 1.023 79 I HN 0.375 nan 8.210 nan 0.000 0.399 80 Q N 0.420 120.157 119.800 -0.105 0.000 2.576 80 Q HA -0.182 4.160 4.340 0.003 0.000 0.219 80 Q C 1.460 177.401 176.000 -0.099 0.000 0.976 80 Q CA 0.971 56.721 55.803 -0.087 0.000 0.977 80 Q CB -0.162 28.545 28.738 -0.052 0.000 0.988 80 Q HN 0.544 nan 8.270 nan 0.000 0.555 81 Q N -2.593 117.122 119.800 -0.142 0.000 2.586 81 Q HA -0.025 4.317 4.340 0.003 0.000 0.243 81 Q C 1.631 177.493 176.000 -0.231 0.000 0.846 81 Q CA 0.816 56.533 55.803 -0.143 0.000 0.959 81 Q CB 0.259 28.924 28.738 -0.122 0.000 1.227 81 Q HN 0.496 nan 8.270 nan 0.000 0.611 82 T N -0.456 113.880 114.554 -0.363 0.000 2.720 82 T HA -0.195 4.157 4.350 0.003 0.000 0.268 82 T C 1.731 176.154 174.700 -0.462 0.000 1.037 82 T CA 1.559 63.237 62.100 -0.702 0.000 1.144 82 T CB -0.361 67.865 68.868 -1.070 0.000 0.864 82 T HN 0.301 nan 8.240 nan 0.000 0.444 83 Q N 1.001 120.629 119.800 -0.287 0.000 2.030 83 Q HA -0.162 4.180 4.340 0.003 0.000 0.204 83 Q C 2.335 178.245 176.000 -0.150 0.000 0.986 83 Q CA 1.763 57.461 55.803 -0.177 0.000 0.843 83 Q CB -0.420 28.247 28.738 -0.119 0.000 0.904 83 Q HN 0.526 nan 8.270 nan 0.000 0.420 84 D N 0.827 121.144 120.400 -0.138 0.000 2.126 84 D HA -0.185 4.457 4.640 0.003 0.000 0.190 84 D C 1.921 178.144 176.300 -0.128 0.000 1.001 84 D CA 0.952 54.888 54.000 -0.108 0.000 0.841 84 D CB -0.329 40.417 40.800 -0.089 0.000 0.949 84 D HN 0.048 nan 8.370 nan 0.000 0.446 85 L N 0.487 121.604 121.223 -0.177 0.000 2.013 85 L HA -0.190 4.152 4.340 0.003 0.000 0.212 85 L C 2.438 179.178 176.870 -0.217 0.000 1.073 85 L CA 1.429 56.136 54.840 -0.221 0.000 0.753 85 L CB -0.611 41.271 42.059 -0.295 0.000 0.890 85 L HN 0.100 nan 8.230 nan 0.000 0.432 86 L N -0.682 120.440 121.223 -0.169 0.000 1.988 86 L HA -0.227 4.115 4.340 0.003 0.000 0.207 86 L C 2.527 179.340 176.870 -0.095 0.000 1.071 86 L CA 1.694 56.468 54.840 -0.110 0.000 0.744 86 L CB -0.872 41.163 42.059 -0.039 0.000 0.893 86 L HN 0.325 nan 8.230 nan 0.000 0.433 87 K N 0.643 120.997 120.400 -0.076 0.000 2.293 87 K HA -0.273 4.049 4.320 0.003 0.000 0.204 87 K C 2.065 178.636 176.600 -0.048 0.000 1.045 87 K CA 1.569 57.825 56.287 -0.052 0.000 0.933 87 K CB -0.328 32.147 32.500 -0.042 0.000 0.736 87 K HN 0.241 nan 8.250 nan 0.000 0.463 88 K N 2.199 122.558 120.400 -0.069 0.000 1.984 88 K HA -0.084 4.238 4.320 0.003 0.000 0.209 88 K C 0.791 177.335 176.600 -0.094 0.000 1.046 88 K CA 0.755 57.012 56.287 -0.050 0.000 0.934 88 K CB -0.372 32.089 32.500 -0.065 0.000 0.717 88 K HN 0.277 nan 8.250 nan 0.000 0.438 89 I N 4.701 125.168 120.570 -0.173 0.000 2.775 89 I HA -0.018 4.154 4.170 0.003 0.000 0.290 89 I C -1.908 174.053 176.117 -0.260 0.000 1.203 89 I CA -1.515 59.604 61.300 -0.302 0.000 1.433 89 I CB 0.156 38.045 38.000 -0.186 0.000 1.354 89 I HN 0.187 nan 8.210 nan 0.000 0.579 90 P HA -0.031 nan 4.420 nan 0.000 0.261 90 P C 0.190 177.466 177.300 -0.041 0.000 1.203 90 P CA -0.159 62.879 63.100 -0.103 0.000 0.767 90 P CB 0.873 32.594 31.700 0.035 0.000 0.785 91 K N 3.773 124.177 120.400 0.006 0.000 2.184 91 K HA -0.236 4.086 4.320 0.003 0.000 0.210 91 K C 1.236 177.842 176.600 0.010 0.000 1.048 91 K CA 2.065 58.358 56.287 0.009 0.000 0.931 91 K CB -0.477 32.041 32.500 0.030 0.000 0.718 91 K HN 0.421 nan 8.250 nan 0.000 0.465 92 D N -0.868 119.559 120.400 0.045 0.000 2.137 92 D HA -0.112 4.530 4.640 0.003 0.000 0.202 92 D C 1.889 178.150 176.300 -0.066 0.000 0.970 92 D CA 1.039 55.064 54.000 0.043 0.000 0.837 92 D CB -0.392 40.502 40.800 0.157 0.000 0.981 92 D HN 0.089 nan 8.370 nan 0.000 0.475 93 V N 1.599 121.393 119.914 -0.200 0.000 2.317 93 V HA -0.270 3.852 4.120 0.003 0.000 0.251 93 V C 2.368 178.359 176.094 -0.172 0.000 1.065 93 V CA 1.512 63.581 62.300 -0.385 0.000 1.049 93 V CB -0.378 31.218 31.823 -0.378 0.000 0.651 93 V HN 0.159 nan 8.190 nan 0.000 0.450 94 L N -0.709 120.456 121.223 -0.097 0.000 2.005 94 L HA -0.098 4.244 4.340 0.003 0.000 0.207 94 L C 2.656 179.542 176.870 0.025 0.000 1.072 94 L CA 1.780 56.609 54.840 -0.019 0.000 0.744 94 L CB -0.981 41.066 42.059 -0.021 0.000 0.895 94 L HN 0.260 nan 8.230 nan 0.000 0.433 95 E N 0.338 120.539 120.200 0.001 0.000 2.331 95 E HA -0.180 4.172 4.350 0.003 0.000 0.199 95 E C 2.131 178.732 176.600 0.001 0.000 1.008 95 E CA 1.083 57.486 56.400 0.006 0.000 0.843 95 E CB -0.011 29.696 29.700 0.010 0.000 0.761 95 E HN 0.587 nan 8.360 nan 0.000 0.507 96 I N -0.769 119.799 120.570 -0.004 0.000 2.494 96 I HA -0.209 3.963 4.170 0.003 0.000 0.250 96 I C 2.216 178.336 176.117 0.005 0.000 1.112 96 I CA 0.447 61.740 61.300 -0.011 0.000 1.438 96 I CB -0.242 37.730 38.000 -0.047 0.000 1.111 96 I HN 0.018 nan 8.210 nan 0.000 0.431 97 Y N 1.997 122.227 120.300 -0.116 0.000 2.114 97 Y HA -0.312 4.240 4.550 0.003 0.000 0.284 97 Y C 3.068 178.912 175.900 -0.093 0.000 1.143 97 Y CA 1.833 59.866 58.100 -0.113 0.000 1.135 97 Y CB -0.458 37.928 38.460 -0.123 0.000 0.980 97 Y HN 0.227 nan 8.280 nan 0.000 0.499 98 S N -0.787 114.917 115.700 0.007 0.000 2.419 98 S HA -0.202 4.269 4.470 0.003 0.000 0.233 98 S C 1.912 176.456 174.600 -0.093 0.000 1.016 98 S CA 1.434 59.599 58.200 -0.059 0.000 0.974 98 S CB -0.413 62.778 63.200 -0.016 0.000 0.786 98 S HN 0.496 nan 8.310 nan 0.000 0.492 99 E N 1.453 121.608 120.200 -0.076 0.000 2.107 99 E HA 0.109 4.461 4.350 0.003 0.000 0.191 99 E C 1.396 177.931 176.600 -0.109 0.000 0.982 99 E CA 0.805 57.160 56.400 -0.074 0.000 0.809 99 E CB -0.490 29.181 29.700 -0.048 0.000 0.756 99 E HN 0.646 nan 8.360 nan 0.000 0.459 100 L N -0.201 120.929 121.223 -0.155 0.000 2.737 100 L HA 0.194 4.536 4.340 0.003 0.000 0.246 100 L C 1.231 177.965 176.870 -0.226 0.000 1.153 100 L CA 0.455 55.182 54.840 -0.188 0.000 0.920 100 L CB -0.468 41.450 42.059 -0.235 0.000 1.090 100 L HN 0.321 nan 8.230 nan 0.000 0.430 101 G N -0.280 108.404 108.800 -0.193 0.000 2.203 101 G HA2 -0.250 3.712 3.960 0.003 0.000 0.263 101 G HA3 -0.250 3.712 3.960 0.003 0.000 0.263 101 G C 0.610 175.362 174.900 -0.246 0.000 1.012 101 G CA 0.055 45.049 45.100 -0.177 0.000 0.749 101 G HN 0.576 nan 8.290 nan 0.000 0.512 102 G N -1.106 107.452 108.800 -0.404 0.000 2.580 102 G HA2 0.623 4.585 3.960 0.003 0.000 0.278 102 G HA3 0.623 4.585 3.960 0.003 0.000 0.278 102 G C -0.275 174.464 174.900 -0.269 0.000 1.212 102 G CA -0.184 44.579 45.100 -0.562 0.000 0.939 102 G HN 0.513 nan 8.290 nan 0.000 0.513 103 E N -0.929 119.175 120.200 -0.160 0.000 2.335 103 E HA 0.309 4.661 4.350 0.003 0.000 0.280 103 E C -1.068 175.420 176.600 -0.187 0.000 0.918 103 E CA -0.527 55.767 56.400 -0.177 0.000 0.765 103 E CB 2.577 32.107 29.700 -0.284 0.000 1.218 103 E HN 0.315 nan 8.360 nan 0.000 0.425 104 I N 2.585 123.012 120.570 -0.238 0.000 2.359 104 I HA 0.306 4.478 4.170 0.003 0.000 0.294 104 I C -0.934 174.905 176.117 -0.464 0.000 0.987 104 I CA -0.702 60.437 61.300 -0.269 0.000 1.225 104 I CB 0.727 38.612 38.000 -0.191 0.000 1.366 104 I HN 0.452 nan 8.210 nan 0.000 0.466 105 Y N 5.687 125.858 120.300 -0.216 0.000 2.342 105 Y HA 0.403 4.954 4.550 0.003 0.000 0.338 105 Y C -0.564 175.188 175.900 -0.247 0.000 0.965 105 Y CA -0.528 57.481 58.100 -0.152 0.000 1.159 105 Y CB 1.141 39.557 38.460 -0.073 0.000 1.157 105 Y HN 0.343 nan 8.280 nan 0.000 0.486 106 F N 2.513 122.591 119.950 0.213 0.000 2.347 106 F HA 0.350 4.879 4.527 0.003 0.000 0.366 106 F C 0.624 176.529 175.800 0.175 0.000 1.107 106 F CA -0.970 57.129 58.000 0.165 0.000 1.058 106 F CB 1.071 40.145 39.000 0.123 0.000 1.236 106 F HN 0.408 nan 8.300 nan 0.000 0.456 107 T N -1.466 113.277 114.554 0.315 0.000 2.864 107 T HA 0.372 4.724 4.350 0.003 0.000 0.276 107 T C 0.515 175.370 174.700 0.258 0.000 1.006 107 T CA -0.433 61.822 62.100 0.258 0.000 0.970 107 T CB 1.815 70.788 68.868 0.175 0.000 1.420 107 T HN 0.317 nan 8.240 nan 0.000 0.601 108 D N -0.364 120.200 120.400 0.273 0.000 2.435 108 D HA 0.243 4.885 4.640 0.003 0.000 0.257 108 D C 0.887 177.284 176.300 0.162 0.000 1.290 108 D CA 0.410 54.556 54.000 0.242 0.000 0.994 108 D CB 0.003 41.060 40.800 0.428 0.000 1.014 108 D HN 0.598 nan 8.370 nan 0.000 0.378 109 I N 0.797 121.461 120.570 0.157 0.000 3.326 109 I HA 0.169 4.341 4.170 0.003 0.000 0.336 109 I C -0.460 175.704 176.117 0.078 0.000 1.543 109 I CA -0.093 61.265 61.300 0.097 0.000 1.013 109 I CB 0.710 38.746 38.000 0.059 0.000 1.468 109 I HN -0.167 nan 8.210 nan 0.000 0.515 110 D N 1.286 121.751 120.400 0.109 0.000 2.332 110 D HA 0.051 4.693 4.640 0.003 0.000 0.244 110 D C 2.010 178.363 176.300 0.088 0.000 1.136 110 D CA 0.164 54.225 54.000 0.102 0.000 0.884 110 D CB 0.158 41.048 40.800 0.150 0.000 0.906 110 D HN 0.264 nan 8.370 nan 0.000 0.520 111 L N -0.353 120.909 121.223 0.064 0.000 2.402 111 L HA -0.380 3.962 4.340 0.003 0.000 0.240 111 L C 1.356 178.240 176.870 0.023 0.000 1.135 111 L CA 1.543 56.406 54.840 0.039 0.000 0.830 111 L CB -1.566 40.501 42.059 0.013 0.000 0.988 111 L HN 0.091 nan 8.230 nan 0.000 0.428 112 V N -0.786 119.165 119.914 0.061 0.000 3.898 112 V HA -0.122 4.000 4.120 0.003 0.000 0.270 112 V C 1.454 177.736 176.094 0.312 0.000 0.952 112 V CA 0.276 62.682 62.300 0.178 0.000 0.958 112 V CB -0.049 31.885 31.823 0.184 0.000 1.230 112 V HN 0.373 nan 8.190 nan 0.000 0.425 113 E N -0.891 119.555 120.200 0.411 0.000 2.526 113 E HA -0.179 4.173 4.350 0.003 0.000 0.206 113 E C 1.331 178.063 176.600 0.221 0.000 1.139 113 E CA 0.564 57.147 56.400 0.305 0.000 0.913 113 E CB -0.430 29.366 29.700 0.160 0.000 0.868 113 E HN 0.639 nan 8.360 nan 0.000 0.564 114 H N 0.578 119.708 119.070 0.100 0.000 2.529 114 H HA 0.073 4.631 4.556 0.003 0.000 0.277 114 H C 0.656 175.998 175.328 0.025 0.000 0.999 114 H CA 0.540 56.620 56.048 0.053 0.000 1.256 114 H CB 0.321 30.114 29.762 0.051 0.000 1.402 114 H HN -0.157 nan 8.280 nan 0.000 0.566 115 K N 1.741 122.207 120.400 0.110 0.000 2.448 115 K HA -0.080 4.242 4.320 0.003 0.000 0.278 115 K C 0.995 177.554 176.600 -0.069 0.000 1.009 115 K CA 0.272 56.562 56.287 0.006 0.000 0.995 115 K CB 0.422 32.916 32.500 -0.011 0.000 0.917 115 K HN 0.620 nan 8.250 nan 0.000 0.481 116 E N 3.162 123.287 120.200 -0.124 0.000 2.393 116 E HA -0.190 4.162 4.350 0.003 0.000 0.201 116 E C 0.569 177.082 176.600 -0.146 0.000 1.025 116 E CA 0.851 57.169 56.400 -0.137 0.000 0.856 116 E CB 0.099 29.709 29.700 -0.150 0.000 0.771 116 E HN 0.261 nan 8.360 nan 0.000 0.526 117 L N 0.683 121.803 121.223 -0.172 0.000 3.229 117 L HA 0.187 4.529 4.340 0.003 0.000 0.286 117 L C 0.860 177.700 176.870 -0.050 0.000 1.239 117 L CA 0.193 54.950 54.840 -0.138 0.000 1.035 117 L CB 0.969 42.890 42.059 -0.230 0.000 1.408 117 L HN 0.084 nan 8.230 nan 0.000 0.593 118 Q N -0.292 119.508 119.800 -0.000 0.000 2.220 118 Q HA 0.135 4.477 4.340 0.003 0.000 0.205 118 Q C 0.027 176.076 176.000 0.081 0.000 0.865 118 Q CA 0.109 55.977 55.803 0.108 0.000 0.960 118 Q CB 0.910 29.762 28.738 0.189 0.000 1.097 118 Q HN 0.371 nan 8.270 nan 0.000 0.493 119 D N -0.223 120.186 120.400 0.015 0.000 2.360 119 D HA 0.009 4.651 4.640 0.003 0.000 0.289 119 D C 1.169 177.461 176.300 -0.012 0.000 1.183 119 D CA -0.630 53.365 54.000 -0.008 0.000 1.082 119 D CB 0.370 41.151 40.800 -0.032 0.000 1.146 119 D HN -0.045 nan 8.370 nan 0.000 0.545 120 L N 1.166 122.373 121.223 -0.026 0.000 2.700 120 L HA -0.059 4.283 4.340 0.003 0.000 0.240 120 L C 1.300 178.160 176.870 -0.017 0.000 1.162 120 L CA 0.861 55.685 54.840 -0.028 0.000 0.874 120 L CB -1.040 41.001 42.059 -0.031 0.000 1.001 120 L HN 0.113 nan 8.230 nan 0.000 0.447 121 S N 0.979 116.672 115.700 -0.012 0.000 2.380 121 S HA -0.126 4.346 4.470 0.003 0.000 0.217 121 S C 0.735 175.330 174.600 -0.008 0.000 1.036 121 S CA 1.350 59.542 58.200 -0.014 0.000 1.050 121 S CB -0.093 63.095 63.200 -0.020 0.000 1.016 121 S HN 0.612 nan 8.310 nan 0.000 0.419 122 E N 1.667 121.868 120.200 0.002 0.000 2.621 122 E HA 0.281 4.632 4.350 0.003 0.000 0.263 122 E C -0.593 176.038 176.600 0.051 0.000 1.033 122 E CA -0.526 55.881 56.400 0.011 0.000 0.778 122 E CB 0.745 30.442 29.700 -0.005 0.000 1.426 122 E HN 0.686 nan 8.360 nan 0.000 0.394 123 E N 1.935 122.169 120.200 0.057 0.000 2.950 123 E HA 0.348 4.700 4.350 0.003 0.000 0.234 123 E C -0.558 176.096 176.600 0.091 0.000 0.936 123 E CA -0.979 55.483 56.400 0.103 0.000 1.114 123 E CB 0.459 30.167 29.700 0.013 0.000 1.555 123 E HN 0.120 nan 8.360 nan 0.000 0.488 124 E N 0.540 120.777 120.200 0.061 0.000 2.463 124 E HA -0.053 4.299 4.350 0.003 0.000 0.248 124 E C 0.049 176.663 176.600 0.023 0.000 1.106 124 E CA 0.350 56.777 56.400 0.045 0.000 0.946 124 E CB 0.325 30.023 29.700 -0.004 0.000 0.971 124 E HN 0.311 nan 8.360 nan 0.000 0.478 125 K N 2.451 122.873 120.400 0.037 0.000 2.344 125 K HA 0.170 4.492 4.320 0.003 0.000 0.200 125 K C -0.399 176.217 176.600 0.026 0.000 1.132 125 K CA 0.324 56.625 56.287 0.024 0.000 0.935 125 K CB 0.460 32.974 32.500 0.024 0.000 1.089 125 K HN 0.311 nan 8.250 nan 0.000 0.496 126 N N 0.193 118.916 118.700 0.039 0.000 2.577 126 N HA 0.152 4.894 4.740 0.003 0.000 0.275 126 N C -1.627 173.914 175.510 0.051 0.000 1.091 126 N CA -0.096 52.977 53.050 0.039 0.000 0.843 126 N CB 1.880 40.392 38.487 0.041 0.000 1.295 126 N HN -0.220 nan 8.380 nan 0.000 0.530 127 S N 2.907 118.632 115.700 0.041 0.000 2.519 127 S HA 0.187 4.659 4.470 0.003 0.000 0.320 127 S C 0.078 174.703 174.600 0.042 0.000 1.179 127 S CA -0.110 58.114 58.200 0.041 0.000 1.173 127 S CB -0.608 62.606 63.200 0.023 0.000 1.224 127 S HN 0.500 nan 8.310 nan 0.000 0.542 128 M N 2.333 121.973 119.600 0.066 0.000 2.037 128 M HA 0.455 4.937 4.480 0.003 0.000 0.255 128 M C -0.479 175.876 176.300 0.090 0.000 0.914 128 M CA -0.495 54.842 55.300 0.062 0.000 0.986 128 M CB 0.600 33.272 32.600 0.120 0.000 1.947 128 M HN 0.255 nan 8.290 nan 0.000 0.419 129 N N 0.746 119.473 118.700 0.044 0.000 2.804 129 N HA 0.176 4.918 4.740 0.003 0.000 0.233 129 N C 0.505 176.044 175.510 0.048 0.000 1.020 129 N CA 0.346 53.433 53.050 0.060 0.000 1.164 129 N CB 0.553 39.044 38.487 0.007 0.000 1.571 129 N HN 0.677 nan 8.380 nan 0.000 0.551 130 S N 1.269 116.947 115.700 -0.036 0.000 2.549 130 S HA 0.132 4.604 4.470 0.003 0.000 0.260 130 S C 1.222 175.928 174.600 0.178 0.000 1.217 130 S CA -0.492 57.684 58.200 -0.040 0.000 1.001 130 S CB 0.694 63.674 63.200 -0.367 0.000 1.059 130 S HN 0.279 nan 8.310 nan 0.000 0.537 131 R N 0.846 121.623 120.500 0.461 0.000 2.103 131 R HA -0.057 4.285 4.340 0.003 0.000 0.234 131 R C 1.115 177.498 176.300 0.138 0.000 1.132 131 R CA 1.576 57.881 56.100 0.342 0.000 0.925 131 R CB -1.190 29.340 30.300 0.383 0.000 0.842 131 R HN 0.692 nan 8.270 nan 0.000 0.430 132 G N -0.098 108.793 108.800 0.151 0.000 2.537 132 G HA2 0.155 4.117 3.960 0.003 0.000 0.297 132 G HA3 0.155 4.117 3.960 0.003 0.000 0.297 132 G C -1.265 173.644 174.900 0.015 0.000 1.310 132 G CA -0.513 44.624 45.100 0.062 0.000 1.027 132 G HN 0.371 nan 8.290 nan 0.000 0.505 133 E N -0.852 119.345 120.200 -0.006 0.000 2.101 133 E HA 0.379 4.731 4.350 0.003 0.000 0.260 133 E C 0.435 177.026 176.600 -0.014 0.000 0.897 133 E CA -0.459 55.929 56.400 -0.020 0.000 0.744 133 E CB 1.085 30.770 29.700 -0.025 0.000 1.140 133 E HN 0.401 nan 8.360 nan 0.000 0.419 134 K N 2.577 122.961 120.400 -0.028 0.000 2.274 134 K HA 0.270 4.592 4.320 0.003 0.000 0.219 134 K C 0.281 176.866 176.600 -0.025 0.000 1.058 134 K CA 0.293 56.564 56.287 -0.028 0.000 0.920 134 K CB 0.364 32.838 32.500 -0.044 0.000 1.124 134 K HN 0.205 nan 8.250 nan 0.000 0.464 135 V N 0.929 120.821 119.914 -0.038 0.000 3.319 135 V HA -0.102 4.020 4.120 0.003 0.000 0.193 135 V C -2.649 173.443 176.094 -0.003 0.000 0.675 135 V CA 0.756 63.044 62.300 -0.020 0.000 1.220 135 V CB -1.026 30.798 31.823 0.000 0.000 1.244 135 V HN 0.294 nan 8.190 nan 0.000 1.182 136 P HA 0.123 nan 4.420 nan 0.000 0.235 136 P C 1.087 178.388 177.300 0.002 0.000 1.765 136 P CA -0.130 62.969 63.100 -0.003 0.000 1.034 136 P CB -0.128 31.556 31.700 -0.025 0.000 1.984 137 F N 3.343 123.217 119.950 -0.126 0.000 2.054 137 F HA -0.411 4.118 4.527 0.003 0.000 0.294 137 F C 2.368 178.102 175.800 -0.111 0.000 1.126 137 F CA 2.821 60.722 58.000 -0.165 0.000 1.226 137 F CB -0.926 37.969 39.000 -0.174 0.000 0.947 137 F HN 0.288 nan 8.300 nan 0.000 0.509 138 A N -0.583 122.353 122.820 0.194 0.000 1.985 138 A HA -0.320 4.002 4.320 0.003 0.000 0.223 138 A C 1.842 179.384 177.584 -0.069 0.000 1.189 138 A CA 2.296 54.385 52.037 0.087 0.000 0.658 138 A CB -1.540 17.516 19.000 0.092 0.000 0.820 138 A HN 0.638 nan 8.150 nan 0.000 0.464 139 S N -0.702 114.943 115.700 -0.090 0.000 3.149 139 S HA 0.495 4.967 4.470 0.003 0.000 0.228 139 S C 0.105 174.602 174.600 -0.171 0.000 1.393 139 S CA -0.633 57.498 58.200 -0.115 0.000 1.224 139 S CB -0.136 63.010 63.200 -0.091 0.000 1.112 139 S HN 0.326 nan 8.310 nan 0.000 0.502 140 R N 1.140 121.506 120.500 -0.222 0.000 2.686 140 R HA 0.459 4.801 4.340 0.003 0.000 0.283 140 R C -0.345 175.961 176.300 0.010 0.000 0.978 140 R CA -1.125 54.868 56.100 -0.178 0.000 0.897 140 R CB 1.315 31.342 30.300 -0.456 0.000 1.192 140 R HN 0.491 nan 8.270 nan 0.000 0.457 141 F N -0.479 119.382 119.950 -0.148 0.000 2.746 141 F HA 0.462 4.991 4.527 0.003 0.000 0.320 141 F C -0.464 175.303 175.800 -0.055 0.000 1.097 141 F CA -1.097 56.863 58.000 -0.067 0.000 1.195 141 F CB 0.119 39.122 39.000 0.004 0.000 1.056 141 F HN -0.025 nan 8.300 nan 0.000 0.562 142 V N 2.021 121.878 119.914 -0.094 0.000 2.808 142 V HA 0.631 4.753 4.120 0.003 0.000 0.308 142 V C -1.814 174.268 176.094 -0.020 0.000 1.099 142 V CA -0.644 61.479 62.300 -0.294 0.000 0.920 142 V CB 2.647 34.161 31.823 -0.514 0.000 1.014 142 V HN 0.130 nan 8.190 nan 0.000 0.425 143 F N 3.525 123.336 119.950 -0.231 0.000 2.639 143 F HA 0.573 5.102 4.527 0.003 0.000 0.320 143 F C -0.827 174.924 175.800 -0.082 0.000 1.128 143 F CA -1.126 56.804 58.000 -0.116 0.000 1.037 143 F CB 1.985 40.950 39.000 -0.058 0.000 1.288 143 F HN 0.638 nan 8.300 nan 0.000 0.463 144 E N 5.226 125.232 120.200 -0.323 0.000 2.055 144 E HA 0.228 4.580 4.350 0.003 0.000 0.274 144 E C -0.908 175.293 176.600 -0.664 0.000 0.949 144 E CA -0.362 55.822 56.400 -0.361 0.000 0.775 144 E CB 0.987 30.608 29.700 -0.132 0.000 1.097 144 E HN 0.500 nan 8.360 nan 0.000 0.404 145 K N 5.699 125.780 120.400 -0.533 0.000 2.079 145 K HA -0.033 4.289 4.320 0.003 0.000 0.255 145 K C 0.768 177.219 176.600 -0.249 0.000 1.114 145 K CA 0.143 56.163 56.287 -0.445 0.000 1.056 145 K CB 0.101 32.459 32.500 -0.237 0.000 1.176 145 K HN 0.622 nan 8.250 nan 0.000 0.353 146 K N 2.126 122.388 120.400 -0.231 0.000 2.023 146 K HA -0.355 3.967 4.320 0.003 0.000 0.227 146 K C 1.806 178.359 176.600 -0.079 0.000 1.054 146 K CA 1.690 57.913 56.287 -0.107 0.000 0.977 146 K CB -0.392 32.081 32.500 -0.045 0.000 0.733 146 K HN 0.366 nan 8.250 nan 0.000 0.451 147 R N 0.913 121.373 120.500 -0.066 0.000 2.171 147 R HA -0.226 4.116 4.340 0.003 0.000 0.226 147 R C 2.541 178.805 176.300 -0.060 0.000 1.113 147 R CA 2.418 58.487 56.100 -0.052 0.000 0.887 147 R CB -0.233 30.042 30.300 -0.041 0.000 0.830 147 R HN 0.508 nan 8.270 nan 0.000 0.432 148 E N -0.721 119.439 120.200 -0.066 0.000 2.062 148 E HA 0.002 4.353 4.350 0.003 0.000 0.196 148 E C 0.012 176.555 176.600 -0.095 0.000 0.949 148 E CA 0.987 57.345 56.400 -0.071 0.000 0.889 148 E CB -0.236 29.429 29.700 -0.059 0.000 0.928 148 E HN 0.206 nan 8.360 nan 0.000 0.476 149 T N 1.849 116.342 114.554 -0.102 0.000 2.909 149 T HA 0.395 4.747 4.350 0.003 0.000 0.289 149 T C -2.541 172.059 174.700 -0.166 0.000 1.005 149 T CA -2.291 59.724 62.100 -0.142 0.000 1.084 149 T CB 1.117 69.914 68.868 -0.119 0.000 0.975 149 T HN 0.046 nan 8.240 nan 0.000 0.509 150 P HA 0.325 nan 4.420 nan 0.000 0.282 150 P C -1.133 176.063 177.300 -0.174 0.000 1.262 150 P CA -0.412 62.543 63.100 -0.242 0.000 0.773 150 P CB 0.438 31.860 31.700 -0.463 0.000 0.879 151 K N 3.488 123.861 120.400 -0.046 0.000 2.530 151 K HA 0.331 4.653 4.320 0.003 0.000 0.230 151 K C -0.424 176.204 176.600 0.047 0.000 1.002 151 K CA -0.810 55.501 56.287 0.040 0.000 1.014 151 K CB 1.129 33.661 32.500 0.054 0.000 1.286 151 K HN 0.441 nan 8.250 nan 0.000 0.480 152 L N 4.739 126.024 121.223 0.102 0.000 2.290 152 L HA 0.457 4.799 4.340 0.003 0.000 0.284 152 L C -0.916 175.917 176.870 -0.061 0.000 1.078 152 L CA -0.180 54.632 54.840 -0.047 0.000 0.815 152 L CB 0.431 42.404 42.059 -0.143 0.000 1.162 152 L HN 0.477 nan 8.230 nan 0.000 0.435 153 I N 6.183 126.694 120.570 -0.099 0.000 2.465 153 I HA 0.476 4.648 4.170 0.003 0.000 0.291 153 I C -0.614 175.391 176.117 -0.187 0.000 1.014 153 I CA -0.629 60.640 61.300 -0.051 0.000 1.093 153 I CB 1.785 39.809 38.000 0.040 0.000 1.267 153 I HN 0.481 nan 8.210 nan 0.000 0.431 154 I N 4.608 125.055 120.570 -0.205 0.000 3.279 154 I HA 0.565 4.737 4.170 0.003 0.000 0.315 154 I C -0.942 175.222 176.117 0.078 0.000 1.187 154 I CA -0.684 60.500 61.300 -0.193 0.000 0.953 154 I CB 2.127 39.929 38.000 -0.329 0.000 1.279 154 I HN 0.714 nan 8.210 nan 0.000 0.465 155 N N 1.075 119.866 118.700 0.152 0.000 3.127 155 N HA 0.560 5.302 4.740 0.003 0.000 0.239 155 N C -2.062 173.597 175.510 0.249 0.000 1.407 155 N CA -0.365 52.825 53.050 0.234 0.000 0.891 155 N CB 2.279 40.874 38.487 0.180 0.000 1.447 155 N HN 0.363 nan 8.380 nan 0.000 0.507 156 I N -0.108 120.582 120.570 0.201 0.000 2.802 156 I HA 0.409 4.581 4.170 0.003 0.000 0.298 156 I C 0.775 176.946 176.117 0.089 0.000 1.176 156 I CA -0.614 60.787 61.300 0.168 0.000 1.025 156 I CB 2.123 40.189 38.000 0.109 0.000 1.243 156 I HN 0.775 nan 8.210 nan 0.000 0.424 157 K N 2.079 122.526 120.400 0.077 0.000 2.218 157 K HA 0.362 4.684 4.320 0.003 0.000 0.222 157 K C 0.122 176.710 176.600 -0.020 0.000 1.030 157 K CA 1.121 57.425 56.287 0.029 0.000 0.946 157 K CB -0.014 32.511 32.500 0.041 0.000 1.000 157 K HN 0.660 nan 8.250 nan 0.000 0.461 158 D N -1.937 118.468 120.400 0.009 0.000 2.538 158 D HA 0.207 4.849 4.640 0.003 0.000 0.262 158 D C 0.577 176.851 176.300 -0.042 0.000 1.186 158 D CA -0.174 53.823 54.000 -0.005 0.000 1.090 158 D CB 0.116 41.003 40.800 0.146 0.000 1.187 158 D HN 0.120 nan 8.370 nan 0.000 0.614 159 Y N 0.188 120.492 120.300 0.008 0.000 2.632 159 Y HA 0.245 4.797 4.550 0.003 0.000 0.301 159 Y C 1.690 177.600 175.900 0.017 0.000 1.172 159 Y CA 0.181 58.285 58.100 0.006 0.000 1.328 159 Y CB -0.639 37.818 38.460 -0.004 0.000 1.016 159 Y HN 0.190 nan 8.280 nan 0.000 0.529 160 A N -0.128 122.778 122.820 0.143 0.000 2.250 160 A HA 0.023 4.345 4.320 0.003 0.000 0.208 160 A C 1.881 179.520 177.584 0.092 0.000 1.254 160 A CA 0.524 52.624 52.037 0.105 0.000 0.858 160 A CB -1.242 17.809 19.000 0.084 0.000 0.820 160 A HN 0.581 nan 8.150 nan 0.000 0.484 161 I N -0.620 120.008 120.570 0.098 0.000 2.676 161 I HA -0.186 3.986 4.170 0.003 0.000 0.259 161 I C 2.082 178.232 176.117 0.055 0.000 1.194 161 I CA 0.235 61.596 61.300 0.101 0.000 1.473 161 I CB -0.318 37.743 38.000 0.102 0.000 1.096 161 I HN 0.403 nan 8.210 nan 0.000 0.443 162 N N 0.966 119.689 118.700 0.038 0.000 2.020 162 N HA -0.159 4.583 4.740 0.003 0.000 0.191 162 N C 1.876 177.387 175.510 0.002 0.000 1.089 162 N CA 1.679 54.736 53.050 0.013 0.000 0.879 162 N CB -0.602 37.894 38.487 0.016 0.000 1.057 162 N HN 0.111 nan 8.380 nan 0.000 0.428 163 S N 0.545 116.248 115.700 0.006 0.000 2.402 163 S HA -0.261 4.211 4.470 0.003 0.000 0.281 163 S C 0.864 175.461 174.600 -0.005 0.000 1.097 163 S CA 1.458 59.657 58.200 -0.001 0.000 1.368 163 S CB -0.586 62.617 63.200 0.005 0.000 1.255 163 S HN 0.495 nan 8.310 nan 0.000 0.450 164 E N 0.699 120.903 120.200 0.006 0.000 2.081 164 E HA 0.210 4.562 4.350 0.003 0.000 0.281 164 E C -0.119 176.486 176.600 0.010 0.000 0.986 164 E CA -0.258 56.145 56.400 0.006 0.000 0.796 164 E CB 0.659 30.368 29.700 0.016 0.000 1.085 164 E HN 0.252 nan 8.360 nan 0.000 0.398 165 Q N 1.482 121.267 119.800 -0.024 0.000 2.451 165 Q HA -0.010 4.332 4.340 0.003 0.000 0.206 165 Q C 1.600 177.590 176.000 -0.017 0.000 0.947 165 Q CA 0.219 55.996 55.803 -0.044 0.000 0.937 165 Q CB 0.336 28.981 28.738 -0.156 0.000 1.025 165 Q HN 0.437 nan 8.270 nan 0.000 0.511 166 S N 0.738 116.445 115.700 0.012 0.000 2.571 166 S HA -0.186 4.286 4.470 0.003 0.000 0.245 166 S C 1.478 176.104 174.600 0.042 0.000 0.976 166 S CA 1.326 59.543 58.200 0.028 0.000 0.954 166 S CB 0.036 63.262 63.200 0.043 0.000 0.756 166 S HN 0.536 nan 8.310 nan 0.000 0.535 167 K N 0.165 120.631 120.400 0.110 0.000 2.240 167 K HA 0.215 4.537 4.320 0.003 0.000 0.202 167 K C 2.006 178.853 176.600 0.411 0.000 1.053 167 K CA 0.512 56.958 56.287 0.266 0.000 0.973 167 K CB -0.670 31.949 32.500 0.199 0.000 0.924 167 K HN 0.339 nan 8.250 nan 0.000 0.477 168 E N 1.638 121.999 120.200 0.268 0.000 2.268 168 E HA -0.118 4.234 4.350 0.003 0.000 0.195 168 E C 1.765 178.483 176.600 0.198 0.000 0.995 168 E CA 0.437 56.986 56.400 0.249 0.000 0.836 168 E CB 0.134 29.909 29.700 0.125 0.000 0.763 168 E HN 0.191 nan 8.360 nan 0.000 0.491 169 V N 0.321 120.286 119.914 0.086 0.000 2.982 169 V HA -0.220 3.902 4.120 0.003 0.000 0.265 169 V C 1.030 177.149 176.094 0.042 0.000 1.122 169 V CA 1.521 63.841 62.300 0.033 0.000 1.143 169 V CB -0.542 31.260 31.823 -0.034 0.000 0.726 169 V HN 0.426 nan 8.190 nan 0.000 0.507 170 Y N -2.412 118.059 120.300 0.283 0.000 2.503 170 Y HA -0.016 4.536 4.550 0.003 0.000 0.278 170 Y C 2.021 178.037 175.900 0.194 0.000 1.111 170 Y CA 0.886 59.136 58.100 0.251 0.000 1.270 170 Y CB 0.029 38.661 38.460 0.286 0.000 1.063 170 Y HN 0.350 nan 8.280 nan 0.000 0.548 171 Y N 1.272 121.679 120.300 0.177 0.000 2.574 171 Y HA -0.160 4.391 4.550 0.003 0.000 0.294 171 Y C 1.435 177.393 175.900 0.096 0.000 1.142 171 Y CA 1.009 59.137 58.100 0.047 0.000 1.314 171 Y CB -0.070 38.387 38.460 -0.005 0.000 0.991 171 Y HN 0.128 nan 8.280 nan 0.000 0.555 172 E N -0.371 120.071 120.200 0.404 0.000 2.094 172 E HA 0.000 4.352 4.350 0.003 0.000 0.193 172 E C 2.210 179.008 176.600 0.330 0.000 0.950 172 E CA 0.916 57.578 56.400 0.437 0.000 0.842 172 E CB -0.431 29.601 29.700 0.554 0.000 0.816 172 E HN 0.453 nan 8.360 nan 0.000 0.465 173 I N 0.317 121.102 120.570 0.359 0.000 2.142 173 I HA -0.155 4.016 4.170 0.003 0.000 0.240 173 I C 2.038 178.299 176.117 0.240 0.000 1.078 173 I CA 1.892 63.384 61.300 0.321 0.000 1.343 173 I CB -0.467 37.766 38.000 0.389 0.000 1.046 173 I HN 0.231 nan 8.210 nan 0.000 0.405 174 G N 0.897 109.858 108.800 0.268 0.000 2.532 174 G HA2 -0.359 3.603 3.960 0.003 0.000 0.222 174 G HA3 -0.359 3.603 3.960 0.003 0.000 0.222 174 G C 1.658 176.576 174.900 0.029 0.000 1.102 174 G CA 1.371 46.560 45.100 0.148 0.000 0.742 174 G HN 0.526 nan 8.290 nan 0.000 0.577 175 K N -0.408 120.006 120.400 0.022 0.000 2.107 175 K HA 0.216 4.538 4.320 0.003 0.000 0.211 175 K C 2.654 179.175 176.600 -0.131 0.000 1.024 175 K CA 0.898 57.115 56.287 -0.117 0.000 0.953 175 K CB -0.838 31.578 32.500 -0.140 0.000 0.831 175 K HN 0.070 nan 8.250 nan 0.000 0.454 176 G N 3.036 111.723 108.800 -0.187 0.000 2.917 176 G HA2 -0.384 3.578 3.960 0.003 0.000 0.249 176 G HA3 -0.384 3.578 3.960 0.003 0.000 0.249 176 G C 1.459 176.378 174.900 0.032 0.000 1.101 176 G CA 2.348 47.382 45.100 -0.111 0.000 0.732 176 G HN 0.547 nan 8.290 nan 0.000 0.650 177 I N 1.688 122.301 120.570 0.072 0.000 2.462 177 I HA -0.216 3.956 4.170 0.003 0.000 0.259 177 I C 2.863 178.999 176.117 0.032 0.000 1.156 177 I CA 1.474 62.812 61.300 0.064 0.000 1.417 177 I CB -0.955 37.092 38.000 0.078 0.000 1.088 177 I HN 0.412 nan 8.210 nan 0.000 0.442 178 S N 3.818 119.538 115.700 0.034 0.000 2.436 178 S HA -0.174 4.298 4.470 0.003 0.000 0.208 178 S C 2.012 176.654 174.600 0.069 0.000 1.063 178 S CA 1.262 59.532 58.200 0.117 0.000 1.120 178 S CB -1.183 62.164 63.200 0.246 0.000 1.053 178 S HN 0.625 nan 8.310 nan 0.000 0.407 179 L N 1.642 122.898 121.223 0.054 0.000 1.961 179 L HA -0.108 4.234 4.340 0.003 0.000 0.210 179 L C 2.494 179.313 176.870 -0.084 0.000 1.072 179 L CA 2.139 56.974 54.840 -0.007 0.000 0.749 179 L CB -1.914 40.122 42.059 -0.038 0.000 0.889 179 L HN 0.509 nan 8.230 nan 0.000 0.432 180 D N 1.702 122.045 120.400 -0.096 0.000 3.146 180 D HA -0.434 4.208 4.640 0.003 0.000 0.362 180 D C 1.974 178.073 176.300 -0.336 0.000 1.082 180 D CA 2.936 56.714 54.000 -0.370 0.000 1.135 180 D CB -1.143 39.660 40.800 0.006 0.000 1.068 180 D HN 0.615 nan 8.370 nan 0.000 0.500 181 I N -0.595 119.879 120.570 -0.160 0.000 2.730 181 I HA -0.182 3.990 4.170 0.003 0.000 0.266 181 I C 1.639 177.687 176.117 -0.116 0.000 1.228 181 I CA 1.124 62.353 61.300 -0.119 0.000 1.445 181 I CB -0.049 37.909 38.000 -0.069 0.000 1.102 181 I HN 0.285 nan 8.210 nan 0.000 0.464 182 I N -1.212 119.282 120.570 -0.128 0.000 4.390 182 I HA 0.118 4.290 4.170 0.003 0.000 0.334 182 I C 0.962 177.019 176.117 -0.101 0.000 1.379 182 I CA 0.148 61.390 61.300 -0.096 0.000 1.197 182 I CB -0.013 37.942 38.000 -0.075 0.000 1.396 182 I HN 0.065 nan 8.210 nan 0.000 0.511 183 S N 0.917 116.512 115.700 -0.175 0.000 2.393 183 S HA 0.107 4.579 4.470 0.003 0.000 0.255 183 S C 1.335 175.813 174.600 -0.204 0.000 1.210 183 S CA 0.523 58.612 58.200 -0.186 0.000 1.013 183 S CB 1.172 64.167 63.200 -0.342 0.000 1.055 183 S HN 0.313 nan 8.310 nan 0.000 0.483 184 K N 0.752 121.016 120.400 -0.226 0.000 2.166 184 K HA 0.071 4.393 4.320 0.003 0.000 0.201 184 K C 1.530 178.092 176.600 -0.064 0.000 1.052 184 K CA 1.422 57.675 56.287 -0.056 0.000 0.969 184 K CB -0.787 31.775 32.500 0.104 0.000 0.761 184 K HN 0.500 nan 8.250 nan 0.000 0.459 185 D N 1.254 121.559 120.400 -0.159 0.000 2.633 185 D HA -0.280 4.362 4.640 0.003 0.000 0.206 185 D C 0.552 176.808 176.300 -0.073 0.000 1.055 185 D CA 1.757 55.709 54.000 -0.081 0.000 0.903 185 D CB -0.004 40.726 40.800 -0.117 0.000 1.115 185 D HN 0.295 nan 8.370 nan 0.000 0.479 186 K N -0.272 120.069 120.400 -0.100 0.000 3.135 186 K HA 0.204 4.526 4.320 0.003 0.000 0.210 186 K C 0.763 177.323 176.600 -0.068 0.000 1.176 186 K CA -0.104 56.141 56.287 -0.070 0.000 1.064 186 K CB 0.234 32.696 32.500 -0.063 0.000 1.009 186 K HN 0.023 nan 8.250 nan 0.000 0.472 187 S N 0.371 116.033 115.700 -0.063 0.000 2.315 187 S HA 0.081 4.553 4.470 0.003 0.000 0.211 187 S C 1.237 175.822 174.600 -0.026 0.000 1.029 187 S CA 0.346 58.516 58.200 -0.051 0.000 0.956 187 S CB 0.016 63.188 63.200 -0.046 0.000 0.918 187 S HN 0.378 nan 8.310 nan 0.000 0.470 188 L N 0.767 121.986 121.223 -0.007 0.000 2.635 188 L HA 0.446 4.788 4.340 0.003 0.000 0.144 188 L C 0.523 177.394 176.870 0.001 0.000 1.632 188 L CA -0.481 54.360 54.840 0.001 0.000 2.943 188 L CB -0.573 41.495 42.059 0.014 0.000 3.002 188 L HN 0.221 nan 8.230 nan 0.000 0.812 189 D N -0.831 119.580 120.400 0.017 0.000 2.539 189 D HA 0.253 4.895 4.640 0.003 0.000 0.280 189 D C -2.526 173.778 176.300 0.007 0.000 1.208 189 D CA -1.099 52.907 54.000 0.009 0.000 1.088 189 D CB -0.020 40.793 40.800 0.022 0.000 1.149 189 D HN 0.185 nan 8.370 nan 0.000 0.596 190 P HA -0.007 nan 4.420 nan 0.000 0.248 190 P C -0.919 176.380 177.300 -0.001 0.000 1.254 190 P CA 0.491 63.556 63.100 -0.058 0.000 1.252 190 P CB -0.026 31.602 31.700 -0.121 0.000 1.465 191 E N 2.227 122.453 120.200 0.044 0.000 2.324 191 E HA 0.050 4.402 4.350 0.003 0.000 0.271 191 E C 1.032 177.741 176.600 0.181 0.000 1.028 191 E CA -0.374 56.114 56.400 0.146 0.000 0.890 191 E CB 0.097 29.869 29.700 0.119 0.000 1.004 191 E HN 0.288 nan 8.360 nan 0.000 0.431 192 F N 1.740 121.670 119.950 -0.033 0.000 2.204 192 F HA -0.300 4.229 4.527 0.003 0.000 0.301 192 F C 1.967 177.743 175.800 -0.039 0.000 1.058 192 F CA 0.911 58.888 58.000 -0.039 0.000 1.313 192 F CB -0.686 38.298 39.000 -0.026 0.000 1.051 192 F HN 0.464 nan 8.300 nan 0.000 0.505 193 L N -0.459 120.870 121.223 0.176 0.000 2.017 193 L HA -0.261 4.081 4.340 0.003 0.000 0.208 193 L C 2.521 179.387 176.870 -0.008 0.000 1.073 193 L CA 1.884 56.784 54.840 0.100 0.000 0.745 193 L CB -0.607 41.538 42.059 0.143 0.000 0.894 193 L HN 0.238 nan 8.230 nan 0.000 0.432 194 N N 0.112 118.809 118.700 -0.005 0.000 2.415 194 N HA -0.114 4.628 4.740 0.003 0.000 0.176 194 N C 1.813 177.217 175.510 -0.177 0.000 1.042 194 N CA 0.454 53.430 53.050 -0.123 0.000 0.902 194 N CB 0.304 38.809 38.487 0.031 0.000 0.986 194 N HN 0.166 nan 8.380 nan 0.000 0.447 195 L N 1.222 122.349 121.223 -0.159 0.000 2.156 195 L HA 0.141 4.483 4.340 0.003 0.000 0.208 195 L C 1.920 178.648 176.870 -0.237 0.000 1.095 195 L CA 1.162 55.842 54.840 -0.267 0.000 0.770 195 L CB -0.436 41.401 42.059 -0.371 0.000 0.914 195 L HN 0.108 nan 8.230 nan 0.000 0.439 196 I N -1.204 119.278 120.570 -0.147 0.000 2.400 196 I HA -0.117 4.055 4.170 0.003 0.000 0.248 196 I C 2.232 178.293 176.117 -0.093 0.000 1.109 196 I CA 0.358 61.603 61.300 -0.091 0.000 1.425 196 I CB -0.368 37.624 38.000 -0.013 0.000 1.094 196 I HN 0.093 nan 8.210 nan 0.000 0.425 197 K N 0.744 121.057 120.400 -0.144 0.000 2.209 197 K HA -0.110 4.212 4.320 0.003 0.000 0.204 197 K C 2.054 178.583 176.600 -0.118 0.000 1.048 197 K CA 1.049 57.226 56.287 -0.184 0.000 0.940 197 K CB -0.279 31.948 32.500 -0.456 0.000 0.729 197 K HN 0.117 nan 8.250 nan 0.000 0.451 198 S N 0.186 115.799 115.700 -0.145 0.000 2.607 198 S HA 0.075 4.547 4.470 0.003 0.000 0.224 198 S C 1.246 175.838 174.600 -0.015 0.000 0.969 198 S CA -0.009 58.130 58.200 -0.103 0.000 0.927 198 S CB 0.005 62.965 63.200 -0.400 0.000 0.772 198 S HN 0.261 nan 8.310 nan 0.000 0.533 199 L N 1.130 122.352 121.223 -0.002 0.000 2.741 199 L HA 0.293 4.635 4.340 0.003 0.000 0.237 199 L C 1.639 178.586 176.870 0.129 0.000 1.178 199 L CA -0.012 54.862 54.840 0.056 0.000 0.973 199 L CB 0.120 42.183 42.059 0.008 0.000 1.255 199 L HN 0.243 nan 8.230 nan 0.000 0.498 200 S N -0.472 115.332 115.700 0.173 0.000 2.786 200 S HA -0.096 4.376 4.470 0.003 0.000 0.223 200 S C 1.233 176.046 174.600 0.356 0.000 0.956 200 S CA 0.192 58.514 58.200 0.203 0.000 0.961 200 S CB -0.211 63.101 63.200 0.186 0.000 0.784 200 S HN 0.422 nan 8.310 nan 0.000 0.519 201 D N 2.482 123.133 120.400 0.418 0.000 2.137 201 D HA -0.142 4.499 4.640 0.003 0.000 0.193 201 D C 0.703 177.267 176.300 0.440 0.000 0.993 201 D CA 2.077 56.501 54.000 0.705 0.000 0.846 201 D CB 0.109 41.174 40.800 0.442 0.000 0.990 201 D HN 0.737 nan 8.370 nan 0.000 0.448 202 D N -2.555 117.978 120.400 0.222 0.000 3.285 202 D HA 0.113 4.755 4.640 0.003 0.000 0.314 202 D C 0.252 176.588 176.300 0.060 0.000 1.601 202 D CA 0.299 54.348 54.000 0.081 0.000 0.772 202 D CB -0.182 40.644 40.800 0.043 0.000 1.312 202 D HN 0.129 nan 8.370 nan 0.000 0.550 203 S N -1.027 114.716 115.700 0.071 0.000 2.942 203 S HA 0.064 4.536 4.470 0.003 0.000 0.220 203 S C 1.403 176.025 174.600 0.037 0.000 0.945 203 S CA 0.291 58.520 58.200 0.049 0.000 0.851 203 S CB -0.126 63.105 63.200 0.052 0.000 0.820 203 S HN -0.034 nan 8.310 nan 0.000 0.624 204 D N 2.167 122.592 120.400 0.042 0.000 2.137 204 D HA -0.017 4.625 4.640 0.003 0.000 0.193 204 D C 1.127 177.443 176.300 0.026 0.000 0.993 204 D CA 1.496 55.516 54.000 0.034 0.000 0.846 204 D CB -0.550 40.274 40.800 0.039 0.000 0.990 204 D HN 0.449 nan 8.370 nan 0.000 0.448 205 S N -0.834 114.883 115.700 0.028 0.000 2.616 205 S HA 0.157 4.629 4.470 0.003 0.000 0.277 205 S C 0.573 175.170 174.600 -0.005 0.000 1.234 205 S CA -0.540 57.669 58.200 0.014 0.000 1.028 205 S CB 1.307 64.519 63.200 0.020 0.000 0.988 205 S HN -0.024 nan 8.310 nan 0.000 0.522 206 S N 2.881 118.570 115.700 -0.018 0.000 2.954 206 S HA 0.102 4.574 4.470 0.003 0.000 0.234 206 S C -0.480 174.083 174.600 -0.062 0.000 0.978 206 S CA 0.054 58.233 58.200 -0.036 0.000 1.045 206 S CB -0.500 62.679 63.200 -0.034 0.000 0.807 206 S HN 0.586 nan 8.310 nan 0.000 0.508 207 D N 1.766 122.130 120.400 -0.061 0.000 2.462 207 D HA 0.236 4.878 4.640 0.003 0.000 0.249 207 D C -0.594 175.616 176.300 -0.149 0.000 1.117 207 D CA -0.296 53.646 54.000 -0.097 0.000 0.900 207 D CB 1.234 41.998 40.800 -0.060 0.000 1.039 207 D HN 0.115 nan 8.370 nan 0.000 0.516 208 L N 2.652 123.734 121.223 -0.236 0.000 3.036 208 L HA 0.220 4.562 4.340 0.003 0.000 0.237 208 L C 0.194 176.707 176.870 -0.596 0.000 1.319 208 L CA -0.072 54.499 54.840 -0.448 0.000 1.112 208 L CB -0.044 41.830 42.059 -0.308 0.000 1.480 208 L HN 0.156 nan 8.230 nan 0.000 0.506 209 L N 1.741 122.719 121.223 -0.409 0.000 2.504 209 L HA 0.366 4.708 4.340 0.003 0.000 0.249 209 L C -0.397 176.469 176.870 -0.006 0.000 1.120 209 L CA -0.114 54.579 54.840 -0.246 0.000 0.997 209 L CB -0.079 41.807 42.059 -0.290 0.000 1.349 209 L HN 0.231 nan 8.230 nan 0.000 0.439 210 F N -0.388 119.619 119.950 0.096 0.000 2.761 210 F HA 0.442 4.971 4.527 0.003 0.000 0.367 210 F C 0.905 176.719 175.800 0.024 0.000 1.386 210 F CA -1.289 56.727 58.000 0.026 0.000 1.177 210 F CB -0.605 38.385 39.000 -0.017 0.000 1.092 210 F HN 0.197 nan 8.300 nan 0.000 0.517 211 S N 0.744 116.670 115.700 0.376 0.000 2.768 211 S HA 0.085 4.557 4.470 0.003 0.000 0.246 211 S C 1.137 175.802 174.600 0.109 0.000 1.006 211 S CA 0.170 58.527 58.200 0.263 0.000 1.075 211 S CB -0.266 63.063 63.200 0.215 0.000 0.786 211 S HN 0.699 nan 8.310 nan 0.000 0.468 212 Q N 0.409 120.222 119.800 0.023 0.000 2.471 212 Q HA 0.174 4.516 4.340 0.003 0.000 0.241 212 Q C 1.504 177.430 176.000 -0.123 0.000 0.886 212 Q CA 0.068 55.800 55.803 -0.118 0.000 0.953 212 Q CB -0.088 28.482 28.738 -0.280 0.000 1.108 212 Q HN 0.601 nan 8.270 nan 0.000 0.575 213 K N -0.407 119.881 120.400 -0.186 0.000 2.464 213 K HA 0.266 4.588 4.320 0.003 0.000 0.206 213 K C 0.160 176.841 176.600 0.134 0.000 1.186 213 K CA -0.132 56.072 56.287 -0.139 0.000 0.990 213 K CB 0.553 32.830 32.500 -0.371 0.000 1.003 213 K HN -0.013 nan 8.250 nan 0.000 0.562 214 F N 2.024 121.927 119.950 -0.078 0.000 2.438 214 F HA 0.366 4.895 4.527 0.003 0.000 0.315 214 F C 1.038 176.801 175.800 -0.062 0.000 1.258 214 F CA -1.011 56.880 58.000 -0.182 0.000 1.180 214 F CB 1.052 39.717 39.000 -0.558 0.000 1.412 214 F HN -0.051 nan 8.300 nan 0.000 0.544 215 K N 1.727 122.217 120.400 0.151 0.000 2.267 215 K HA 0.004 4.326 4.320 0.003 0.000 0.213 215 K C 1.703 178.341 176.600 0.064 0.000 1.060 215 K CA 0.984 57.337 56.287 0.110 0.000 0.935 215 K CB 0.024 32.575 32.500 0.085 0.000 1.096 215 K HN 0.414 nan 8.250 nan 0.000 0.468 216 E N -0.288 119.935 120.200 0.039 0.000 2.478 216 E HA 0.016 4.368 4.350 0.003 0.000 0.194 216 E C 0.881 177.480 176.600 -0.002 0.000 1.045 216 E CA 0.448 56.858 56.400 0.016 0.000 0.868 216 E CB 0.329 30.033 29.700 0.006 0.000 0.885 216 E HN 0.023 nan 8.360 nan 0.000 0.505 217 K N 0.186 120.579 120.400 -0.012 0.000 2.435 217 K HA 0.177 4.499 4.320 0.003 0.000 0.199 217 K C 0.219 176.747 176.600 -0.120 0.000 1.153 217 K CA -0.034 56.219 56.287 -0.057 0.000 0.974 217 K CB 0.972 33.430 32.500 -0.069 0.000 0.997 217 K HN 0.109 nan 8.250 nan 0.000 0.547 218 L N 2.650 123.799 121.223 -0.123 0.000 2.678 218 L HA 0.197 4.539 4.340 0.003 0.000 0.250 218 L C 0.204 177.048 176.870 -0.044 0.000 1.455 218 L CA 0.134 54.859 54.840 -0.191 0.000 0.823 218 L CB 0.339 42.079 42.059 -0.531 0.000 1.107 218 L HN 0.093 nan 8.230 nan 0.000 0.514 219 E N 0.258 120.458 120.200 0.000 0.000 2.465 219 E HA 0.051 4.403 4.350 0.003 0.000 0.195 219 E C 0.397 177.015 176.600 0.030 0.000 1.028 219 E CA -0.304 56.137 56.400 0.068 0.000 0.899 219 E CB 0.288 30.020 29.700 0.054 0.000 1.032 219 E HN 0.373 nan 8.360 nan 0.000 0.468 220 L N 2.190 123.393 121.223 -0.033 0.000 2.648 220 L HA 0.229 4.571 4.340 0.003 0.000 0.238 220 L C 0.307 177.157 176.870 -0.034 0.000 1.316 220 L CA -0.117 54.672 54.840 -0.085 0.000 1.241 220 L CB -0.390 41.534 42.059 -0.224 0.000 1.499 220 L HN -0.019 nan 8.230 nan 0.000 0.411 221 N N 0.606 119.341 118.700 0.059 0.000 2.494 221 N HA -0.008 4.734 4.740 0.003 0.000 0.182 221 N C -0.073 175.468 175.510 0.051 0.000 1.076 221 N CA 0.389 53.511 53.050 0.121 0.000 0.908 221 N CB 0.059 38.646 38.487 0.166 0.000 0.967 221 N HN 0.578 nan 8.380 nan 0.000 0.449 222 N N 1.579 120.282 118.700 0.005 0.000 2.802 222 N HA 0.030 4.772 4.740 0.003 0.000 0.288 222 N C -0.242 175.237 175.510 -0.051 0.000 1.268 222 N CA 0.254 53.295 53.050 -0.015 0.000 1.035 222 N CB 0.468 38.945 38.487 -0.018 0.000 1.353 222 N HN -0.032 nan 8.380 nan 0.000 0.522 223 K N 0.891 121.258 120.400 -0.055 0.000 2.599 223 K HA 0.050 4.372 4.320 0.003 0.000 0.300 223 K C -1.057 175.517 176.600 -0.043 0.000 1.437 223 K CA -0.108 56.125 56.287 -0.091 0.000 0.989 223 K CB -0.104 32.264 32.500 -0.220 0.000 1.423 223 K HN -0.056 nan 8.250 nan 0.000 0.507 224 S N 3.372 119.078 115.700 0.010 0.000 2.626 224 S HA 0.045 4.517 4.470 0.003 0.000 0.303 224 S C 0.866 175.516 174.600 0.085 0.000 1.256 224 S CA 0.199 58.428 58.200 0.049 0.000 1.069 224 S CB -0.000 63.222 63.200 0.037 0.000 0.807 224 S HN 0.341 nan 8.310 nan 0.000 0.500 225 I N 3.693 124.343 120.570 0.134 0.000 2.342 225 I HA 0.410 4.582 4.170 0.003 0.000 0.291 225 I C 0.474 176.612 176.117 0.035 0.000 1.010 225 I CA 0.001 61.431 61.300 0.216 0.000 1.308 225 I CB 0.941 39.115 38.000 0.292 0.000 1.400 225 I HN 0.571 nan 8.210 nan 0.000 0.488 226 D N 3.285 123.689 120.400 0.007 0.000 3.734 226 D HA 0.291 4.933 4.640 0.003 0.000 0.350 226 D C 0.714 176.943 176.300 -0.119 0.000 1.511 226 D CA -0.527 53.405 54.000 -0.114 0.000 0.956 226 D CB 0.538 41.283 40.800 -0.092 0.000 1.470 226 D HN 0.301 nan 8.370 nan 0.000 0.598 227 I N 1.099 121.583 120.570 -0.142 0.000 3.164 227 I HA -0.159 4.013 4.170 0.003 0.000 0.278 227 I C 0.961 177.058 176.117 -0.033 0.000 1.320 227 I CA 0.790 62.023 61.300 -0.111 0.000 1.422 227 I CB -0.535 37.402 38.000 -0.105 0.000 1.066 227 I HN 0.108 nan 8.210 nan 0.000 0.503 228 N N 0.376 119.082 118.700 0.010 0.000 2.376 228 N HA -0.072 4.669 4.740 0.003 0.000 0.177 228 N C 1.298 176.897 175.510 0.148 0.000 1.024 228 N CA 0.983 54.071 53.050 0.063 0.000 0.893 228 N CB 0.043 38.566 38.487 0.061 0.000 0.980 228 N HN 0.461 nan 8.380 nan 0.000 0.439 229 F N -0.373 119.559 119.950 -0.030 0.000 2.334 229 F HA 0.389 4.918 4.527 0.003 0.000 0.269 229 F C 1.541 177.360 175.800 0.031 0.000 0.879 229 F CA -0.476 57.524 58.000 0.000 0.000 1.102 229 F CB -0.619 38.386 39.000 0.008 0.000 1.032 229 F HN -0.138 nan 8.300 nan 0.000 0.782 230 I N 1.958 122.095 120.570 -0.721 0.000 2.292 230 I HA -0.489 3.683 4.170 0.003 0.000 0.255 230 I C 1.872 177.744 176.117 -0.409 0.000 1.078 230 I CA 2.172 63.031 61.300 -0.735 0.000 1.365 230 I CB -0.225 37.420 38.000 -0.591 0.000 1.049 230 I HN 0.336 nan 8.210 nan 0.000 0.439 231 K N 0.274 120.515 120.400 -0.264 0.000 1.969 231 K HA -0.294 4.028 4.320 0.003 0.000 0.216 231 K C 1.811 178.343 176.600 -0.114 0.000 1.048 231 K CA 1.871 58.075 56.287 -0.139 0.000 0.948 231 K CB -0.537 31.915 32.500 -0.080 0.000 0.726 231 K HN 0.234 nan 8.250 nan 0.000 0.442 232 E N 1.418 121.569 120.200 -0.081 0.000 2.464 232 E HA -0.256 4.096 4.350 0.003 0.000 0.250 232 E C 0.080 176.672 176.600 -0.014 0.000 1.063 232 E CA 2.085 58.485 56.400 0.001 0.000 1.155 232 E CB -0.206 29.582 29.700 0.146 0.000 1.041 232 E HN 0.289 nan 8.360 nan 0.000 0.495 233 N N 0.601 119.261 118.700 -0.067 0.000 3.040 233 N HA 0.118 4.860 4.740 0.003 0.000 0.305 233 N C 0.996 176.461 175.510 -0.075 0.000 1.611 233 N CA 0.326 53.339 53.050 -0.061 0.000 1.049 233 N CB 0.316 38.772 38.487 -0.052 0.000 1.342 233 N HN 0.361 nan 8.380 nan 0.000 0.497 234 L N -0.651 120.560 121.223 -0.021 0.000 1.978 234 L HA -0.212 4.130 4.340 0.003 0.000 0.218 234 L C 2.414 179.278 176.870 -0.010 0.000 1.075 234 L CA 2.156 57.014 54.840 0.029 0.000 0.767 234 L CB -1.918 40.134 42.059 -0.012 0.000 0.890 234 L HN 0.177 nan 8.230 nan 0.000 0.434 235 T N -2.196 112.316 114.554 -0.070 0.000 2.680 235 T HA -0.345 4.007 4.350 0.003 0.000 0.268 235 T C 1.787 176.259 174.700 -0.380 0.000 1.033 235 T CA 1.972 63.964 62.100 -0.180 0.000 1.152 235 T CB -0.781 68.031 68.868 -0.093 0.000 0.859 235 T HN 0.671 nan 8.240 nan 0.000 0.452 236 E N 0.101 120.190 120.200 -0.186 0.000 2.058 236 E HA -0.128 4.224 4.350 0.003 0.000 0.194 236 E C 1.457 177.985 176.600 -0.120 0.000 0.997 236 E CA 1.203 57.552 56.400 -0.086 0.000 0.801 236 E CB -0.261 29.266 29.700 -0.289 0.000 0.746 236 E HN 0.659 nan 8.360 nan 0.000 0.450 237 F N 1.153 121.111 119.950 0.013 0.000 2.805 237 F HA 0.010 4.538 4.527 0.003 0.000 0.301 237 F C 2.162 178.024 175.800 0.104 0.000 1.196 237 F CA 0.588 58.645 58.000 0.094 0.000 1.439 237 F CB 0.002 38.995 39.000 -0.012 0.000 1.117 237 F HN 0.091 nan 8.300 nan 0.000 0.581 238 Q N -1.194 118.655 119.800 0.082 0.000 2.287 238 Q HA -0.050 4.291 4.340 0.003 0.000 0.201 238 Q C 1.909 177.999 176.000 0.150 0.000 0.946 238 Q CA 0.518 56.364 55.803 0.072 0.000 0.868 238 Q CB -0.251 28.422 28.738 -0.109 0.000 0.967 238 Q HN 0.427 nan 8.270 nan 0.000 0.516 239 H N 0.854 120.050 119.070 0.211 0.000 2.466 239 H HA -0.122 4.436 4.556 0.003 0.000 0.297 239 H C 1.897 177.343 175.328 0.197 0.000 1.113 239 H CA 1.451 57.612 56.048 0.189 0.000 1.273 239 H CB -0.195 29.651 29.762 0.140 0.000 1.371 239 H HN 0.317 nan 8.280 nan 0.000 0.528 240 A N 0.870 123.894 122.820 0.341 0.000 1.855 240 A HA -0.108 4.214 4.320 0.003 0.000 0.213 240 A C 2.246 179.999 177.584 0.282 0.000 1.195 240 A CA 0.808 52.998 52.037 0.254 0.000 0.610 240 A CB -1.025 18.187 19.000 0.353 0.000 0.837 240 A HN 0.303 nan 8.150 nan 0.000 0.444 241 F N 1.568 121.666 119.950 0.247 0.000 2.307 241 F HA -0.162 4.367 4.527 0.003 0.000 0.301 241 F C 2.297 178.276 175.800 0.299 0.000 1.076 241 F CA 1.512 59.680 58.000 0.279 0.000 1.383 241 F CB 0.049 39.198 39.000 0.249 0.000 1.055 241 F HN 0.210 nan 8.300 nan 0.000 0.526 242 S N 0.609 116.519 115.700 0.350 0.000 2.315 242 S HA -0.045 4.427 4.470 0.003 0.000 0.211 242 S C 1.947 176.737 174.600 0.316 0.000 1.029 242 S CA 1.046 59.440 58.200 0.323 0.000 0.956 242 S CB -0.755 62.635 63.200 0.318 0.000 0.918 242 S HN 0.313 nan 8.310 nan 0.000 0.470 243 L N 1.538 122.908 121.223 0.244 0.000 2.351 243 L HA -0.156 4.186 4.340 0.003 0.000 0.220 243 L C 2.565 179.507 176.870 0.120 0.000 1.127 243 L CA 0.892 55.834 54.840 0.170 0.000 0.786 243 L CB -0.754 41.294 42.059 -0.019 0.000 0.914 243 L HN 0.338 nan 8.230 nan 0.000 0.443 244 A N 0.081 122.970 122.820 0.116 0.000 1.855 244 A HA -0.197 4.125 4.320 0.003 0.000 0.213 244 A C 2.121 179.828 177.584 0.206 0.000 1.195 244 A CA 0.986 53.082 52.037 0.099 0.000 0.610 244 A CB -0.748 18.278 19.000 0.043 0.000 0.837 244 A HN 0.338 nan 8.150 nan 0.000 0.444 245 F N 2.332 122.300 119.950 0.030 0.000 2.095 245 F HA -0.243 4.286 4.527 0.003 0.000 0.298 245 F C 2.751 178.783 175.800 0.387 0.000 1.104 245 F CA 2.205 60.309 58.000 0.172 0.000 1.232 245 F CB -0.383 38.666 39.000 0.082 0.000 0.987 245 F HN 0.315 nan 8.300 nan 0.000 0.475 246 S N -0.738 115.318 115.700 0.593 0.000 2.383 246 S HA -0.275 4.197 4.470 0.003 0.000 0.229 246 S C 1.937 176.781 174.600 0.406 0.000 1.030 246 S CA 1.466 59.972 58.200 0.509 0.000 1.002 246 S CB -1.358 62.137 63.200 0.492 0.000 0.829 246 S HN 0.488 nan 8.310 nan 0.000 0.467 247 Y N 0.170 120.589 120.300 0.198 0.000 2.286 247 Y HA 0.149 4.701 4.550 0.003 0.000 0.293 247 Y C 2.336 178.290 175.900 0.090 0.000 1.124 247 Y CA 0.334 58.546 58.100 0.187 0.000 1.178 247 Y CB -0.939 37.570 38.460 0.081 0.000 1.010 247 Y HN 0.399 nan 8.280 nan 0.000 0.536 248 Y N -1.445 118.858 120.300 0.005 0.000 2.497 248 Y HA -0.154 4.398 4.550 0.003 0.000 0.292 248 Y C 1.100 176.651 175.900 -0.581 0.000 1.137 248 Y CA 1.404 59.316 58.100 -0.314 0.000 1.285 248 Y CB -0.271 37.846 38.460 -0.571 0.000 0.991 248 Y HN 0.067 nan 8.280 nan 0.000 0.556 249 F N -1.052 118.852 119.950 -0.077 0.000 2.740 249 F HA 0.406 4.935 4.527 0.003 0.000 0.304 249 F C 1.517 177.231 175.800 -0.144 0.000 1.098 249 F CA -0.058 57.840 58.000 -0.170 0.000 1.258 249 F CB -0.374 38.407 39.000 -0.365 0.000 1.061 249 F HN -0.100 nan 8.300 nan 0.000 0.598 250 A N 2.801 125.645 122.820 0.039 0.000 2.609 250 A HA -0.035 4.287 4.320 0.003 0.000 0.232 250 A C -1.136 176.334 177.584 -0.190 0.000 1.041 250 A CA -0.582 51.377 52.037 -0.130 0.000 0.753 250 A CB -0.443 18.313 19.000 -0.408 0.000 0.966 250 A HN 0.145 nan 8.150 nan 0.000 0.510 251 P HA -0.186 nan 4.420 nan 0.000 0.217 251 P C 0.470 177.650 177.300 -0.200 0.000 1.150 251 P CA 1.788 64.797 63.100 -0.151 0.000 0.832 251 P CB 0.064 31.692 31.700 -0.121 0.000 0.787 252 D N 0.574 120.776 120.400 -0.329 0.000 2.454 252 D HA -0.108 4.534 4.640 0.003 0.000 0.247 252 D C 0.595 176.724 176.300 -0.285 0.000 1.143 252 D CA 0.554 54.368 54.000 -0.309 0.000 0.972 252 D CB -1.792 38.811 40.800 -0.328 0.000 1.070 252 D HN 0.274 nan 8.370 nan 0.000 0.433 253 H N 0.747 119.691 119.070 -0.211 0.000 3.157 253 H HA 0.393 4.951 4.556 0.003 0.000 0.260 253 H C 1.133 176.327 175.328 -0.223 0.000 1.232 253 H CA -0.508 55.397 56.048 -0.238 0.000 1.488 253 H CB 0.475 30.020 29.762 -0.362 0.000 1.548 253 H HN 0.101 nan 8.280 nan 0.000 0.487 254 R N 1.852 122.330 120.500 -0.037 0.000 2.167 254 R HA 0.044 4.386 4.340 0.003 0.000 0.201 254 R C 0.410 176.704 176.300 -0.011 0.000 1.024 254 R CA 0.688 56.745 56.100 -0.072 0.000 1.053 254 R CB -1.094 29.109 30.300 -0.161 0.000 0.987 254 R HN 0.499 nan 8.270 nan 0.000 0.493 255 T N 1.495 116.038 114.554 -0.019 0.000 3.054 255 T HA 0.108 4.460 4.350 0.003 0.000 0.259 255 T C 1.903 176.627 174.700 0.039 0.000 1.092 255 T CA 0.649 62.727 62.100 -0.036 0.000 1.121 255 T CB -0.018 68.809 68.868 -0.067 0.000 0.912 255 T HN -0.074 nan 8.240 nan 0.000 0.489 256 V N 1.891 121.850 119.914 0.075 0.000 2.527 256 V HA -0.169 3.953 4.120 0.003 0.000 0.255 256 V C 2.252 178.424 176.094 0.129 0.000 1.081 256 V CA 1.447 63.795 62.300 0.080 0.000 1.092 256 V CB -0.695 31.168 31.823 0.066 0.000 0.673 256 V HN 0.377 nan 8.190 nan 0.000 0.470 257 L N 0.086 121.437 121.223 0.213 0.000 2.084 257 L HA 0.006 4.348 4.340 0.003 0.000 0.202 257 L C 2.421 179.406 176.870 0.191 0.000 1.074 257 L CA 2.074 57.046 54.840 0.221 0.000 0.757 257 L CB -0.683 41.568 42.059 0.320 0.000 0.918 257 L HN 0.325 nan 8.230 nan 0.000 0.444 258 E N -0.651 119.614 120.200 0.108 0.000 2.209 258 E HA -0.252 4.099 4.350 0.003 0.000 0.196 258 E C 2.072 178.617 176.600 -0.091 0.000 0.993 258 E CA 1.340 57.636 56.400 -0.172 0.000 0.819 258 E CB -0.066 29.241 29.700 -0.655 0.000 0.745 258 E HN 0.455 nan 8.360 nan 0.000 0.477 259 L N -0.325 120.912 121.223 0.022 0.000 1.993 259 L HA -0.110 4.232 4.340 0.003 0.000 0.206 259 L C 1.881 178.838 176.870 0.145 0.000 1.074 259 L CA 1.686 56.573 54.840 0.079 0.000 0.746 259 L CB -0.736 41.422 42.059 0.165 0.000 0.896 259 L HN 0.148 nan 8.230 nan 0.000 0.435 260 Y N -0.196 120.101 120.300 -0.004 0.000 2.134 260 Y HA 0.254 4.806 4.550 0.003 0.000 0.283 260 Y C 1.452 177.358 175.900 0.010 0.000 1.108 260 Y CA 0.461 58.559 58.100 -0.003 0.000 1.096 260 Y CB -0.989 37.470 38.460 -0.002 0.000 1.005 260 Y HN 0.151 nan 8.280 nan 0.000 0.487 261 A N 1.927 124.884 122.820 0.228 0.000 2.354 261 A HA 0.262 4.584 4.320 0.003 0.000 0.281 261 A C -1.790 175.886 177.584 0.153 0.000 1.174 261 A CA -1.105 51.028 52.037 0.160 0.000 0.828 261 A CB -0.075 19.010 19.000 0.142 0.000 1.099 261 A HN 0.238 nan 8.150 nan 0.000 0.516 262 P HA 0.011 nan 4.420 nan 0.000 0.245 262 P C 0.195 177.597 177.300 0.170 0.000 1.203 262 P CA 0.600 63.769 63.100 0.115 0.000 0.792 262 P CB 0.723 32.459 31.700 0.060 0.000 0.997 263 D N -0.865 119.632 120.400 0.163 0.000 2.652 263 D HA 0.069 4.711 4.640 0.003 0.000 0.261 263 D C 1.978 178.393 176.300 0.192 0.000 1.024 263 D CA 0.495 54.588 54.000 0.155 0.000 0.958 263 D CB -0.069 40.787 40.800 0.093 0.000 1.113 263 D HN -0.204 nan 8.370 nan 0.000 0.471 264 M N 0.691 120.396 119.600 0.175 0.000 2.252 264 M HA -0.201 4.281 4.480 0.003 0.000 0.257 264 M C 2.075 178.509 176.300 0.224 0.000 1.077 264 M CA 0.960 56.386 55.300 0.209 0.000 1.066 264 M CB -1.031 31.670 32.600 0.168 0.000 1.380 264 M HN 0.109 nan 8.290 nan 0.000 0.412 265 F N 1.169 121.202 119.950 0.139 0.000 2.060 265 F HA -0.172 4.357 4.527 0.003 0.000 0.295 265 F C 2.105 177.980 175.800 0.125 0.000 1.120 265 F CA 1.775 59.875 58.000 0.167 0.000 1.205 265 F CB -0.403 38.685 39.000 0.146 0.000 0.986 265 F HN 0.063 nan 8.300 nan 0.000 0.470 266 E N -1.144 119.164 120.200 0.181 0.000 2.510 266 E HA -0.179 4.173 4.350 0.003 0.000 0.202 266 E C 1.291 177.880 176.600 -0.018 0.000 1.072 266 E CA 0.760 57.192 56.400 0.053 0.000 0.883 266 E CB -0.432 29.386 29.700 0.197 0.000 0.818 266 E HN 0.652 nan 8.360 nan 0.000 0.548 267 Y N -0.543 119.646 120.300 -0.185 0.000 2.259 267 Y HA 0.034 4.586 4.550 0.003 0.000 0.285 267 Y C 1.751 177.432 175.900 -0.366 0.000 1.130 267 Y CA 0.938 58.930 58.100 -0.179 0.000 1.144 267 Y CB -0.363 38.060 38.460 -0.062 0.000 1.093 267 Y HN -0.032 nan 8.280 nan 0.000 0.507 268 M N 1.208 120.479 119.600 -0.547 0.000 2.144 268 M HA -0.282 4.200 4.480 0.003 0.000 0.260 268 M C 1.975 177.493 176.300 -1.304 0.000 1.067 268 M CA 1.564 56.274 55.300 -0.982 0.000 1.095 268 M CB -1.483 30.489 32.600 -1.046 0.000 1.365 268 M HN 0.485 nan 8.290 nan 0.000 0.406 269 N N 0.785 118.785 118.700 -1.167 0.000 2.120 269 N HA -0.198 4.544 4.740 0.003 0.000 0.188 269 N C 1.654 176.846 175.510 -0.530 0.000 1.024 269 N CA 1.516 54.041 53.050 -0.875 0.000 0.852 269 N CB -0.012 38.037 38.487 -0.730 0.000 1.003 269 N HN 0.274 nan 8.380 nan 0.000 0.424 270 K N 0.912 121.060 120.400 -0.419 0.000 2.148 270 K HA 0.034 4.356 4.320 0.003 0.000 0.204 270 K C 2.220 178.581 176.600 -0.397 0.000 1.050 270 K CA 0.609 56.727 56.287 -0.281 0.000 0.942 270 K CB -0.159 32.253 32.500 -0.147 0.000 0.724 270 K HN 0.183 nan 8.250 nan 0.000 0.446 271 L N 0.378 121.200 121.223 -0.668 0.000 2.042 271 L HA -0.178 4.164 4.340 0.003 0.000 0.210 271 L C 2.509 178.836 176.870 -0.904 0.000 1.076 271 L CA 1.763 56.007 54.840 -0.993 0.000 0.749 271 L CB -0.452 40.629 42.059 -1.630 0.000 0.893 271 L HN 0.393 nan 8.230 nan 0.000 0.432 272 E N 0.310 120.109 120.200 -0.668 0.000 2.285 272 E HA -0.164 4.188 4.350 0.003 0.000 0.194 272 E C 2.053 178.581 176.600 -0.121 0.000 0.997 272 E CA 0.433 56.688 56.400 -0.240 0.000 0.845 272 E CB 0.254 29.890 29.700 -0.107 0.000 0.782 272 E HN 0.376 nan 8.360 nan 0.000 0.491 273 K N -0.929 119.365 120.400 -0.177 0.000 2.032 273 K HA -0.108 4.214 4.320 0.003 0.000 0.209 273 K C 1.524 178.096 176.600 -0.048 0.000 1.048 273 K CA 1.389 57.622 56.287 -0.090 0.000 0.927 273 K CB 0.053 32.494 32.500 -0.098 0.000 0.712 273 K HN 0.258 nan 8.250 nan 0.000 0.441 274 G N -1.673 107.087 108.800 -0.067 0.000 4.554 274 G HA2 -0.037 3.925 3.960 0.003 0.000 0.210 274 G HA3 -0.037 3.925 3.960 0.003 0.000 0.210 274 G C 1.006 175.903 174.900 -0.005 0.000 0.674 274 G CA 0.161 45.256 45.100 -0.009 0.000 0.801 274 G HN 0.319 nan 8.290 nan 0.000 0.555 275 G N 0.814 109.556 108.800 -0.097 0.000 2.485 275 G HA2 -0.142 3.820 3.960 0.003 0.000 0.221 275 G HA3 -0.142 3.820 3.960 0.003 0.000 0.221 275 G C 1.396 176.350 174.900 0.091 0.000 1.115 275 G CA 1.069 46.116 45.100 -0.088 0.000 0.751 275 G HN 0.449 nan 8.290 nan 0.000 0.567 276 F N -0.262 119.699 119.950 0.019 0.000 2.664 276 F HA 0.167 4.696 4.527 0.003 0.000 0.296 276 F C 2.539 178.362 175.800 0.037 0.000 1.125 276 F CA 0.459 58.489 58.000 0.049 0.000 1.444 276 F CB 0.353 39.401 39.000 0.079 0.000 1.114 276 F HN 0.227 nan 8.300 nan 0.000 0.576 277 E N 0.815 121.138 120.200 0.205 0.000 2.299 277 E HA -0.098 4.254 4.350 0.003 0.000 0.193 277 E C 1.739 178.392 176.600 0.089 0.000 0.998 277 E CA 0.286 56.757 56.400 0.119 0.000 0.851 277 E CB 0.287 30.036 29.700 0.082 0.000 0.795 277 E HN 0.330 nan 8.360 nan 0.000 0.492 278 K N 0.882 121.338 120.400 0.093 0.000 1.974 278 K HA -0.174 4.148 4.320 0.003 0.000 0.226 278 K C 2.021 178.659 176.600 0.063 0.000 1.039 278 K CA 1.799 58.127 56.287 0.067 0.000 1.022 278 K CB -0.354 32.186 32.500 0.067 0.000 0.746 278 K HN 0.160 nan 8.250 nan 0.000 0.445 279 I N 1.059 121.677 120.570 0.080 0.000 2.399 279 I HA -0.227 3.944 4.170 0.003 0.000 0.254 279 I C 2.273 178.414 176.117 0.040 0.000 1.146 279 I CA 1.345 62.678 61.300 0.056 0.000 1.412 279 I CB -1.638 36.402 38.000 0.066 0.000 1.076 279 I HN 0.187 nan 8.210 nan 0.000 0.432 280 S N 0.043 115.777 115.700 0.057 0.000 2.603 280 S HA -0.079 4.393 4.470 0.003 0.000 0.229 280 S C 1.575 176.189 174.600 0.023 0.000 0.972 280 S CA 0.842 59.064 58.200 0.036 0.000 0.935 280 S CB -0.045 63.187 63.200 0.053 0.000 0.769 280 S HN 0.440 nan 8.310 nan 0.000 0.536 281 E N -0.044 120.171 120.200 0.024 0.000 2.474 281 E HA 0.131 4.483 4.350 0.003 0.000 0.215 281 E C 1.836 178.440 176.600 0.006 0.000 0.867 281 E CA 0.735 57.143 56.400 0.014 0.000 1.135 281 E CB 0.121 29.832 29.700 0.018 0.000 1.147 281 E HN 0.589 nan 8.360 nan 0.000 0.534 282 S N 0.136 115.841 115.700 0.009 0.000 2.527 282 S HA 0.017 4.489 4.470 0.003 0.000 0.222 282 S C 1.762 176.358 174.600 -0.006 0.000 0.985 282 S CA 0.368 58.569 58.200 0.002 0.000 0.921 282 S CB 0.088 63.291 63.200 0.006 0.000 0.772 282 S HN -0.005 nan 8.310 nan 0.000 0.529 283 L N 0.983 122.201 121.223 -0.007 0.000 2.286 283 L HA 0.418 4.760 4.340 0.003 0.000 0.203 283 L C 2.444 179.301 176.870 -0.021 0.000 1.068 283 L CA 1.064 55.893 54.840 -0.018 0.000 0.811 283 L CB -0.714 41.332 42.059 -0.022 0.000 0.989 283 L HN 0.184 nan 8.230 nan 0.000 0.467 284 K N 1.115 121.506 120.400 -0.015 0.000 2.009 284 K HA -0.225 4.097 4.320 0.003 0.000 0.210 284 K C 2.047 178.635 176.600 -0.020 0.000 1.049 284 K CA 1.964 58.241 56.287 -0.017 0.000 0.929 284 K CB -0.153 32.342 32.500 -0.009 0.000 0.714 284 K HN 0.371 nan 8.250 nan 0.000 0.440 285 K N -0.005 120.385 120.400 -0.016 0.000 2.026 285 K HA -0.206 4.116 4.320 0.003 0.000 0.208 285 K C 2.143 178.730 176.600 -0.023 0.000 1.048 285 K CA 1.811 58.087 56.287 -0.018 0.000 0.929 285 K CB -0.408 32.084 32.500 -0.014 0.000 0.713 285 K HN 0.244 nan 8.250 nan 0.000 0.439 286 E N 1.291 121.477 120.200 -0.023 0.000 2.209 286 E HA -0.142 4.210 4.350 0.003 0.000 0.196 286 E C 2.046 178.627 176.600 -0.032 0.000 0.993 286 E CA 1.452 57.836 56.400 -0.027 0.000 0.819 286 E CB -0.470 29.214 29.700 -0.027 0.000 0.745 286 E HN 0.507 nan 8.360 nan 0.000 0.477 287 G N 0.472 109.252 108.800 -0.033 0.000 2.469 287 G HA2 -0.311 3.651 3.960 0.003 0.000 0.219 287 G HA3 -0.311 3.651 3.960 0.003 0.000 0.219 287 G C 1.553 176.428 174.900 -0.041 0.000 1.150 287 G CA 1.820 46.897 45.100 -0.038 0.000 0.763 287 G HN 0.316 nan 8.290 nan 0.000 0.561 288 V N -1.396 118.494 119.914 -0.039 0.000 2.284 288 V HA 0.073 4.195 4.120 0.003 0.000 0.236 288 V C 2.208 178.276 176.094 -0.044 0.000 1.044 288 V CA 1.799 64.072 62.300 -0.046 0.000 1.019 288 V CB -1.292 30.503 31.823 -0.047 0.000 0.657 288 V HN 0.355 nan 8.190 nan 0.000 0.465 289 E N 0.628 120.806 120.200 -0.037 0.000 2.339 289 E HA -0.263 4.089 4.350 0.003 0.000 0.201 289 E C 1.961 178.543 176.600 -0.031 0.000 1.015 289 E CA 1.622 58.003 56.400 -0.032 0.000 0.841 289 E CB -0.166 29.518 29.700 -0.026 0.000 0.754 289 E HN 0.713 nan 8.360 nan 0.000 0.508 290 K N 1.157 121.537 120.400 -0.034 0.000 1.995 290 K HA -0.107 4.215 4.320 0.003 0.000 0.217 290 K C 0.642 177.221 176.600 -0.035 0.000 1.030 290 K CA 0.878 57.145 56.287 -0.033 0.000 0.971 290 K CB -0.010 32.469 32.500 -0.036 0.000 0.775 290 K HN -0.123 nan 8.250 nan 0.000 0.446 291 D N 1.163 121.540 120.400 -0.040 0.000 2.338 291 D HA 0.110 4.752 4.640 0.003 0.000 0.255 291 D C -0.461 175.811 176.300 -0.046 0.000 1.237 291 D CA 0.306 54.281 54.000 -0.042 0.000 0.883 291 D CB 0.443 41.216 40.800 -0.045 0.000 1.087 291 D HN 0.178 nan 8.370 nan 0.000 0.485 292 R N 2.202 122.676 120.500 -0.043 0.000 2.909 292 R HA 0.412 4.753 4.340 0.003 0.000 0.262 292 R C -0.729 175.545 176.300 -0.042 0.000 1.095 292 R CA -0.770 55.301 56.100 -0.049 0.000 0.965 292 R CB 0.552 30.827 30.300 -0.042 0.000 1.300 292 R HN 0.446 nan 8.270 nan 0.000 0.442 293 I N 0.666 121.211 120.570 -0.042 0.000 2.294 293 I HA 0.201 4.373 4.170 0.003 0.000 0.295 293 I C 0.106 176.232 176.117 0.014 0.000 1.098 293 I CA -0.425 60.864 61.300 -0.018 0.000 1.277 293 I CB 0.160 38.150 38.000 -0.018 0.000 1.434 293 I HN 0.212 nan 8.210 nan 0.000 0.498 294 D N 7.175 127.577 120.400 0.002 0.000 2.426 294 D HA 0.109 4.750 4.640 0.003 0.000 0.271 294 D C 0.368 176.678 176.300 0.017 0.000 1.376 294 D CA 0.123 54.127 54.000 0.007 0.000 1.149 294 D CB 0.443 41.242 40.800 -0.002 0.000 1.118 294 D HN 0.514 nan 8.370 nan 0.000 0.529 295 V N 1.150 121.082 119.914 0.029 0.000 5.548 295 V HA 0.598 4.719 4.120 0.003 0.000 0.276 295 V C 0.444 176.550 176.094 0.020 0.000 1.512 295 V CA -0.619 61.695 62.300 0.023 0.000 0.718 295 V CB 0.714 32.561 31.823 0.040 0.000 1.393 295 V HN 0.324 nan 8.190 nan 0.000 0.415 296 L N -2.101 119.134 121.223 0.020 0.000 2.399 296 L HA 0.530 4.872 4.340 0.003 0.000 0.266 296 L C -0.328 176.564 176.870 0.036 0.000 1.516 296 L CA -0.687 54.170 54.840 0.028 0.000 0.715 296 L CB -0.102 41.979 42.059 0.036 0.000 0.933 296 L HN 0.495 nan 8.230 nan 0.000 0.524 297 K N 1.398 121.814 120.400 0.026 0.000 2.494 297 K HA 0.510 4.831 4.320 0.003 0.000 0.273 297 K C 0.946 177.552 176.600 0.010 0.000 0.970 297 K CA 1.005 57.305 56.287 0.022 0.000 0.963 297 K CB 0.270 32.777 32.500 0.012 0.000 0.913 297 K HN 0.673 nan 8.250 nan 0.000 0.502 298 G N 0.941 109.731 108.800 -0.016 0.000 2.712 298 G HA2 -0.254 3.708 3.960 0.003 0.000 0.683 298 G HA3 -0.254 3.708 3.960 0.003 0.000 0.683 298 G C 0.261 175.159 174.900 -0.004 0.000 1.320 298 G CA -0.196 44.857 45.100 -0.080 0.000 0.847 298 G HN 0.767 nan 8.290 nan 0.000 0.553 299 E N -0.274 119.898 120.200 -0.046 0.000 2.492 299 E HA -0.115 4.237 4.350 0.003 0.000 0.204 299 E C 2.059 178.697 176.600 0.063 0.000 1.073 299 E CA 1.173 57.590 56.400 0.029 0.000 0.887 299 E CB -0.185 29.507 29.700 -0.013 0.000 0.813 299 E HN 0.483 nan 8.360 nan 0.000 0.562 300 K N -1.065 119.371 120.400 0.060 0.000 2.305 300 K HA 0.000 4.322 4.320 0.003 0.000 0.199 300 K C 1.630 178.284 176.600 0.090 0.000 1.047 300 K CA 0.694 57.016 56.287 0.058 0.000 0.976 300 K CB 0.344 32.866 32.500 0.037 0.000 0.765 300 K HN 0.056 nan 8.250 nan 0.000 0.474 301 A N 0.725 123.637 122.820 0.153 0.000 1.963 301 A HA 0.015 4.337 4.320 0.003 0.000 0.207 301 A C 1.682 179.424 177.584 0.263 0.000 1.243 301 A CA 0.003 52.167 52.037 0.212 0.000 0.728 301 A CB -0.259 18.894 19.000 0.254 0.000 0.895 301 A HN 0.197 nan 8.150 nan 0.000 0.467 302 L N -0.421 121.028 121.223 0.378 0.000 2.671 302 L HA -0.117 4.225 4.340 0.003 0.000 0.236 302 L C 1.612 178.500 176.870 0.030 0.000 1.178 302 L CA 1.591 56.586 54.840 0.258 0.000 0.829 302 L CB -0.287 42.065 42.059 0.489 0.000 0.956 302 L HN 0.136 nan 8.230 nan 0.000 0.455 303 K N -1.099 119.333 120.400 0.054 0.000 2.308 303 K HA 0.289 4.611 4.320 0.003 0.000 0.197 303 K C 1.640 178.236 176.600 -0.006 0.000 1.049 303 K CA 0.907 57.202 56.287 0.013 0.000 0.991 303 K CB 0.355 32.873 32.500 0.031 0.000 0.836 303 K HN 0.393 nan 8.250 nan 0.000 0.500 304 A N 0.184 123.010 122.820 0.010 0.000 2.348 304 A HA 0.052 4.374 4.320 0.003 0.000 0.224 304 A C 1.850 179.410 177.584 -0.041 0.000 1.227 304 A CA 0.461 52.502 52.037 0.008 0.000 0.885 304 A CB 0.043 19.070 19.000 0.046 0.000 0.933 304 A HN 0.145 nan 8.150 nan 0.000 0.506 305 S N -0.717 114.893 115.700 -0.151 0.000 2.453 305 S HA 0.171 4.643 4.470 0.003 0.000 0.231 305 S C 1.832 176.198 174.600 -0.390 0.000 1.005 305 S CA 1.714 59.630 58.200 -0.473 0.000 0.949 305 S CB -0.402 62.047 63.200 -1.252 0.000 0.774 305 S HN 1.668 nan 8.310 nan 0.000 0.510 306 G N 0.493 109.162 108.800 -0.218 0.000 2.451 306 G HA2 -0.302 3.659 3.960 0.003 0.000 0.253 306 G HA3 -0.302 3.659 3.960 0.003 0.000 0.253 306 G C 0.184 174.998 174.900 -0.143 0.000 1.033 306 G CA 0.866 45.893 45.100 -0.122 0.000 0.633 306 G HN 0.527 nan 8.290 nan 0.000 0.537 307 L N 0.125 121.131 121.223 -0.362 0.000 2.453 307 L HA 0.372 4.714 4.340 0.003 0.000 0.274 307 L C 1.158 177.945 176.870 -0.138 0.000 1.270 307 L CA 0.400 55.015 54.840 -0.374 0.000 0.822 307 L CB 0.359 41.934 42.059 -0.807 0.000 1.091 307 L HN 0.059 nan 8.230 nan 0.000 0.546 308 V N 3.030 122.954 119.914 0.017 0.000 2.333 308 V HA 0.181 4.303 4.120 0.003 0.000 0.274 308 V C -1.448 174.535 176.094 -0.186 0.000 1.028 308 V CA -1.166 61.088 62.300 -0.076 0.000 0.851 308 V CB 1.201 32.939 31.823 -0.142 0.000 1.000 308 V HN 0.676 nan 8.190 nan 0.000 0.456 309 P HA -0.278 nan 4.420 nan 0.000 0.226 309 P C 1.402 178.651 177.300 -0.086 0.000 1.154 309 P CA 1.811 64.878 63.100 -0.055 0.000 0.918 309 P CB 0.282 31.967 31.700 -0.026 0.000 0.790 310 E N -2.325 117.761 120.200 -0.190 0.000 2.153 310 E HA -0.219 4.133 4.350 0.003 0.000 0.194 310 E C 1.917 178.411 176.600 -0.177 0.000 0.988 310 E CA 1.004 57.298 56.400 -0.176 0.000 0.811 310 E CB -0.523 29.043 29.700 -0.223 0.000 0.746 310 E HN 0.578 nan 8.360 nan 0.000 0.466 311 H N 0.254 119.172 119.070 -0.252 0.000 2.294 311 H HA 0.041 4.599 4.556 0.004 0.000 0.306 311 H C 2.315 177.166 175.328 -0.796 0.000 1.065 311 H CA 0.615 56.328 56.048 -0.559 0.000 1.343 311 H CB -0.012 29.463 29.762 -0.478 0.000 1.396 311 H HN 0.165 nan 8.280 nan 0.000 0.506 312 A N 1.249 123.838 122.820 -0.385 0.000 1.873 312 A HA -0.255 4.067 4.320 0.003 0.000 0.218 312 A C 1.966 179.508 177.584 -0.069 0.000 1.193 312 A CA 2.172 54.023 52.037 -0.310 0.000 0.629 312 A CB -0.621 18.119 19.000 -0.434 0.000 0.826 312 A HN 0.420 nan 8.150 nan 0.000 0.447 313 D N -0.389 120.077 120.400 0.109 0.000 2.221 313 D HA -0.077 4.565 4.640 0.003 0.000 0.204 313 D C 2.182 178.541 176.300 0.099 0.000 0.982 313 D CA 1.286 55.425 54.000 0.233 0.000 0.857 313 D CB -0.109 40.783 40.800 0.154 0.000 0.934 313 D HN 0.463 nan 8.370 nan 0.000 0.475 314 A N 0.388 123.184 122.820 -0.039 0.000 1.872 314 A HA -0.109 4.213 4.320 0.003 0.000 0.214 314 A C 2.087 179.706 177.584 0.058 0.000 1.187 314 A CA 0.738 52.746 52.037 -0.049 0.000 0.614 314 A CB -1.075 17.822 19.000 -0.172 0.000 0.826 314 A HN 0.204 nan 8.150 nan 0.000 0.442 315 F N 0.036 120.014 119.950 0.047 0.000 2.202 315 F HA -0.196 4.333 4.527 0.004 0.000 0.301 315 F C 2.376 178.214 175.800 0.063 0.000 1.082 315 F CA 1.285 59.310 58.000 0.042 0.000 1.313 315 F CB -0.091 38.895 39.000 -0.023 0.000 1.024 315 F HN 0.172 nan 8.300 nan 0.000 0.495 316 K N 0.900 121.456 120.400 0.260 0.000 2.127 316 K HA -0.275 4.047 4.320 0.003 0.000 0.208 316 K C 2.164 178.860 176.600 0.161 0.000 1.047 316 K CA 1.455 57.876 56.287 0.224 0.000 0.927 316 K CB -0.171 32.490 32.500 0.269 0.000 0.716 316 K HN 0.156 nan 8.250 nan 0.000 0.450 317 K N 0.543 121.030 120.400 0.145 0.000 2.097 317 K HA -0.156 4.165 4.320 0.003 0.000 0.205 317 K C 1.946 178.612 176.600 0.110 0.000 1.050 317 K CA 1.216 57.570 56.287 0.111 0.000 0.938 317 K CB -0.021 32.538 32.500 0.100 0.000 0.718 317 K HN -0.008 nan 8.250 nan 0.000 0.442 318 I N 1.560 122.213 120.570 0.138 0.000 2.163 318 I HA -0.207 3.965 4.170 0.003 0.000 0.240 318 I C 2.438 178.618 176.117 0.105 0.000 1.081 318 I CA 1.471 62.845 61.300 0.124 0.000 1.353 318 I CB -0.728 37.363 38.000 0.152 0.000 1.054 318 I HN 0.154 nan 8.210 nan 0.000 0.407 319 A N 0.227 123.113 122.820 0.109 0.000 2.042 319 A HA -0.266 4.056 4.320 0.003 0.000 0.222 319 A C 2.441 180.059 177.584 0.056 0.000 1.167 319 A CA 1.947 54.029 52.037 0.076 0.000 0.649 319 A CB -0.622 18.407 19.000 0.049 0.000 0.809 319 A HN 0.395 nan 8.150 nan 0.000 0.457 320 R N -1.225 119.311 120.500 0.061 0.000 2.048 320 R HA -0.025 4.317 4.340 0.003 0.000 0.224 320 R C 2.394 178.719 176.300 0.042 0.000 1.163 320 R CA 1.022 57.150 56.100 0.046 0.000 0.956 320 R CB -0.448 29.880 30.300 0.047 0.000 0.849 320 R HN 0.771 nan 8.270 nan 0.000 0.435 321 E N 1.050 121.279 120.200 0.049 0.000 2.049 321 E HA -0.177 4.175 4.350 0.003 0.000 0.198 321 E C -0.151 176.467 176.600 0.030 0.000 1.007 321 E CA 1.093 57.517 56.400 0.040 0.000 0.809 321 E CB -0.005 29.725 29.700 0.050 0.000 0.749 321 E HN 0.104 nan 8.360 nan 0.000 0.450 322 L N 1.424 122.672 121.223 0.042 0.000 2.343 322 L HA 0.223 4.565 4.340 0.003 0.000 0.275 322 L C 0.308 177.201 176.870 0.038 0.000 1.056 322 L CA -0.561 54.297 54.840 0.031 0.000 0.804 322 L CB 1.293 43.383 42.059 0.051 0.000 1.203 322 L HN 0.141 nan 8.230 nan 0.000 0.440 323 N N 1.541 120.253 118.700 0.020 0.000 2.621 323 N HA 0.275 5.017 4.740 0.003 0.000 0.237 323 N C -1.198 174.397 175.510 0.142 0.000 0.997 323 N CA -0.195 52.891 53.050 0.061 0.000 0.918 323 N CB 1.158 39.659 38.487 0.024 0.000 1.122 323 N HN 0.750 nan 8.380 nan 0.000 0.510 324 T N 0.747 115.416 114.554 0.192 0.000 3.041 324 T HA 0.233 4.585 4.350 0.003 0.000 0.321 324 T C -1.067 173.781 174.700 0.247 0.000 1.184 324 T CA -0.570 61.709 62.100 0.299 0.000 1.050 324 T CB 0.531 69.509 68.868 0.184 0.000 1.159 324 T HN 0.215 nan 8.240 nan 0.000 0.469 325 Y N 2.590 122.999 120.300 0.182 0.000 2.511 325 Y HA 0.474 5.026 4.550 0.003 0.000 0.332 325 Y C 0.778 176.739 175.900 0.102 0.000 1.177 325 Y CA -0.521 57.630 58.100 0.086 0.000 1.422 325 Y CB 0.472 38.948 38.460 0.027 0.000 1.271 325 Y HN 0.542 nan 8.280 nan 0.000 0.550 326 I N 5.528 126.210 120.570 0.187 0.000 2.382 326 I HA 0.253 4.425 4.170 0.003 0.000 0.286 326 I C -1.248 174.953 176.117 0.140 0.000 1.002 326 I CA -0.723 60.660 61.300 0.138 0.000 1.135 326 I CB 1.025 39.132 38.000 0.178 0.000 1.288 326 I HN 0.272 nan 8.210 nan 0.000 0.448 327 L N 6.933 128.162 121.223 0.011 0.000 2.322 327 L HA 0.554 4.896 4.340 0.003 0.000 0.281 327 L C -0.707 176.073 176.870 -0.150 0.000 1.014 327 L CA -0.096 54.764 54.840 0.034 0.000 0.815 327 L CB 1.158 43.236 42.059 0.032 0.000 1.247 327 L HN 0.266 nan 8.230 nan 0.000 0.421 328 F N 1.536 121.537 119.950 0.085 0.000 2.522 328 F HA 0.642 5.172 4.527 0.004 0.000 0.324 328 F C 0.790 176.665 175.800 0.125 0.000 1.077 328 F CA -0.799 57.254 58.000 0.088 0.000 0.944 328 F CB 1.439 40.437 39.000 -0.003 0.000 1.175 328 F HN 0.335 nan 8.300 nan 0.000 0.468 329 R N 1.047 121.711 120.500 0.273 0.000 2.519 329 R HA 0.447 4.789 4.340 0.003 0.000 0.244 329 R C -2.484 173.936 176.300 0.200 0.000 1.241 329 R CA -1.612 54.639 56.100 0.253 0.000 1.120 329 R CB 0.194 30.643 30.300 0.248 0.000 1.333 329 R HN 0.255 nan 8.270 nan 0.000 0.587 330 P HA 0.132 nan 4.420 nan 0.000 0.293 330 P C -1.058 176.308 177.300 0.110 0.000 1.300 330 P CA -0.246 62.918 63.100 0.108 0.000 0.792 330 P CB 0.981 32.740 31.700 0.098 0.000 0.925 331 V N 3.960 123.925 119.914 0.085 0.000 2.339 331 V HA 0.138 4.260 4.120 0.003 0.000 0.261 331 V C 0.881 177.017 176.094 0.071 0.000 1.058 331 V CA -0.904 61.468 62.300 0.120 0.000 0.897 331 V CB -0.084 31.848 31.823 0.182 0.000 1.052 331 V HN 0.621 nan 8.190 nan 0.000 0.480 332 N N 4.104 122.845 118.700 0.067 0.000 2.138 332 N HA -0.116 4.626 4.740 0.003 0.000 0.271 332 N C 1.128 176.657 175.510 0.030 0.000 1.272 332 N CA 0.290 53.368 53.050 0.047 0.000 0.819 332 N CB 0.799 39.313 38.487 0.045 0.000 1.052 332 N HN 0.583 nan 8.380 nan 0.000 0.479 333 K N 3.577 123.990 120.400 0.022 0.000 2.074 333 K HA -0.138 4.184 4.320 0.003 0.000 0.209 333 K C 1.708 178.312 176.600 0.006 0.000 1.048 333 K CA 1.070 57.364 56.287 0.011 0.000 0.926 333 K CB -0.229 32.278 32.500 0.011 0.000 0.713 333 K HN 0.405 nan 8.250 nan 0.000 0.444 334 L N 0.246 121.475 121.223 0.010 0.000 2.197 334 L HA -0.178 4.164 4.340 0.003 0.000 0.215 334 L C 1.780 178.633 176.870 -0.028 0.000 1.095 334 L CA 1.896 56.734 54.840 -0.002 0.000 0.764 334 L CB -0.946 41.119 42.059 0.010 0.000 0.897 334 L HN 0.260 nan 8.230 nan 0.000 0.436 335 A N -2.855 119.947 122.820 -0.030 0.000 2.465 335 A HA 0.171 4.493 4.320 0.003 0.000 0.255 335 A C 1.931 179.502 177.584 -0.022 0.000 1.274 335 A CA 0.407 52.406 52.037 -0.063 0.000 0.920 335 A CB -0.478 18.467 19.000 -0.092 0.000 1.033 335 A HN 0.315 nan 8.150 nan 0.000 0.516 336 T N 1.218 115.775 114.554 0.004 0.000 2.635 336 T HA -0.175 4.177 4.350 0.003 0.000 0.267 336 T C 1.775 176.488 174.700 0.021 0.000 1.040 336 T CA 1.868 63.984 62.100 0.027 0.000 1.156 336 T CB -0.280 68.592 68.868 0.006 0.000 0.863 336 T HN 0.552 nan 8.240 nan 0.000 0.430 337 N N 1.133 119.833 118.700 -0.001 0.000 2.300 337 N HA 0.095 4.837 4.740 0.003 0.000 0.179 337 N C 1.963 177.475 175.510 0.004 0.000 1.016 337 N CA 0.567 53.616 53.050 -0.002 0.000 0.876 337 N CB -0.344 38.139 38.487 -0.008 0.000 0.979 337 N HN 0.343 nan 8.380 nan 0.000 0.432 338 L N 0.985 122.192 121.223 -0.026 0.000 2.189 338 L HA -0.140 4.202 4.340 0.003 0.000 0.214 338 L C 2.094 178.965 176.870 0.003 0.000 1.097 338 L CA 0.904 55.709 54.840 -0.058 0.000 0.764 338 L CB -0.405 41.541 42.059 -0.190 0.000 0.900 338 L HN 0.133 nan 8.230 nan 0.000 0.436 339 I N -0.182 120.415 120.570 0.044 0.000 2.185 339 I HA -0.272 3.900 4.170 0.003 0.000 0.235 339 I C 2.617 178.893 176.117 0.266 0.000 1.069 339 I CA 1.045 62.437 61.300 0.154 0.000 1.354 339 I CB -0.344 37.702 38.000 0.077 0.000 1.093 339 I HN 0.119 nan 8.210 nan 0.000 0.411 340 K N 0.754 121.254 120.400 0.167 0.000 2.144 340 K HA -0.274 4.048 4.320 0.003 0.000 0.209 340 K C 2.101 178.759 176.600 0.096 0.000 1.047 340 K CA 1.966 58.314 56.287 0.102 0.000 0.927 340 K CB -0.216 32.270 32.500 -0.024 0.000 0.716 340 K HN 0.133 nan 8.250 nan 0.000 0.454 341 S N -1.209 114.529 115.700 0.063 0.000 2.595 341 S HA -0.000 4.472 4.470 0.003 0.000 0.235 341 S C 1.045 175.646 174.600 0.002 0.000 0.974 341 S CA 1.092 59.306 58.200 0.024 0.000 0.942 341 S CB -0.448 62.763 63.200 0.019 0.000 0.766 341 S HN 0.665 nan 8.310 nan 0.000 0.536 342 G N -0.247 108.564 108.800 0.017 0.000 2.176 342 G HA2 -0.241 3.721 3.960 0.003 0.000 0.253 342 G HA3 -0.241 3.721 3.960 0.003 0.000 0.253 342 G C 0.122 174.927 174.900 -0.157 0.000 0.979 342 G CA 0.131 45.123 45.100 -0.180 0.000 0.641 342 G HN 0.578 nan 8.290 nan 0.000 0.530 343 V N 1.757 121.668 119.914 -0.005 0.000 2.585 343 V HA 0.501 4.623 4.120 0.003 0.000 0.296 343 V C 1.341 177.472 176.094 0.061 0.000 1.035 343 V CA 0.251 62.554 62.300 0.004 0.000 1.084 343 V CB 0.741 32.545 31.823 -0.030 0.000 0.953 343 V HN 1.051 nan 8.190 nan 0.000 0.483 344 A N 4.871 127.710 122.820 0.031 0.000 2.325 344 A HA 0.613 4.935 4.320 0.003 0.000 0.260 344 A C 0.624 178.230 177.584 0.037 0.000 1.133 344 A CA 0.198 52.285 52.037 0.084 0.000 0.801 344 A CB 0.168 19.185 19.000 0.028 0.000 1.092 344 A HN 0.994 nan 8.150 nan 0.000 0.504 345 T N -1.214 113.343 114.554 0.005 0.000 2.885 345 T HA 0.547 4.899 4.350 0.003 0.000 0.285 345 T C -0.263 174.407 174.700 -0.050 0.000 1.019 345 T CA -0.834 61.232 62.100 -0.056 0.000 1.010 345 T CB 1.180 69.967 68.868 -0.136 0.000 1.022 345 T HN 0.837 nan 8.240 nan 0.000 0.466 346 K N 1.318 121.696 120.400 -0.037 0.000 2.436 346 K HA 0.459 4.781 4.320 0.003 0.000 0.275 346 K C 0.553 177.133 176.600 -0.033 0.000 0.999 346 K CA -0.181 56.093 56.287 -0.021 0.000 0.980 346 K CB -0.001 32.505 32.500 0.010 0.000 0.919 346 K HN 0.804 nan 8.250 nan 0.000 0.484 347 G N 2.672 111.448 108.800 -0.040 0.000 3.341 347 G HA2 0.209 4.171 3.960 0.003 0.000 0.177 347 G HA3 0.209 4.171 3.960 0.003 0.000 0.177 347 G C 0.510 175.431 174.900 0.035 0.000 1.236 347 G CA -0.575 44.498 45.100 -0.043 0.000 0.888 347 G HN 0.549 nan 8.290 nan 0.000 0.644 348 L N 0.950 122.176 121.223 0.004 0.000 2.130 348 L HA 0.043 4.385 4.340 0.003 0.000 0.200 348 L C 2.834 179.585 176.870 -0.198 0.000 1.075 348 L CA 1.099 55.951 54.840 0.019 0.000 0.768 348 L CB -0.588 41.486 42.059 0.026 0.000 0.933 348 L HN 0.587 nan 8.230 nan 0.000 0.451 349 N N 0.353 118.868 118.700 -0.308 0.000 2.111 349 N HA -0.168 4.574 4.740 0.003 0.000 0.197 349 N C 0.606 175.836 175.510 -0.466 0.000 1.011 349 N CA 1.026 53.772 53.050 -0.506 0.000 0.880 349 N CB -0.770 37.419 38.487 -0.497 0.000 1.031 349 N HN 0.148 nan 8.380 nan 0.000 0.444 350 V N 0.449 120.175 119.914 -0.314 0.000 2.644 350 V HA 0.139 4.261 4.120 0.003 0.000 0.295 350 V C 0.122 176.068 176.094 -0.246 0.000 1.053 350 V CA -0.325 61.824 62.300 -0.251 0.000 0.987 350 V CB 1.364 33.137 31.823 -0.084 0.000 1.006 350 V HN 0.297 nan 8.190 nan 0.000 0.472 351 H N 1.087 120.142 119.070 -0.026 0.000 3.182 351 H HA 0.327 4.882 4.556 -0.001 0.000 0.254 351 H C 1.053 176.359 175.328 -0.037 0.000 1.197 351 H CA -0.021 56.001 56.048 -0.044 0.000 1.061 351 H CB 0.957 30.679 29.762 -0.067 0.000 1.722 351 H HN 0.818 nan 8.280 nan 0.000 0.662 352 G N 1.071 109.908 108.800 0.061 0.000 2.636 352 G HA2 0.120 4.082 3.960 0.003 0.000 0.246 352 G HA3 0.120 4.082 3.960 0.003 0.000 0.246 352 G C -0.054 174.874 174.900 0.046 0.000 1.216 352 G CA -0.531 44.589 45.100 0.032 0.000 0.854 352 G HN 0.016 nan 8.290 nan 0.000 0.572 353 K N 0.457 120.885 120.400 0.047 0.000 2.143 353 K HA 0.358 4.680 4.320 0.003 0.000 0.272 353 K C 0.694 177.342 176.600 0.081 0.000 1.001 353 K CA -0.442 55.882 56.287 0.061 0.000 0.915 353 K CB 1.675 34.214 32.500 0.065 0.000 1.047 353 K HN 0.430 nan 8.250 nan 0.000 0.458 354 S N 0.549 116.297 115.700 0.080 0.000 2.549 354 S HA 0.326 4.798 4.470 0.003 0.000 0.260 354 S C -0.144 174.533 174.600 0.128 0.000 1.217 354 S CA -0.190 58.063 58.200 0.087 0.000 1.001 354 S CB 0.465 63.705 63.200 0.066 0.000 1.059 354 S HN 0.579 nan 8.310 nan 0.000 0.537 355 S N -0.472 115.310 115.700 0.136 0.000 2.565 355 S HA 0.432 4.904 4.470 0.003 0.000 0.274 355 S C -2.587 172.129 174.600 0.194 0.000 1.144 355 S CA -0.556 57.776 58.200 0.220 0.000 0.849 355 S CB 1.137 64.482 63.200 0.243 0.000 1.103 355 S HN 0.771 nan 8.310 nan 0.000 0.455 356 D N 2.402 122.994 120.400 0.320 0.000 2.772 356 D HA 0.352 4.994 4.640 0.003 0.000 0.326 356 D C -0.505 176.008 176.300 0.355 0.000 1.207 356 D CA -0.270 53.871 54.000 0.235 0.000 0.777 356 D CB -0.248 40.647 40.800 0.158 0.000 1.169 356 D HN 0.551 nan 8.370 nan 0.000 0.506 357 W N 0.051 121.338 121.300 -0.022 0.000 4.071 357 W HA 0.479 5.140 4.660 0.002 0.000 0.274 357 W C -0.007 176.442 176.519 -0.116 0.000 1.278 357 W CA -0.868 56.448 57.345 -0.047 0.000 1.258 357 W CB 0.280 29.720 29.460 -0.034 0.000 1.236 357 W HN 0.620 nan 8.180 nan 0.000 0.530 358 G N 3.627 112.228 108.800 -0.332 0.000 2.725 358 G HA2 -0.209 3.753 3.960 0.003 0.000 0.220 358 G HA3 -0.209 3.753 3.960 0.003 0.000 0.220 358 G C -1.169 173.400 174.900 -0.552 0.000 1.357 358 G CA -0.115 44.593 45.100 -0.653 0.000 0.866 358 G HN 0.504 nan 8.290 nan 0.000 0.548 359 P HA -0.129 nan 4.420 nan 0.000 0.214 359 P C 2.017 179.135 177.300 -0.303 0.000 1.163 359 P CA 2.559 65.425 63.100 -0.390 0.000 0.883 359 P CB -0.179 31.286 31.700 -0.391 0.000 0.788 360 V N 0.112 119.785 119.914 -0.402 0.000 2.982 360 V HA -0.031 4.091 4.120 0.003 0.000 0.265 360 V C 1.153 177.254 176.094 0.012 0.000 1.122 360 V CA 0.865 63.020 62.300 -0.241 0.000 1.143 360 V CB -1.811 29.840 31.823 -0.286 0.000 0.726 360 V HN 0.171 nan 8.190 nan 0.000 0.507 361 A N 0.232 122.987 122.820 -0.108 0.000 2.600 361 A HA 0.337 4.659 4.320 0.003 0.000 0.244 361 A C 1.689 179.312 177.584 0.064 0.000 1.016 361 A CA 0.948 52.971 52.037 -0.025 0.000 0.778 361 A CB -1.115 17.850 19.000 -0.058 0.000 0.920 361 A HN 2.023 nan 8.150 nan 0.000 0.513 362 G N 0.902 109.711 108.800 0.015 0.000 2.176 362 G HA2 -0.256 3.706 3.960 0.003 0.000 0.253 362 G HA3 -0.256 3.706 3.960 0.003 0.000 0.253 362 G C -0.008 174.751 174.900 -0.234 0.000 0.979 362 G CA 0.747 45.786 45.100 -0.102 0.000 0.641 362 G HN 0.938 nan 8.290 nan 0.000 0.530 363 Y N -0.500 119.787 120.300 -0.020 0.000 2.602 363 Y HA 0.700 5.251 4.550 0.003 0.000 0.330 363 Y C 0.829 176.733 175.900 0.007 0.000 1.114 363 Y CA -1.408 56.684 58.100 -0.013 0.000 1.182 363 Y CB 1.007 39.445 38.460 -0.036 0.000 1.305 363 Y HN -0.002 nan 8.280 nan 0.000 0.502 364 I N 4.225 124.901 120.570 0.178 0.000 2.318 364 I HA 0.175 4.347 4.170 0.003 0.000 0.285 364 I C -2.532 173.664 176.117 0.132 0.000 1.127 364 I CA -2.757 58.615 61.300 0.120 0.000 1.243 364 I CB -0.606 37.444 38.000 0.084 0.000 1.498 364 I HN 0.215 nan 8.210 nan 0.000 0.535 365 P HA -0.142 nan 4.420 nan 0.000 0.258 365 P C 1.049 178.433 177.300 0.139 0.000 1.172 365 P CA 0.217 63.388 63.100 0.117 0.000 0.762 365 P CB 0.487 32.249 31.700 0.104 0.000 0.764 366 F N 3.782 123.759 119.950 0.045 0.000 2.184 366 F HA -0.193 4.336 4.527 0.004 0.000 0.301 366 F C 0.884 176.743 175.800 0.098 0.000 1.076 366 F CA 1.334 59.369 58.000 0.058 0.000 1.295 366 F CB -0.022 38.998 39.000 0.033 0.000 1.026 366 F HN 0.258 nan 8.300 nan 0.000 0.494 367 D N 0.546 121.094 120.400 0.247 0.000 2.295 367 D HA 0.008 4.650 4.640 0.003 0.000 0.248 367 D C 0.658 177.077 176.300 0.198 0.000 1.154 367 D CA -0.181 53.973 54.000 0.256 0.000 0.857 367 D CB 1.304 42.364 40.800 0.434 0.000 1.117 367 D HN 0.285 nan 8.370 nan 0.000 0.468 368 Q N 2.369 122.253 119.800 0.140 0.000 2.245 368 Q HA -0.109 4.233 4.340 0.003 0.000 0.201 368 Q C 1.066 177.224 176.000 0.263 0.000 0.955 368 Q CA 0.757 56.652 55.803 0.152 0.000 0.870 368 Q CB -0.023 28.758 28.738 0.072 0.000 0.945 368 Q HN 0.618 nan 8.270 nan 0.000 0.461 369 D N 0.080 120.684 120.400 0.341 0.000 2.403 369 D HA -0.087 4.555 4.640 0.003 0.000 0.227 369 D C 1.058 177.722 176.300 0.607 0.000 0.995 369 D CA 0.396 54.660 54.000 0.441 0.000 0.928 369 D CB 0.045 41.127 40.800 0.471 0.000 0.887 369 D HN 0.114 nan 8.370 nan 0.000 0.529 370 L N -0.106 121.470 121.223 0.588 0.000 2.769 370 L HA 0.232 4.573 4.340 0.003 0.000 0.240 370 L C -0.007 177.210 176.870 0.578 0.000 1.163 370 L CA -0.220 55.014 54.840 0.657 0.000 0.962 370 L CB 0.114 42.426 42.059 0.421 0.000 1.258 370 L HN 0.048 nan 8.230 nan 0.000 0.513 371 S N -2.331 113.678 115.700 0.516 0.000 2.600 371 S HA 0.318 4.790 4.470 0.003 0.000 0.300 371 S C 0.841 175.658 174.600 0.361 0.000 1.087 371 S CA -0.672 57.780 58.200 0.421 0.000 0.965 371 S CB 2.070 65.411 63.200 0.235 0.000 1.089 371 S HN 0.316 nan 8.310 nan 0.000 0.496 372 K N 1.064 121.632 120.400 0.280 0.000 2.113 372 K HA -0.285 4.037 4.320 0.003 0.000 0.224 372 K C 0.271 176.901 176.600 0.050 0.000 0.975 372 K CA 1.849 58.208 56.287 0.121 0.000 0.973 372 K CB -1.027 31.531 32.500 0.097 0.000 0.867 372 K HN 0.427 nan 8.250 nan 0.000 0.470 373 K N 2.414 122.859 120.400 0.075 0.000 2.597 373 K HA -0.060 4.262 4.320 0.003 0.000 0.228 373 K C -0.421 176.221 176.600 0.069 0.000 1.138 373 K CA 0.432 56.747 56.287 0.046 0.000 1.185 373 K CB -1.180 31.348 32.500 0.046 0.000 1.195 373 K HN 0.428 nan 8.250 nan 0.000 0.237 374 H N -0.098 118.904 119.070 -0.113 0.000 2.820 374 H HA 0.351 4.909 4.556 0.003 0.000 0.278 374 H C 1.181 176.411 175.328 -0.163 0.000 1.142 374 H CA 0.854 56.800 56.048 -0.170 0.000 1.346 374 H CB 0.165 29.651 29.762 -0.460 0.000 1.438 374 H HN 0.615 nan 8.280 nan 0.000 0.473 375 G N 3.859 112.477 108.800 -0.305 0.000 2.796 375 G HA2 -0.231 3.731 3.960 0.003 0.000 0.198 375 G HA3 -0.231 3.731 3.960 0.003 0.000 0.198 375 G C 0.036 174.853 174.900 -0.138 0.000 1.062 375 G CA -0.387 44.535 45.100 -0.298 0.000 0.752 375 G HN 0.540 nan 8.290 nan 0.000 0.487 376 Q N 2.315 122.064 119.800 -0.086 0.000 2.426 376 Q HA 0.289 4.631 4.340 0.003 0.000 0.253 376 Q C 1.600 177.585 176.000 -0.025 0.000 1.313 376 Q CA 0.393 56.169 55.803 -0.046 0.000 0.902 376 Q CB 0.779 29.502 28.738 -0.025 0.000 1.563 376 Q HN 0.533 nan 8.270 nan 0.000 0.517 377 Q N 1.782 121.563 119.800 -0.031 0.000 2.012 377 Q HA -0.249 4.093 4.340 0.003 0.000 0.211 377 Q C 1.274 177.275 176.000 0.002 0.000 1.009 377 Q CA 1.859 57.654 55.803 -0.012 0.000 0.866 377 Q CB -0.031 28.696 28.738 -0.018 0.000 0.945 377 Q HN 0.681 nan 8.270 nan 0.000 0.414 378 L N 0.510 121.731 121.223 -0.003 0.000 2.141 378 L HA -0.084 4.258 4.340 0.003 0.000 0.209 378 L C 2.367 179.239 176.870 0.003 0.000 1.094 378 L CA 1.881 56.721 54.840 0.001 0.000 0.763 378 L CB -0.840 41.217 42.059 -0.003 0.000 0.908 378 L HN 0.285 nan 8.230 nan 0.000 0.437 379 A N -1.385 121.436 122.820 0.002 0.000 1.873 379 A HA -0.136 4.186 4.320 0.003 0.000 0.215 379 A C 2.225 179.818 177.584 0.015 0.000 1.186 379 A CA 1.961 54.001 52.037 0.004 0.000 0.616 379 A CB -0.892 18.111 19.000 0.004 0.000 0.823 379 A HN 0.229 nan 8.150 nan 0.000 0.442 380 V N -0.189 119.741 119.914 0.027 0.000 2.379 380 V HA -0.187 3.935 4.120 0.003 0.000 0.245 380 V C 2.510 178.625 176.094 0.035 0.000 1.044 380 V CA 2.201 64.529 62.300 0.047 0.000 1.036 380 V CB -0.783 31.086 31.823 0.077 0.000 0.664 380 V HN 0.650 nan 8.190 nan 0.000 0.453 381 E N 0.666 120.883 120.200 0.029 0.000 2.118 381 E HA -0.237 4.115 4.350 0.003 0.000 0.195 381 E C 2.214 178.823 176.600 0.014 0.000 0.992 381 E CA 1.627 58.043 56.400 0.026 0.000 0.804 381 E CB -0.178 29.535 29.700 0.022 0.000 0.741 381 E HN 0.523 nan 8.360 nan 0.000 0.458 382 K N -1.323 119.081 120.400 0.008 0.000 2.262 382 K HA 0.044 4.366 4.320 0.003 0.000 0.200 382 K C 1.987 178.583 176.600 -0.007 0.000 1.049 382 K CA 0.669 56.956 56.287 0.001 0.000 0.979 382 K CB -0.114 32.384 32.500 -0.003 0.000 0.773 382 K HN 0.225 nan 8.250 nan 0.000 0.474 383 G N 1.836 110.633 108.800 -0.004 0.000 2.514 383 G HA2 -0.308 3.654 3.960 0.003 0.000 0.217 383 G HA3 -0.308 3.654 3.960 0.003 0.000 0.217 383 G C 1.234 176.104 174.900 -0.050 0.000 1.198 383 G CA 1.017 46.110 45.100 -0.012 0.000 0.780 383 G HN 0.280 nan 8.290 nan 0.000 0.565 384 N N 0.700 119.360 118.700 -0.067 0.000 2.043 384 N HA -0.103 4.639 4.740 0.003 0.000 0.193 384 N C 2.102 177.541 175.510 -0.119 0.000 1.037 384 N CA 0.822 53.773 53.050 -0.165 0.000 0.851 384 N CB -0.696 37.726 38.487 -0.108 0.000 1.027 384 N HN 0.063 nan 8.380 nan 0.000 0.422 385 L N 1.495 122.692 121.223 -0.043 0.000 2.230 385 L HA -0.199 4.143 4.340 0.003 0.000 0.217 385 L C 2.040 178.906 176.870 -0.005 0.000 1.090 385 L CA 1.657 56.491 54.840 -0.011 0.000 0.771 385 L CB -0.974 41.088 42.059 0.005 0.000 0.892 385 L HN 0.218 nan 8.230 nan 0.000 0.438 386 E N -0.724 119.466 120.200 -0.016 0.000 2.190 386 E HA -0.053 4.299 4.350 0.003 0.000 0.191 386 E C 1.860 178.458 176.600 -0.003 0.000 0.978 386 E CA 0.735 57.145 56.400 0.016 0.000 0.839 386 E CB 0.104 29.830 29.700 0.044 0.000 0.787 386 E HN 0.571 nan 8.360 nan 0.000 0.473 387 N N 0.135 118.796 118.700 -0.064 0.000 2.135 387 N HA -0.099 4.643 4.740 0.003 0.000 0.186 387 N C 1.555 177.077 175.510 0.020 0.000 1.027 387 N CA 0.869 53.883 53.050 -0.060 0.000 0.849 387 N CB -0.017 38.350 38.487 -0.201 0.000 1.002 387 N HN 0.010 nan 8.380 nan 0.000 0.425 388 K N 1.485 121.892 120.400 0.012 0.000 2.052 388 K HA -0.231 4.091 4.320 0.003 0.000 0.215 388 K C 2.036 178.689 176.600 0.089 0.000 1.053 388 K CA 1.357 57.714 56.287 0.116 0.000 0.934 388 K CB -0.172 32.388 32.500 0.099 0.000 0.717 388 K HN 0.165 nan 8.250 nan 0.000 0.450 389 K N 0.811 121.246 120.400 0.058 0.000 2.057 389 K HA -0.083 4.239 4.320 0.003 0.000 0.206 389 K C 2.161 178.805 176.600 0.073 0.000 1.050 389 K CA 1.347 57.667 56.287 0.054 0.000 0.935 389 K CB 0.037 32.567 32.500 0.051 0.000 0.715 389 K HN -0.006 nan 8.250 nan 0.000 0.439 390 S N 1.073 116.812 115.700 0.065 0.000 2.407 390 S HA -0.176 4.296 4.470 0.003 0.000 0.235 390 S C 1.781 176.456 174.600 0.126 0.000 1.036 390 S CA 1.495 59.736 58.200 0.070 0.000 1.013 390 S CB -0.218 62.976 63.200 -0.010 0.000 0.820 390 S HN 0.316 nan 8.310 nan 0.000 0.476 391 I N 0.200 120.831 120.570 0.102 0.000 2.556 391 I HA -0.068 4.104 4.170 0.003 0.000 0.251 391 I C 2.444 178.600 176.117 0.065 0.000 1.105 391 I CA 0.794 62.151 61.300 0.096 0.000 1.436 391 I CB -0.983 37.080 38.000 0.106 0.000 1.139 391 I HN 0.168 nan 8.210 nan 0.000 0.438 392 T N 0.946 115.532 114.554 0.052 0.000 2.592 392 T HA -0.267 4.085 4.350 0.003 0.000 0.267 392 T C 1.690 176.372 174.700 -0.031 0.000 1.060 392 T CA 1.960 64.071 62.100 0.018 0.000 1.167 392 T CB -0.341 68.539 68.868 0.020 0.000 0.863 392 T HN 0.413 nan 8.240 nan 0.000 0.431 393 E N -0.310 119.844 120.200 -0.077 0.000 2.230 393 E HA -0.013 4.339 4.350 0.003 0.000 0.192 393 E C 0.255 176.589 176.600 -0.442 0.000 0.987 393 E CA 0.581 56.823 56.400 -0.263 0.000 0.841 393 E CB 0.130 29.619 29.700 -0.351 0.000 0.783 393 E HN 0.644 nan 8.360 nan 0.000 0.481 394 H N 1.050 120.117 119.070 -0.006 0.000 2.317 394 H HA 0.102 4.658 4.556 -0.000 0.000 0.231 394 H C -0.799 174.527 175.328 -0.003 0.000 1.442 394 H CA -0.733 55.310 56.048 -0.009 0.000 1.336 394 H CB 0.089 29.839 29.762 -0.021 0.000 1.533 394 H HN 0.032 nan 8.280 nan 0.000 0.522 395 E N -0.174 120.059 120.200 0.056 0.000 2.371 395 E HA 0.396 4.748 4.350 0.003 0.000 0.257 395 E C 1.487 178.110 176.600 0.039 0.000 1.134 395 E CA -0.267 56.158 56.400 0.042 0.000 0.919 395 E CB 0.433 30.143 29.700 0.018 0.000 1.025 395 E HN 0.411 nan 8.360 nan 0.000 0.438 396 G N 0.674 109.491 108.800 0.028 0.000 2.284 396 G HA2 -0.432 3.530 3.960 0.003 0.000 0.261 396 G HA3 -0.432 3.530 3.960 0.003 0.000 0.261 396 G C 1.083 175.997 174.900 0.023 0.000 0.997 396 G CA 0.809 45.921 45.100 0.020 0.000 0.621 396 G HN 0.539 nan 8.290 nan 0.000 0.534 397 E N -0.900 119.322 120.200 0.036 0.000 2.332 397 E HA 0.370 4.722 4.350 0.003 0.000 0.202 397 E C 0.712 177.327 176.600 0.026 0.000 0.877 397 E CA 0.279 56.697 56.400 0.030 0.000 0.979 397 E CB 0.361 30.086 29.700 0.042 0.000 0.969 397 E HN 0.391 nan 8.360 nan 0.000 0.495 398 I N 0.084 120.680 120.570 0.044 0.000 2.545 398 I HA 0.661 4.833 4.170 0.003 0.000 0.292 398 I C 0.540 176.689 176.117 0.053 0.000 1.040 398 I CA -0.523 60.801 61.300 0.040 0.000 1.068 398 I CB 1.120 39.142 38.000 0.037 0.000 1.251 398 I HN 0.186 nan 8.210 nan 0.000 0.424 399 G N 5.573 114.407 108.800 0.056 0.000 2.474 399 G HA2 0.508 4.470 3.960 0.003 0.000 0.234 399 G HA3 0.508 4.470 3.960 0.003 0.000 0.234 399 G C -1.750 173.195 174.900 0.075 0.000 1.204 399 G CA -0.607 44.532 45.100 0.065 0.000 0.939 399 G HN 0.503 nan 8.290 nan 0.000 0.491 400 K N -0.318 120.103 120.400 0.035 0.000 2.426 400 K HA 0.815 5.137 4.320 0.003 0.000 0.251 400 K C -0.537 176.048 176.600 -0.024 0.000 0.941 400 K CA -0.692 55.606 56.287 0.018 0.000 0.808 400 K CB 2.450 34.932 32.500 -0.031 0.000 1.265 400 K HN 1.166 nan 8.250 nan 0.000 0.432 401 I N -2.728 117.829 120.570 -0.022 0.000 2.722 401 I HA 0.564 4.736 4.170 0.003 0.000 0.295 401 I C -2.880 173.197 176.117 -0.067 0.000 1.161 401 I CA -2.716 58.559 61.300 -0.042 0.000 1.032 401 I CB 2.633 40.618 38.000 -0.023 0.000 1.244 401 I HN 0.311 nan 8.210 nan 0.000 0.421 402 P HA 0.042 nan 4.420 nan 0.000 0.266 402 P C -0.624 176.584 177.300 -0.153 0.000 1.195 402 P CA -0.139 62.892 63.100 -0.115 0.000 0.768 402 P CB 0.404 32.045 31.700 -0.099 0.000 0.838 403 L N 4.570 125.661 121.223 -0.221 0.000 2.433 403 L HA 0.125 4.467 4.340 0.003 0.000 0.275 403 L C -0.003 176.709 176.870 -0.263 0.000 1.128 403 L CA 0.724 55.355 54.840 -0.348 0.000 0.875 403 L CB -0.537 41.261 42.059 -0.435 0.000 1.171 403 L HN 0.235 nan 8.230 nan 0.000 0.463 404 K N 5.930 126.195 120.400 -0.225 0.000 2.606 404 K HA 0.316 4.638 4.320 0.003 0.000 0.196 404 K C -1.055 175.490 176.600 -0.091 0.000 1.048 404 K CA -0.795 55.414 56.287 -0.131 0.000 1.017 404 K CB 0.571 33.027 32.500 -0.074 0.000 1.413 404 K HN 0.391 nan 8.250 nan 0.000 0.568 405 L N 4.030 125.186 121.223 -0.111 0.000 2.654 405 L HA -0.081 4.261 4.340 0.003 0.000 0.271 405 L C 0.999 177.865 176.870 -0.008 0.000 1.169 405 L CA 0.644 55.457 54.840 -0.046 0.000 0.947 405 L CB -0.713 41.304 42.059 -0.070 0.000 1.232 405 L HN 0.566 nan 8.230 nan 0.000 0.486 406 D N 1.623 122.050 120.400 0.045 0.000 2.356 406 D HA -0.014 4.628 4.640 0.003 0.000 0.258 406 D C 1.055 177.434 176.300 0.131 0.000 1.279 406 D CA -0.128 53.935 54.000 0.106 0.000 1.016 406 D CB 0.267 41.124 40.800 0.096 0.000 1.107 406 D HN 0.427 nan 8.370 nan 0.000 0.544 407 H N -0.652 118.395 119.070 -0.039 0.000 2.894 407 H HA -0.143 4.415 4.556 0.003 0.000 0.299 407 H C 1.990 177.294 175.328 -0.040 0.000 1.022 407 H CA 1.944 57.964 56.048 -0.046 0.000 1.061 407 H CB -1.137 28.602 29.762 -0.038 0.000 1.519 407 H HN 0.257 nan 8.280 nan 0.000 0.783 408 L N -0.015 121.290 121.223 0.136 0.000 2.030 408 L HA -0.291 4.051 4.340 0.003 0.000 0.222 408 L C 2.522 179.410 176.870 0.030 0.000 1.082 408 L CA 2.273 57.146 54.840 0.055 0.000 0.785 408 L CB -1.167 40.912 42.059 0.032 0.000 0.895 408 L HN 0.199 nan 8.230 nan 0.000 0.439 409 R N 0.008 120.529 120.500 0.034 0.000 2.178 409 R HA -0.223 4.119 4.340 0.003 0.000 0.257 409 R C 2.123 178.427 176.300 0.007 0.000 1.163 409 R CA 1.774 57.889 56.100 0.026 0.000 0.981 409 R CB -0.759 29.570 30.300 0.048 0.000 0.878 409 R HN 0.348 nan 8.270 nan 0.000 0.454 410 I N 0.854 121.420 120.570 -0.007 0.000 2.286 410 I HA -0.199 3.973 4.170 0.003 0.000 0.248 410 I C 1.678 177.780 176.117 -0.025 0.000 1.115 410 I CA 1.604 62.885 61.300 -0.032 0.000 1.392 410 I CB -0.783 37.176 38.000 -0.067 0.000 1.065 410 I HN 0.382 nan 8.210 nan 0.000 0.418 411 E N -0.146 120.044 120.200 -0.016 0.000 2.274 411 E HA -0.214 4.138 4.350 0.003 0.000 0.194 411 E C 1.913 178.510 176.600 -0.004 0.000 0.996 411 E CA 0.556 56.949 56.400 -0.011 0.000 0.840 411 E CB 0.075 29.771 29.700 -0.007 0.000 0.772 411 E HN 0.510 nan 8.360 nan 0.000 0.491 412 E N 1.012 121.211 120.200 -0.002 0.000 2.076 412 E HA -0.089 4.263 4.350 0.003 0.000 0.190 412 E C 1.430 178.030 176.600 0.000 0.000 0.979 412 E CA 0.371 56.772 56.400 0.001 0.000 0.807 412 E CB 0.144 29.846 29.700 0.003 0.000 0.761 412 E HN 0.188 nan 8.360 nan 0.000 0.454 413 L N 1.157 122.377 121.223 -0.005 0.000 2.762 413 L HA 0.065 4.407 4.340 0.003 0.000 0.250 413 L C 2.025 178.892 176.870 -0.006 0.000 1.160 413 L CA 0.177 55.012 54.840 -0.009 0.000 0.951 413 L CB -0.333 41.710 42.059 -0.025 0.000 1.148 413 L HN 0.065 nan 8.230 nan 0.000 0.424 414 K N 1.049 121.449 120.400 -0.000 0.000 2.354 414 K HA -0.024 4.298 4.320 0.003 0.000 0.210 414 K C 1.807 178.414 176.600 0.011 0.000 1.184 414 K CA 0.676 56.966 56.287 0.005 0.000 0.880 414 K CB 0.198 32.699 32.500 0.002 0.000 1.328 414 K HN 0.280 nan 8.250 nan 0.000 0.466 415 E N 0.624 120.829 120.200 0.009 0.000 2.268 415 E HA -0.169 4.183 4.350 0.003 0.000 0.195 415 E C 1.170 177.778 176.600 0.014 0.000 0.995 415 E CA 0.955 57.362 56.400 0.011 0.000 0.836 415 E CB -0.239 29.466 29.700 0.008 0.000 0.763 415 E HN 0.181 nan 8.360 nan 0.000 0.491 416 N N 0.689 119.397 118.700 0.014 0.000 2.446 416 N HA -0.034 4.708 4.740 0.003 0.000 0.179 416 N C 1.005 176.529 175.510 0.023 0.000 1.054 416 N CA 1.194 54.254 53.050 0.018 0.000 0.905 416 N CB 0.454 38.950 38.487 0.015 0.000 0.973 416 N HN 0.470 nan 8.380 nan 0.000 0.448 417 G N 1.032 109.845 108.800 0.022 0.000 2.143 417 G HA2 -0.211 3.751 3.960 0.003 0.000 0.249 417 G HA3 -0.211 3.751 3.960 0.003 0.000 0.249 417 G C 0.903 175.823 174.900 0.034 0.000 0.981 417 G CA 0.174 45.291 45.100 0.029 0.000 0.665 417 G HN 0.264 nan 8.290 nan 0.000 0.528 418 I N 0.552 121.136 120.570 0.023 0.000 2.315 418 I HA 0.131 4.303 4.170 0.003 0.000 0.248 418 I C 1.714 177.830 176.117 -0.003 0.000 1.117 418 I CA 1.751 63.062 61.300 0.017 0.000 1.404 418 I CB -0.904 37.092 38.000 -0.007 0.000 1.071 418 I HN 0.632 nan 8.210 nan 0.000 0.419 419 I N -1.665 118.900 120.570 -0.008 0.000 2.894 419 I HA 0.454 4.626 4.170 0.003 0.000 0.302 419 I C -1.102 175.025 176.117 0.018 0.000 1.188 419 I CA -0.973 60.323 61.300 -0.008 0.000 1.014 419 I CB 3.089 41.058 38.000 -0.052 0.000 1.242 419 I HN -0.260 nan 8.210 nan 0.000 0.430 420 L N 3.640 124.887 121.223 0.041 0.000 2.325 420 L HA 0.546 4.888 4.340 0.003 0.000 0.281 420 L C -1.025 175.882 176.870 0.063 0.000 1.004 420 L CA -0.383 54.488 54.840 0.051 0.000 0.823 420 L CB 1.656 43.754 42.059 0.064 0.000 1.236 420 L HN 0.863 nan 8.230 nan 0.000 0.415 421 K N 4.017 124.449 120.400 0.054 0.000 2.266 421 K HA 0.556 4.878 4.320 0.003 0.000 0.274 421 K C 0.028 176.682 176.600 0.089 0.000 1.090 421 K CA -0.118 56.212 56.287 0.071 0.000 0.925 421 K CB 0.964 33.488 32.500 0.039 0.000 1.225 421 K HN 0.951 nan 8.250 nan 0.000 0.458 422 G N 2.716 111.580 108.800 0.107 0.000 3.407 422 G HA2 0.132 4.094 3.960 0.003 0.000 0.187 422 G HA3 0.132 4.094 3.960 0.003 0.000 0.187 422 G C -0.824 174.138 174.900 0.104 0.000 1.262 422 G CA -0.546 44.613 45.100 0.098 0.000 0.808 422 G HN 0.535 nan 8.290 nan 0.000 0.687 423 K N 0.720 121.170 120.400 0.083 0.000 2.611 423 K HA 0.024 4.346 4.320 0.003 0.000 0.280 423 K C -0.027 176.606 176.600 0.056 0.000 0.964 423 K CA 0.930 57.255 56.287 0.063 0.000 1.029 423 K CB 0.233 32.770 32.500 0.061 0.000 0.862 423 K HN 0.351 nan 8.250 nan 0.000 0.501 424 K N 1.771 122.171 120.400 -0.001 0.000 2.380 424 K HA 0.442 4.764 4.320 0.003 0.000 0.243 424 K C -0.901 175.665 176.600 -0.057 0.000 1.071 424 K CA -0.925 55.315 56.287 -0.078 0.000 0.942 424 K CB 1.232 33.593 32.500 -0.232 0.000 1.324 424 K HN 0.482 nan 8.250 nan 0.000 0.517 425 E N -0.027 120.112 120.200 -0.102 0.000 2.417 425 E HA 0.347 4.699 4.350 0.003 0.000 0.280 425 E C -1.909 174.609 176.600 -0.137 0.000 1.112 425 E CA -0.545 55.811 56.400 -0.072 0.000 0.863 425 E CB 1.192 30.894 29.700 0.004 0.000 1.346 425 E HN 0.339 nan 8.360 nan 0.000 0.443 426 I N 2.797 123.290 120.570 -0.129 0.000 2.437 426 I HA 0.287 4.459 4.170 0.003 0.000 0.279 426 I C 0.069 176.071 176.117 -0.192 0.000 1.028 426 I CA -0.245 60.946 61.300 -0.181 0.000 1.142 426 I CB 1.114 39.038 38.000 -0.126 0.000 1.266 426 I HN 0.536 nan 8.210 nan 0.000 0.461 427 D N 3.511 123.722 120.400 -0.315 0.000 2.735 427 D HA 0.087 4.729 4.640 0.003 0.000 0.267 427 D C 0.603 176.803 176.300 -0.165 0.000 1.081 427 D CA 1.095 54.961 54.000 -0.224 0.000 0.980 427 D CB 0.733 41.377 40.800 -0.260 0.000 1.129 427 D HN 0.341 nan 8.370 nan 0.000 0.459 428 N N -0.533 118.050 118.700 -0.196 0.000 2.480 428 N HA 0.346 5.088 4.740 0.003 0.000 0.281 428 N C 0.301 175.738 175.510 -0.122 0.000 1.381 428 N CA 0.321 53.302 53.050 -0.115 0.000 0.903 428 N CB 1.406 39.848 38.487 -0.074 0.000 1.274 428 N HN 0.274 nan 8.380 nan 0.000 0.505 429 G N 0.523 109.229 108.800 -0.157 0.000 2.143 429 G HA2 -0.211 3.751 3.960 0.003 0.000 0.175 429 G HA3 -0.211 3.751 3.960 0.003 0.000 0.175 429 G C -0.239 174.554 174.900 -0.178 0.000 1.004 429 G CA -0.449 44.567 45.100 -0.141 0.000 0.671 429 G HN 0.282 nan 8.290 nan 0.000 0.512 430 K N -0.103 120.118 120.400 -0.298 0.000 2.426 430 K HA 0.520 4.841 4.320 0.003 0.000 0.251 430 K C -0.371 175.975 176.600 -0.423 0.000 0.941 430 K CA -0.971 55.119 56.287 -0.327 0.000 0.808 430 K CB 2.126 34.412 32.500 -0.356 0.000 1.265 430 K HN 0.043 nan 8.250 nan 0.000 0.432 431 K N 2.188 122.460 120.400 -0.214 0.000 2.312 431 K HA 0.197 4.519 4.320 0.003 0.000 0.287 431 K C -0.991 175.638 176.600 0.049 0.000 1.062 431 K CA -0.023 56.157 56.287 -0.178 0.000 0.934 431 K CB 0.480 32.892 32.500 -0.148 0.000 1.027 431 K HN 0.511 nan 8.250 nan 0.000 0.478 432 Y N 3.422 123.608 120.300 -0.189 0.000 2.376 432 Y HA 0.144 4.696 4.550 0.004 0.000 0.326 432 Y C -0.023 175.802 175.900 -0.125 0.000 0.970 432 Y CA -1.363 56.667 58.100 -0.116 0.000 1.248 432 Y CB 0.764 39.109 38.460 -0.192 0.000 1.117 432 Y HN 0.515 nan 8.280 nan 0.000 0.476 433 Y N 2.512 122.864 120.300 0.087 0.000 2.153 433 Y HA 0.068 4.620 4.550 0.003 0.000 0.383 433 Y C 0.168 176.097 175.900 0.049 0.000 1.281 433 Y CA -0.234 57.895 58.100 0.048 0.000 1.804 433 Y CB 0.351 38.821 38.460 0.017 0.000 1.546 433 Y HN 0.317 nan 8.280 nan 0.000 0.694 434 L N 1.926 123.267 121.223 0.195 0.000 2.491 434 L HA 0.380 4.721 4.340 0.003 0.000 0.267 434 L C -1.627 175.349 176.870 0.177 0.000 0.971 434 L CA -0.452 54.485 54.840 0.161 0.000 0.857 434 L CB 0.677 42.842 42.059 0.176 0.000 1.226 434 L HN 0.525 nan 8.230 nan 0.000 0.408 435 L N 3.694 125.022 121.223 0.174 0.000 2.319 435 L HA 0.328 4.670 4.340 0.003 0.000 0.280 435 L C 0.142 177.146 176.870 0.224 0.000 1.099 435 L CA -0.254 54.678 54.840 0.154 0.000 0.828 435 L CB 1.473 43.582 42.059 0.083 0.000 1.150 435 L HN 0.593 nan 8.230 nan 0.000 0.442 436 E N 2.597 122.900 120.200 0.172 0.000 2.204 436 E HA 0.482 4.834 4.350 0.003 0.000 0.276 436 E C -1.054 175.643 176.600 0.161 0.000 0.974 436 E CA -0.239 56.280 56.400 0.198 0.000 0.815 436 E CB 1.764 31.558 29.700 0.157 0.000 1.119 436 E HN 0.423 nan 8.360 nan 0.000 0.393 437 S N 3.323 119.156 115.700 0.222 0.000 2.546 437 S HA 0.271 4.743 4.470 0.003 0.000 0.272 437 S C 0.034 174.782 174.600 0.247 0.000 1.140 437 S CA -0.734 57.581 58.200 0.192 0.000 0.920 437 S CB 0.838 64.114 63.200 0.126 0.000 1.083 437 S HN 0.690 nan 8.310 nan 0.000 0.476 438 N N 2.960 121.781 118.700 0.201 0.000 2.666 438 N HA -0.100 4.642 4.740 0.003 0.000 0.194 438 N C 0.526 176.163 175.510 0.211 0.000 1.220 438 N CA 0.044 53.201 53.050 0.179 0.000 0.928 438 N CB -0.172 38.392 38.487 0.129 0.000 0.997 438 N HN 0.632 nan 8.380 nan 0.000 0.447 439 N N 1.547 120.445 118.700 0.330 0.000 2.344 439 N HA -0.143 4.599 4.740 0.003 0.000 0.236 439 N C 0.409 176.060 175.510 0.235 0.000 1.279 439 N CA 0.572 53.830 53.050 0.345 0.000 0.882 439 N CB 0.715 39.620 38.487 0.696 0.000 1.110 439 N HN 0.324 nan 8.380 nan 0.000 0.436 440 Q N 0.820 120.716 119.800 0.160 0.000 2.175 440 Q HA 0.297 4.639 4.340 0.003 0.000 0.225 440 Q C -0.205 175.832 176.000 0.063 0.000 0.837 440 Q CA -0.335 55.525 55.803 0.096 0.000 1.032 440 Q CB 0.444 29.212 28.738 0.050 0.000 1.137 440 Q HN 0.356 nan 8.270 nan 0.000 0.483 441 V N -1.244 118.718 119.914 0.081 0.000 3.213 441 V HA 0.219 4.341 4.120 0.003 0.000 0.260 441 V C -0.321 175.920 176.094 0.245 0.000 1.663 441 V CA -0.076 62.250 62.300 0.044 0.000 1.026 441 V CB 0.436 32.199 31.823 -0.100 0.000 0.874 441 V HN 0.339 nan 8.190 nan 0.000 0.410 442 Y N 0.949 121.267 120.300 0.031 0.000 2.376 442 Y HA 0.655 5.206 4.550 0.002 0.000 0.340 442 Y C 0.043 175.728 175.900 -0.358 0.000 0.965 442 Y CA -0.872 57.103 58.100 -0.208 0.000 1.078 442 Y CB 2.066 40.507 38.460 -0.031 0.000 1.193 442 Y HN 0.167 nan 8.280 nan 0.000 0.452 443 E N 2.721 122.653 120.200 -0.446 0.000 2.221 443 E HA 0.537 4.889 4.350 0.003 0.000 0.268 443 E C -1.665 174.672 176.600 -0.438 0.000 0.933 443 E CA -0.793 55.458 56.400 -0.247 0.000 0.809 443 E CB 2.156 31.753 29.700 -0.172 0.000 1.190 443 E HN 0.330 nan 8.360 nan 0.000 0.406 444 F N 0.688 120.873 119.950 0.392 0.000 2.576 444 F HA 0.522 5.050 4.527 0.003 0.000 0.313 444 F C -0.183 175.829 175.800 0.352 0.000 1.078 444 F CA -1.065 57.206 58.000 0.452 0.000 0.921 444 F CB 1.696 40.813 39.000 0.194 0.000 1.232 444 F HN 0.322 nan 8.300 nan 0.000 0.459 445 R N 2.343 122.983 120.500 0.234 0.000 2.651 445 R HA 0.793 5.135 4.340 0.003 0.000 0.278 445 R C -2.084 174.028 176.300 -0.314 0.000 1.010 445 R CA -0.794 55.202 56.100 -0.174 0.000 0.896 445 R CB 2.581 32.472 30.300 -0.682 0.000 1.211 445 R HN 0.858 nan 8.270 nan 0.000 0.456 446 I N 2.772 123.203 120.570 -0.232 0.000 2.410 446 I HA 0.222 4.394 4.170 0.003 0.000 0.286 446 I C 0.068 176.065 176.117 -0.200 0.000 1.009 446 I CA -0.436 60.727 61.300 -0.229 0.000 1.111 446 I CB 1.929 39.866 38.000 -0.105 0.000 1.262 446 I HN 0.979 nan 8.210 nan 0.000 0.443 447 S N 4.869 120.368 115.700 -0.334 0.000 2.587 447 S HA -0.115 4.357 4.470 0.003 0.000 0.257 447 S C 0.734 175.427 174.600 0.156 0.000 1.397 447 S CA 0.794 58.985 58.200 -0.015 0.000 0.983 447 S CB 0.648 63.858 63.200 0.017 0.000 0.885 447 S HN 0.875 nan 8.310 nan 0.000 0.556 448 D N -0.127 120.415 120.400 0.235 0.000 2.725 448 D HA 0.053 4.695 4.640 0.003 0.000 0.269 448 D C 1.782 178.138 176.300 0.093 0.000 1.018 448 D CA 0.636 54.752 54.000 0.194 0.000 0.956 448 D CB -0.382 40.561 40.800 0.238 0.000 1.141 448 D HN 0.769 nan 8.370 nan 0.000 0.478 449 E N 0.520 120.770 120.200 0.083 0.000 2.045 449 E HA -0.163 4.189 4.350 0.003 0.000 0.212 449 E C 0.617 177.235 176.600 0.030 0.000 1.039 449 E CA 1.306 57.733 56.400 0.045 0.000 0.860 449 E CB -0.003 29.722 29.700 0.042 0.000 0.776 449 E HN 0.402 nan 8.360 nan 0.000 0.467 450 N N -0.903 117.813 118.700 0.026 0.000 2.457 450 N HA 0.123 4.865 4.740 0.003 0.000 0.290 450 N C -0.757 174.746 175.510 -0.012 0.000 1.232 450 N CA -0.526 52.526 53.050 0.004 0.000 0.852 450 N CB 0.750 39.233 38.487 -0.007 0.000 1.313 450 N HN -0.062 nan 8.380 nan 0.000 0.522 451 N N -0.502 118.178 118.700 -0.035 0.000 2.279 451 N HA 0.076 4.817 4.740 0.003 0.000 0.226 451 N C -0.671 174.779 175.510 -0.100 0.000 1.126 451 N CA -0.234 52.777 53.050 -0.065 0.000 0.846 451 N CB 0.285 38.732 38.487 -0.066 0.000 1.050 451 N HN 0.511 nan 8.380 nan 0.000 0.502 452 E N 0.236 120.374 120.200 -0.103 0.000 2.485 452 E HA 0.009 4.361 4.350 0.003 0.000 0.266 452 E C -0.310 176.179 176.600 -0.184 0.000 1.090 452 E CA 0.460 56.778 56.400 -0.137 0.000 0.987 452 E CB 0.785 30.413 29.700 -0.121 0.000 0.974 452 E HN -0.067 nan 8.360 nan 0.000 0.455 453 V N 1.546 121.350 119.914 -0.184 0.000 2.864 453 V HA 0.329 4.451 4.120 0.003 0.000 0.314 453 V C -0.377 175.645 176.094 -0.120 0.000 1.073 453 V CA -0.744 61.456 62.300 -0.168 0.000 0.956 453 V CB 1.945 33.679 31.823 -0.148 0.000 1.023 453 V HN 0.632 nan 8.190 nan 0.000 0.435 454 Q N 1.996 121.770 119.800 -0.043 0.000 2.456 454 Q HA 0.686 5.028 4.340 0.003 0.000 0.284 454 Q C -1.694 174.671 176.000 0.607 0.000 1.061 454 Q CA -0.782 55.115 55.803 0.157 0.000 0.799 454 Q CB 3.251 31.949 28.738 -0.067 0.000 1.445 454 Q HN 0.872 nan 8.270 nan 0.000 0.411 455 Y N -1.579 118.952 120.300 0.386 0.000 2.728 455 Y HA 0.825 5.377 4.550 0.003 0.000 0.330 455 Y C -1.421 174.439 175.900 -0.067 0.000 1.234 455 Y CA -1.285 56.836 58.100 0.036 0.000 1.070 455 Y CB 1.878 40.088 38.460 -0.416 0.000 1.300 455 Y HN 0.691 nan 8.280 nan 0.000 0.467 456 K N -0.800 119.245 120.400 -0.592 0.000 2.735 456 K HA 0.357 4.679 4.320 0.003 0.000 0.295 456 K C -1.700 174.503 176.600 -0.661 0.000 1.052 456 K CA -0.755 55.224 56.287 -0.513 0.000 0.853 456 K CB 1.519 33.663 32.500 -0.593 0.000 1.535 456 K HN 0.804 nan 8.250 nan 0.000 0.383 457 T N -0.286 113.885 114.554 -0.638 0.000 2.794 457 T HA 0.271 4.623 4.350 0.003 0.000 0.296 457 T C -0.082 174.445 174.700 -0.287 0.000 0.949 457 T CA -0.773 61.080 62.100 -0.413 0.000 1.101 457 T CB 0.581 69.195 68.868 -0.423 0.000 0.905 457 T HN 0.472 nan 8.240 nan 0.000 0.516 458 K N 2.767 123.059 120.400 -0.181 0.000 2.469 458 K HA -0.011 4.311 4.320 0.003 0.000 0.274 458 K C 1.307 177.829 176.600 -0.129 0.000 0.983 458 K CA 0.010 56.207 56.287 -0.150 0.000 0.974 458 K CB 0.484 32.940 32.500 -0.074 0.000 0.913 458 K HN 0.724 nan 8.250 nan 0.000 0.493 459 E N 0.724 120.856 120.200 -0.114 0.000 2.396 459 E HA -0.150 4.202 4.350 0.003 0.000 0.200 459 E C 1.009 177.570 176.600 -0.064 0.000 1.023 459 E CA 0.830 57.178 56.400 -0.087 0.000 0.857 459 E CB 0.014 29.674 29.700 -0.066 0.000 0.775 459 E HN 0.754 nan 8.360 nan 0.000 0.525 460 G N 0.526 109.291 108.800 -0.057 0.000 4.144 460 G HA2 0.224 4.186 3.960 0.003 0.000 0.297 460 G HA3 0.224 4.186 3.960 0.003 0.000 0.297 460 G C -0.147 174.727 174.900 -0.043 0.000 1.090 460 G CA -0.303 44.772 45.100 -0.043 0.000 0.870 460 G HN -0.132 nan 8.290 nan 0.000 0.532 461 K N -0.273 120.094 120.400 -0.056 0.000 2.571 461 K HA 0.727 5.049 4.320 0.003 0.000 0.289 461 K C -1.744 174.814 176.600 -0.070 0.000 1.028 461 K CA -0.681 55.574 56.287 -0.054 0.000 0.895 461 K CB 1.891 34.367 32.500 -0.040 0.000 1.534 461 K HN -0.007 nan 8.250 nan 0.000 0.421 462 I N -0.503 120.028 120.570 -0.065 0.000 3.279 462 I HA 0.481 4.653 4.170 0.003 0.000 0.315 462 I C -0.976 175.110 176.117 -0.053 0.000 1.187 462 I CA -0.720 60.535 61.300 -0.075 0.000 0.953 462 I CB 2.575 40.537 38.000 -0.064 0.000 1.279 462 I HN 0.543 nan 8.210 nan 0.000 0.465 463 T N 3.299 117.826 114.554 -0.045 0.000 2.771 463 T HA 0.172 4.524 4.350 0.003 0.000 0.291 463 T C 1.384 176.085 174.700 0.002 0.000 0.954 463 T CA -0.310 61.802 62.100 0.021 0.000 1.045 463 T CB 1.339 70.235 68.868 0.047 0.000 0.917 463 T HN 0.502 nan 8.240 nan 0.000 0.484 464 V N 3.215 123.121 119.914 -0.014 0.000 2.313 464 V HA -0.185 3.937 4.120 0.003 0.000 0.253 464 V C 1.980 178.074 176.094 -0.000 0.000 1.070 464 V CA 1.702 63.984 62.300 -0.031 0.000 1.057 464 V CB -1.055 30.733 31.823 -0.059 0.000 0.653 464 V HN 0.684 nan 8.190 nan 0.000 0.450 465 L N 1.821 123.065 121.223 0.035 0.000 2.633 465 L HA 0.343 4.685 4.340 0.003 0.000 0.235 465 L C 1.824 178.714 176.870 0.034 0.000 1.163 465 L CA 1.409 56.275 54.840 0.043 0.000 0.859 465 L CB -1.241 40.865 42.059 0.078 0.000 0.973 465 L HN 0.841 nan 8.230 nan 0.000 0.451 466 G N -0.540 108.272 108.800 0.019 0.000 2.207 466 G HA2 -0.212 3.750 3.960 0.003 0.000 0.216 466 G HA3 -0.212 3.750 3.960 0.003 0.000 0.216 466 G C 0.051 174.958 174.900 0.012 0.000 1.053 466 G CA -0.330 44.775 45.100 0.008 0.000 0.764 466 G HN 0.378 nan 8.290 nan 0.000 0.495 467 E N -0.406 119.799 120.200 0.009 0.000 2.227 467 E HA 0.642 4.994 4.350 0.003 0.000 0.268 467 E C -0.195 176.335 176.600 -0.117 0.000 0.907 467 E CA -0.899 55.501 56.400 0.001 0.000 0.786 467 E CB 1.908 31.657 29.700 0.082 0.000 1.191 467 E HN 0.183 nan 8.360 nan 0.000 0.411 468 K N 3.649 123.974 120.400 -0.125 0.000 2.668 468 K HA 0.286 4.608 4.320 0.003 0.000 0.246 468 K C -1.758 174.750 176.600 -0.154 0.000 0.976 468 K CA -0.492 55.658 56.287 -0.227 0.000 0.902 468 K CB 0.479 32.904 32.500 -0.126 0.000 1.172 468 K HN 0.379 nan 8.250 nan 0.000 0.452 469 F N 0.282 120.130 119.950 -0.169 0.000 2.603 469 F HA 0.573 5.101 4.527 0.002 0.000 0.317 469 F C -0.633 175.007 175.800 -0.268 0.000 1.066 469 F CA -1.319 56.564 58.000 -0.196 0.000 0.941 469 F CB 0.886 39.766 39.000 -0.199 0.000 1.291 469 F HN 0.205 nan 8.300 nan 0.000 0.472 470 N N 0.667 119.457 118.700 0.150 0.000 2.508 470 N HA 0.141 4.883 4.740 0.003 0.000 0.285 470 N C -1.006 174.555 175.510 0.084 0.000 1.144 470 N CA -0.431 52.631 53.050 0.019 0.000 0.978 470 N CB 0.873 39.378 38.487 0.030 0.000 1.180 470 N HN 0.834 nan 8.380 nan 0.000 0.484 471 W N 1.946 123.255 121.300 0.014 0.000 2.426 471 W HA -0.220 4.441 4.660 0.003 0.000 0.352 471 W C 0.584 177.080 176.519 -0.037 0.000 0.797 471 W CA 0.291 57.635 57.345 -0.001 0.000 0.813 471 W CB -0.100 29.383 29.460 0.038 0.000 0.976 471 W HN 0.191 nan 8.180 nan 0.000 0.567 472 R N 2.479 123.144 120.500 0.276 0.000 2.795 472 R HA 0.284 4.626 4.340 0.003 0.000 0.275 472 R C -0.408 175.986 176.300 0.157 0.000 0.981 472 R CA -1.469 54.686 56.100 0.090 0.000 0.917 472 R CB 1.261 31.463 30.300 -0.163 0.000 1.202 472 R HN 0.227 nan 8.270 nan 0.000 0.469 473 N N 1.192 119.908 118.700 0.026 0.000 2.508 473 N HA 0.156 4.898 4.740 0.003 0.000 0.264 473 N C -0.371 175.094 175.510 -0.074 0.000 1.216 473 N CA -0.097 52.932 53.050 -0.036 0.000 0.943 473 N CB 0.563 39.004 38.487 -0.075 0.000 1.113 473 N HN 0.396 nan 8.380 nan 0.000 0.447 474 I N 1.427 121.902 120.570 -0.159 0.000 2.308 474 I HA 0.027 4.198 4.170 0.003 0.000 0.293 474 I C 0.467 176.469 176.117 -0.192 0.000 1.078 474 I CA -0.134 61.000 61.300 -0.277 0.000 1.292 474 I CB 0.029 37.824 38.000 -0.342 0.000 1.423 474 I HN 0.369 nan 8.210 nan 0.000 0.493 475 E N 5.903 126.025 120.200 -0.130 0.000 2.319 475 E HA 0.504 4.856 4.350 0.003 0.000 0.268 475 E C -0.546 176.053 176.600 -0.002 0.000 1.050 475 E CA -0.569 55.782 56.400 -0.082 0.000 0.878 475 E CB 2.074 31.705 29.700 -0.115 0.000 1.066 475 E HN 0.446 nan 8.360 nan 0.000 0.406 476 V N -1.697 118.228 119.914 0.019 0.000 3.167 476 V HA 0.511 4.633 4.120 0.003 0.000 0.310 476 V C -0.498 175.673 176.094 0.128 0.000 1.207 476 V CA -1.352 61.000 62.300 0.088 0.000 1.059 476 V CB 1.854 33.706 31.823 0.048 0.000 1.079 476 V HN 0.496 nan 8.190 nan 0.000 0.446 477 M N 1.657 121.344 119.600 0.146 0.000 2.255 477 M HA 0.841 5.323 4.480 0.003 0.000 0.336 477 M C 0.034 176.390 176.300 0.094 0.000 1.135 477 M CA 0.104 55.477 55.300 0.122 0.000 1.145 477 M CB 0.871 33.530 32.600 0.098 0.000 1.473 477 M HN 1.311 nan 8.290 nan 0.000 0.462 478 A N 2.364 125.224 122.820 0.066 0.000 2.604 478 A HA 0.719 5.041 4.320 0.003 0.000 0.295 478 A C -1.158 176.442 177.584 0.027 0.000 1.067 478 A CA -0.977 51.087 52.037 0.046 0.000 0.683 478 A CB 1.753 20.778 19.000 0.043 0.000 1.281 478 A HN 0.816 nan 8.150 nan 0.000 0.407 479 K N 0.763 121.171 120.400 0.013 0.000 2.340 479 K HA 0.545 4.867 4.320 0.003 0.000 0.244 479 K C -0.237 176.364 176.600 0.001 0.000 0.973 479 K CA -0.800 55.489 56.287 0.003 0.000 0.828 479 K CB 1.609 34.102 32.500 -0.011 0.000 1.226 479 K HN 0.693 nan 8.250 nan 0.000 0.437 480 N N 1.034 119.735 118.700 0.001 0.000 2.492 480 N HA 0.110 4.852 4.740 0.003 0.000 0.262 480 N C -1.196 174.310 175.510 -0.006 0.000 1.202 480 N CA -0.347 52.703 53.050 -0.001 0.000 0.926 480 N CB 0.523 39.012 38.487 0.004 0.000 1.078 480 N HN 0.355 nan 8.380 nan 0.000 0.454 481 V N 2.660 122.568 119.914 -0.010 0.000 2.624 481 V HA 0.153 4.275 4.120 0.003 0.000 0.294 481 V C -0.597 175.487 176.094 -0.016 0.000 1.077 481 V CA -0.819 61.472 62.300 -0.015 0.000 0.905 481 V CB 1.441 33.248 31.823 -0.027 0.000 1.025 481 V HN 0.778 nan 8.190 nan 0.000 0.440 482 E N 2.552 122.746 120.200 -0.010 0.000 2.328 482 E HA -0.247 4.105 4.350 0.003 0.000 0.233 482 E C 1.175 177.769 176.600 -0.010 0.000 1.219 482 E CA 1.287 57.681 56.400 -0.009 0.000 0.717 482 E CB -1.361 28.330 29.700 -0.015 0.000 1.210 482 E HN 1.968 nan 8.360 nan 0.000 0.381 483 G N -0.940 107.855 108.800 -0.007 0.000 2.314 483 G HA2 -0.199 3.763 3.960 0.003 0.000 0.292 483 G HA3 -0.199 3.763 3.960 0.003 0.000 0.292 483 G C 0.217 175.111 174.900 -0.010 0.000 1.059 483 G CA 0.392 45.488 45.100 -0.007 0.000 0.982 483 G HN 0.996 nan 8.290 nan 0.000 0.505 484 V N -2.757 117.150 119.914 -0.012 0.000 2.674 484 V HA 0.501 4.623 4.120 0.003 0.000 0.279 484 V C 0.285 176.371 176.094 -0.012 0.000 1.051 484 V CA -1.520 60.771 62.300 -0.014 0.000 0.912 484 V CB 1.301 33.112 31.823 -0.020 0.000 1.044 484 V HN 0.290 nan 8.190 nan 0.000 0.464 485 L N 3.999 125.217 121.223 -0.007 0.000 2.894 485 L HA 0.065 4.407 4.340 0.003 0.000 0.286 485 L C 0.822 177.693 176.870 0.001 0.000 1.077 485 L CA 1.308 56.147 54.840 -0.001 0.000 1.070 485 L CB -0.742 41.317 42.059 0.000 0.000 1.470 485 L HN 0.623 nan 8.230 nan 0.000 0.452 486 K N 6.329 126.730 120.400 0.003 0.000 2.156 486 K HA 0.399 4.721 4.320 0.003 0.000 0.271 486 K C -2.159 174.464 176.600 0.037 0.000 0.995 486 K CA -1.793 54.499 56.287 0.009 0.000 0.890 486 K CB 1.102 33.594 32.500 -0.014 0.000 1.073 486 K HN 0.249 nan 8.250 nan 0.000 0.454 487 P HA -0.052 nan 4.420 nan 0.000 0.266 487 P C -0.724 176.643 177.300 0.111 0.000 1.193 487 P CA 0.323 63.514 63.100 0.151 0.000 0.770 487 P CB 0.696 32.576 31.700 0.300 0.000 0.836 488 L N 1.687 122.977 121.223 0.112 0.000 2.331 488 L HA 0.628 4.970 4.340 0.003 0.000 0.275 488 L C 0.921 177.769 176.870 -0.036 0.000 1.022 488 L CA -0.251 54.608 54.840 0.033 0.000 0.812 488 L CB 1.957 44.036 42.059 0.033 0.000 1.257 488 L HN 0.459 nan 8.230 nan 0.000 0.435 489 T N 0.834 115.342 114.554 -0.077 0.000 2.792 489 T HA 0.575 4.927 4.350 0.003 0.000 0.303 489 T C -0.870 173.789 174.700 -0.067 0.000 1.310 489 T CA -0.191 61.838 62.100 -0.119 0.000 1.007 489 T CB 1.546 70.276 68.868 -0.230 0.000 1.335 489 T HN 0.722 nan 8.240 nan 0.000 0.504 490 A N 2.932 125.725 122.820 -0.045 0.000 2.615 490 A HA 0.338 4.660 4.320 0.003 0.000 0.240 490 A C 0.447 178.011 177.584 -0.034 0.000 1.003 490 A CA 0.781 52.817 52.037 -0.003 0.000 0.778 490 A CB -0.459 18.558 19.000 0.029 0.000 0.907 490 A HN 0.787 nan 8.150 nan 0.000 0.507 491 D N 0.727 121.121 120.400 -0.010 0.000 2.569 491 D HA 0.401 5.043 4.640 0.003 0.000 0.266 491 D C -0.990 175.376 176.300 0.110 0.000 1.164 491 D CA -0.570 53.374 54.000 -0.093 0.000 1.071 491 D CB 0.198 40.929 40.800 -0.115 0.000 1.183 491 D HN 0.345 nan 8.370 nan 0.000 0.613 492 Y N 0.209 120.525 120.300 0.026 0.000 2.535 492 Y HA 0.265 4.817 4.550 0.003 0.000 0.349 492 Y C -0.310 175.639 175.900 0.082 0.000 0.992 492 Y CA -0.940 57.245 58.100 0.142 0.000 1.248 492 Y CB 0.103 38.731 38.460 0.280 0.000 1.124 492 Y HN 0.070 nan 8.280 nan 0.000 0.520 493 D N 4.273 124.853 120.400 0.299 0.000 2.380 493 D HA 0.237 4.879 4.640 0.003 0.000 0.230 493 D C 0.002 176.354 176.300 0.086 0.000 1.154 493 D CA -0.159 53.999 54.000 0.263 0.000 0.859 493 D CB 0.867 41.834 40.800 0.278 0.000 1.045 493 D HN 0.399 nan 8.370 nan 0.000 0.495 494 L N 2.463 123.644 121.223 -0.070 0.000 2.455 494 L HA 0.062 4.404 4.340 0.003 0.000 0.272 494 L C 1.353 178.187 176.870 -0.061 0.000 1.174 494 L CA -0.353 54.310 54.840 -0.295 0.000 0.869 494 L CB 0.451 42.297 42.059 -0.355 0.000 1.130 494 L HN 0.395 nan 8.230 nan 0.000 0.474 495 F N 3.270 123.117 119.950 -0.170 0.000 2.335 495 F HA 0.353 4.883 4.527 0.006 0.000 0.296 495 F C 0.815 176.561 175.800 -0.090 0.000 1.091 495 F CA 0.446 58.415 58.000 -0.052 0.000 1.399 495 F CB 0.333 39.351 39.000 0.030 0.000 1.067 495 F HN 0.497 nan 8.300 nan 0.000 0.520 496 A N -0.154 122.797 122.820 0.218 0.000 2.567 496 A HA 0.565 4.887 4.320 0.003 0.000 0.291 496 A C -2.004 175.598 177.584 0.029 0.000 1.048 496 A CA -0.708 51.365 52.037 0.059 0.000 0.661 496 A CB 0.386 19.545 19.000 0.264 0.000 1.288 496 A HN 0.101 nan 8.150 nan 0.000 0.424 497 L N 0.819 122.044 121.223 0.003 0.000 2.404 497 L HA 0.686 5.028 4.340 0.003 0.000 0.272 497 L C 0.130 177.205 176.870 0.341 0.000 0.980 497 L CA -0.600 54.361 54.840 0.203 0.000 0.836 497 L CB 2.001 44.212 42.059 0.252 0.000 1.238 497 L HN 0.994 nan 8.230 nan 0.000 0.408 498 A N 5.723 128.756 122.820 0.356 0.000 2.511 498 A HA 0.654 4.976 4.320 0.003 0.000 0.340 498 A C -2.540 175.258 177.584 0.357 0.000 1.396 498 A CA -1.392 50.864 52.037 0.365 0.000 0.887 498 A CB 0.031 19.259 19.000 0.381 0.000 1.145 498 A HN 0.292 nan 8.150 nan 0.000 0.497 499 P HA 0.185 nan 4.420 nan 0.000 0.281 499 P C 0.325 177.598 177.300 -0.045 0.000 1.249 499 P CA -0.025 63.019 63.100 -0.093 0.000 0.810 499 P CB 1.448 32.756 31.700 -0.654 0.000 1.008 500 S N 2.621 118.218 115.700 -0.172 0.000 2.568 500 S HA 0.013 4.485 4.470 0.003 0.000 0.282 500 S C 1.516 175.930 174.600 -0.311 0.000 1.338 500 S CA -0.421 57.462 58.200 -0.527 0.000 1.045 500 S CB -0.264 62.571 63.200 -0.608 0.000 0.873 500 S HN 0.474 nan 8.310 nan 0.000 0.516 501 L N 2.930 123.996 121.223 -0.261 0.000 2.079 501 L HA -0.132 4.210 4.340 0.003 0.000 0.210 501 L C 2.748 179.514 176.870 -0.172 0.000 1.081 501 L CA 2.025 56.773 54.840 -0.152 0.000 0.752 501 L CB -0.915 41.094 42.059 -0.084 0.000 0.896 501 L HN 1.062 nan 8.230 nan 0.000 0.433 502 T N -4.049 110.384 114.554 -0.203 0.000 3.007 502 T HA -0.192 4.160 4.350 0.003 0.000 0.270 502 T C 1.550 176.135 174.700 -0.191 0.000 1.107 502 T CA 1.141 63.129 62.100 -0.187 0.000 1.118 502 T CB -0.115 68.648 68.868 -0.174 0.000 0.889 502 T HN 0.248 nan 8.240 nan 0.000 0.506 503 E N 1.123 121.198 120.200 -0.208 0.000 2.076 503 E HA 0.064 4.416 4.350 0.003 0.000 0.190 503 E C 1.769 178.244 176.600 -0.209 0.000 0.979 503 E CA 0.398 56.681 56.400 -0.195 0.000 0.807 503 E CB -0.483 29.095 29.700 -0.205 0.000 0.761 503 E HN 0.428 nan 8.360 nan 0.000 0.454 504 I N 1.200 121.623 120.570 -0.245 0.000 2.248 504 I HA -0.260 3.912 4.170 0.003 0.000 0.248 504 I C 2.136 178.164 176.117 -0.149 0.000 1.107 504 I CA 1.172 62.346 61.300 -0.211 0.000 1.373 504 I CB -0.541 37.352 38.000 -0.178 0.000 1.055 504 I HN 0.054 nan 8.210 nan 0.000 0.418 505 K N 1.776 122.069 120.400 -0.179 0.000 2.044 505 K HA -0.193 4.129 4.320 0.003 0.000 0.210 505 K C 1.607 178.060 176.600 -0.245 0.000 1.049 505 K CA 1.743 57.882 56.287 -0.247 0.000 0.927 505 K CB -0.322 31.995 32.500 -0.306 0.000 0.713 505 K HN 0.200 nan 8.250 nan 0.000 0.443 506 K N 0.071 120.353 120.400 -0.197 0.000 2.632 506 K HA -0.055 4.267 4.320 0.003 0.000 0.196 506 K C 1.272 177.792 176.600 -0.133 0.000 1.023 506 K CA 0.417 56.608 56.287 -0.159 0.000 1.098 506 K CB 0.123 32.548 32.500 -0.125 0.000 0.862 506 K HN 0.206 nan 8.250 nan 0.000 0.504 507 Q N 0.274 119.985 119.800 -0.150 0.000 2.353 507 Q HA 0.212 4.554 4.340 0.003 0.000 0.240 507 Q C -0.059 175.760 176.000 -0.300 0.000 0.868 507 Q CA 0.140 55.876 55.803 -0.113 0.000 0.944 507 Q CB 0.733 29.459 28.738 -0.021 0.000 1.104 507 Q HN 0.192 nan 8.270 nan 0.000 0.531 508 I N 3.450 123.791 120.570 -0.382 0.000 2.472 508 I HA 0.266 4.438 4.170 0.003 0.000 0.290 508 I C -1.989 173.889 176.117 -0.399 0.000 1.016 508 I CA -2.213 58.692 61.300 -0.658 0.000 1.348 508 I CB 1.266 39.093 38.000 -0.288 0.000 1.417 508 I HN 0.093 nan 8.210 nan 0.000 0.521 509 P HA 0.105 nan 4.420 nan 0.000 0.284 509 P C 0.118 177.397 177.300 -0.035 0.000 1.343 509 P CA -0.391 62.621 63.100 -0.147 0.000 0.826 509 P CB 1.331 32.975 31.700 -0.093 0.000 0.956 510 Q N 3.443 123.232 119.800 -0.018 0.000 2.208 510 Q HA -0.262 4.080 4.340 0.003 0.000 0.219 510 Q C 1.808 177.866 176.000 0.096 0.000 1.027 510 Q CA 2.740 58.571 55.803 0.048 0.000 0.925 510 Q CB -0.463 28.287 28.738 0.019 0.000 1.006 510 Q HN 0.670 nan 8.270 nan 0.000 0.415 511 K N -0.056 120.381 120.400 0.062 0.000 2.152 511 K HA -0.156 4.166 4.320 0.003 0.000 0.206 511 K C 1.704 178.353 176.600 0.081 0.000 1.048 511 K CA 1.663 57.989 56.287 0.065 0.000 0.933 511 K CB -0.164 32.364 32.500 0.047 0.000 0.721 511 K HN 0.280 nan 8.250 nan 0.000 0.447 512 E N 0.391 120.652 120.200 0.102 0.000 2.021 512 E HA -0.155 4.197 4.350 0.003 0.000 0.189 512 E C 1.825 178.502 176.600 0.129 0.000 0.980 512 E CA 0.979 57.450 56.400 0.119 0.000 0.803 512 E CB -0.337 29.468 29.700 0.175 0.000 0.766 512 E HN 0.424 nan 8.360 nan 0.000 0.449 513 W N 2.522 123.828 121.300 0.011 0.000 2.387 513 W HA -0.210 4.452 4.660 0.002 0.000 0.272 513 W C 1.713 178.236 176.519 0.007 0.000 1.224 513 W CA 1.708 59.059 57.345 0.010 0.000 1.210 513 W CB 0.064 29.513 29.460 -0.017 0.000 1.125 513 W HN 0.095 nan 8.180 nan 0.000 0.572 514 D N -0.079 120.442 120.400 0.202 0.000 2.084 514 D HA -0.204 4.438 4.640 0.003 0.000 0.199 514 D C 1.982 178.273 176.300 -0.015 0.000 0.981 514 D CA 1.464 55.534 54.000 0.116 0.000 0.841 514 D CB -0.486 40.384 40.800 0.116 0.000 0.997 514 D HN -0.022 nan 8.370 nan 0.000 0.454 515 K N 0.278 120.679 120.400 0.001 0.000 2.589 515 K HA -0.086 4.236 4.320 0.003 0.000 0.195 515 K C 1.241 177.796 176.600 -0.074 0.000 1.042 515 K CA 0.521 56.794 56.287 -0.023 0.000 0.940 515 K CB 0.159 32.661 32.500 0.003 0.000 0.776 515 K HN 0.079 nan 8.250 nan 0.000 0.487 516 V N 0.144 119.968 119.914 -0.151 0.000 2.627 516 V HA -0.134 3.988 4.120 0.003 0.000 0.239 516 V C 2.183 178.107 176.094 -0.282 0.000 1.077 516 V CA 1.091 63.258 62.300 -0.223 0.000 1.103 516 V CB 0.372 32.010 31.823 -0.309 0.000 0.802 516 V HN 0.306 nan 8.190 nan 0.000 0.482 517 V N -0.692 118.969 119.914 -0.422 0.000 2.626 517 V HA -0.097 4.025 4.120 0.003 0.000 0.252 517 V C 1.162 177.150 176.094 -0.176 0.000 1.067 517 V CA 1.827 63.907 62.300 -0.366 0.000 1.081 517 V CB -1.419 30.117 31.823 -0.478 0.000 0.686 517 V HN 0.671 nan 8.190 nan 0.000 0.468 518 N N 1.547 120.171 118.700 -0.126 0.000 2.906 518 N HA 0.096 4.838 4.740 0.003 0.000 0.282 518 N C 0.127 175.598 175.510 -0.064 0.000 1.293 518 N CA 0.303 53.313 53.050 -0.066 0.000 1.059 518 N CB -0.006 38.457 38.487 -0.039 0.000 1.388 518 N HN 0.570 nan 8.380 nan 0.000 0.533 519 T N 0.177 114.685 114.554 -0.078 0.000 2.885 519 T HA 0.312 4.664 4.350 0.003 0.000 0.285 519 T C -1.383 173.288 174.700 -0.049 0.000 1.019 519 T CA -2.084 59.978 62.100 -0.064 0.000 1.010 519 T CB 1.686 70.506 68.868 -0.080 0.000 1.022 519 T HN 0.045 nan 8.240 nan 0.000 0.466 520 P HA 0.044 nan 4.420 nan 0.000 0.216 520 P C 0.144 177.426 177.300 -0.030 0.000 1.156 520 P CA 0.321 63.404 63.100 -0.027 0.000 0.855 520 P CB 0.126 31.814 31.700 -0.020 0.000 0.786 521 N N 1.227 119.906 118.700 -0.036 0.000 2.406 521 N HA 0.036 4.778 4.740 0.003 0.000 0.274 521 N C 1.100 176.582 175.510 -0.045 0.000 1.249 521 N CA 0.225 53.251 53.050 -0.040 0.000 0.951 521 N CB 0.696 39.157 38.487 -0.043 0.000 1.241 521 N HN 0.093 nan 8.380 nan 0.000 0.485 522 S N 2.089 117.766 115.700 -0.039 0.000 2.359 522 S HA -0.184 4.288 4.470 0.003 0.000 0.224 522 S C 1.800 176.376 174.600 -0.039 0.000 1.035 522 S CA 0.742 58.921 58.200 -0.035 0.000 1.018 522 S CB -0.011 63.176 63.200 -0.023 0.000 0.876 522 S HN 0.510 nan 8.310 nan 0.000 0.448 523 L N 1.763 122.959 121.223 -0.045 0.000 2.291 523 L HA 0.084 4.426 4.340 0.003 0.000 0.214 523 L C 2.146 178.988 176.870 -0.046 0.000 1.120 523 L CA 1.528 56.340 54.840 -0.046 0.000 0.799 523 L CB -0.558 41.462 42.059 -0.066 0.000 0.925 523 L HN 0.382 nan 8.230 nan 0.000 0.446 524 E N -0.704 119.466 120.200 -0.051 0.000 2.122 524 E HA -0.214 4.138 4.350 0.003 0.000 0.190 524 E C 2.211 178.775 176.600 -0.061 0.000 0.977 524 E CA 0.670 57.040 56.400 -0.051 0.000 0.820 524 E CB -0.120 29.550 29.700 -0.050 0.000 0.770 524 E HN 0.434 nan 8.360 nan 0.000 0.462 525 K N 0.719 121.077 120.400 -0.069 0.000 2.020 525 K HA -0.328 3.994 4.320 0.003 0.000 0.212 525 K C 2.353 178.902 176.600 -0.084 0.000 1.050 525 K CA 2.116 58.346 56.287 -0.095 0.000 0.929 525 K CB -0.194 32.253 32.500 -0.089 0.000 0.714 525 K HN 0.190 nan 8.250 nan 0.000 0.443 526 Q N 0.744 120.514 119.800 -0.049 0.000 2.029 526 Q HA -0.256 4.086 4.340 0.003 0.000 0.209 526 Q C 1.959 177.946 176.000 -0.023 0.000 0.999 526 Q CA 2.210 57.999 55.803 -0.024 0.000 0.857 526 Q CB -0.009 28.724 28.738 -0.008 0.000 0.926 526 Q HN 0.252 nan 8.270 nan 0.000 0.415 527 K N -0.694 119.690 120.400 -0.027 0.000 1.971 527 K HA -0.194 4.128 4.320 0.003 0.000 0.221 527 K C 2.067 178.649 176.600 -0.030 0.000 1.050 527 K CA 1.368 57.642 56.287 -0.021 0.000 0.967 527 K CB -0.869 31.616 32.500 -0.026 0.000 0.733 527 K HN 0.477 nan 8.250 nan 0.000 0.445 528 G N 0.892 109.660 108.800 -0.053 0.000 2.728 528 G HA2 -0.337 3.624 3.960 0.003 0.000 0.224 528 G HA3 -0.337 3.624 3.960 0.003 0.000 0.224 528 G C 1.497 176.352 174.900 -0.075 0.000 1.123 528 G CA 1.732 46.788 45.100 -0.073 0.000 0.755 528 G HN 0.195 nan 8.290 nan 0.000 0.622 529 V N 0.422 120.286 119.914 -0.083 0.000 2.239 529 V HA -0.153 3.969 4.120 0.003 0.000 0.242 529 V C 3.083 179.216 176.094 0.066 0.000 1.038 529 V CA 2.456 64.737 62.300 -0.031 0.000 1.002 529 V CB -1.162 30.655 31.823 -0.010 0.000 0.641 529 V HN 0.442 nan 8.190 nan 0.000 0.449 530 T N 0.786 115.371 114.554 0.052 0.000 2.649 530 T HA -0.278 4.074 4.350 0.003 0.000 0.268 530 T C 1.803 176.540 174.700 0.062 0.000 1.036 530 T CA 2.038 64.176 62.100 0.064 0.000 1.157 530 T CB -0.506 68.387 68.868 0.042 0.000 0.861 530 T HN 0.399 nan 8.240 nan 0.000 0.445 531 N N 0.977 119.699 118.700 0.038 0.000 2.104 531 N HA -0.005 4.737 4.740 0.003 0.000 0.190 531 N C 1.934 177.476 175.510 0.054 0.000 1.024 531 N CA 0.882 53.947 53.050 0.025 0.000 0.853 531 N CB -0.567 37.922 38.487 0.003 0.000 1.008 531 N HN 0.349 nan 8.380 nan 0.000 0.424 532 L N 0.993 122.283 121.223 0.111 0.000 1.970 532 L HA -0.151 4.191 4.340 0.003 0.000 0.212 532 L C 2.438 179.464 176.870 0.260 0.000 1.071 532 L CA 0.910 55.896 54.840 0.242 0.000 0.751 532 L CB -0.500 41.753 42.059 0.323 0.000 0.889 532 L HN 0.233 nan 8.230 nan 0.000 0.432 533 L N 0.032 121.385 121.223 0.216 0.000 2.079 533 L HA -0.264 4.078 4.340 0.003 0.000 0.210 533 L C 2.411 179.367 176.870 0.143 0.000 1.081 533 L CA 1.926 56.876 54.840 0.183 0.000 0.752 533 L CB -0.400 41.751 42.059 0.154 0.000 0.896 533 L HN 0.269 nan 8.230 nan 0.000 0.433 534 I N 0.071 120.701 120.570 0.100 0.000 2.110 534 I HA -0.344 3.828 4.170 0.003 0.000 0.236 534 I C 2.634 178.774 176.117 0.037 0.000 1.068 534 I CA 1.470 62.806 61.300 0.059 0.000 1.333 534 I CB -0.386 37.627 38.000 0.021 0.000 1.054 534 I HN 0.276 nan 8.210 nan 0.000 0.402 535 K N 0.912 121.300 120.400 -0.021 0.000 1.975 535 K HA -0.269 4.053 4.320 0.003 0.000 0.225 535 K C 2.040 178.567 176.600 -0.121 0.000 1.050 535 K CA 2.229 58.426 56.287 -0.150 0.000 0.992 535 K CB -0.527 31.776 32.500 -0.328 0.000 0.738 535 K HN 0.160 nan 8.250 nan 0.000 0.446 536 Y N -0.554 119.808 120.300 0.103 0.000 2.688 536 Y HA 0.028 4.581 4.550 0.004 0.000 0.311 536 Y C 1.729 177.727 175.900 0.163 0.000 1.185 536 Y CA 0.855 59.030 58.100 0.125 0.000 1.336 536 Y CB 0.229 38.750 38.460 0.101 0.000 1.015 536 Y HN 0.456 nan 8.280 nan 0.000 0.522 537 G N -2.071 106.892 108.800 0.271 0.000 2.293 537 G HA2 0.075 4.037 3.960 0.003 0.000 0.180 537 G HA3 0.075 4.037 3.960 0.003 0.000 0.180 537 G C 1.096 176.220 174.900 0.373 0.000 1.517 537 G CA 0.027 45.303 45.100 0.293 0.000 0.645 537 G HN 0.287 nan 8.290 nan 0.000 1.119 538 I N 0.764 121.469 120.570 0.225 0.000 3.081 538 I HA 0.200 4.371 4.170 0.003 0.000 0.274 538 I C 1.039 177.156 176.117 0.001 0.000 1.178 538 I CA 0.043 61.438 61.300 0.157 0.000 1.460 538 I CB 0.410 38.454 38.000 0.073 0.000 1.137 538 I HN 0.093 nan 8.210 nan 0.000 0.443 539 E N 2.838 123.042 120.200 0.006 0.000 2.414 539 E HA 0.100 4.452 4.350 0.003 0.000 0.263 539 E C -0.404 176.147 176.600 -0.082 0.000 1.000 539 E CA 0.059 56.417 56.400 -0.069 0.000 0.914 539 E CB 0.574 30.237 29.700 -0.062 0.000 0.948 539 E HN 0.177 nan 8.360 nan 0.000 0.444 540 R N 3.391 123.804 120.500 -0.145 0.000 2.513 540 R HA 0.357 4.699 4.340 0.003 0.000 0.301 540 R C -0.686 175.540 176.300 -0.124 0.000 0.968 540 R CA -0.913 55.099 56.100 -0.146 0.000 0.872 540 R CB 1.489 31.671 30.300 -0.197 0.000 1.177 540 R HN 0.315 nan 8.270 nan 0.000 0.444 541 K N 2.823 123.163 120.400 -0.100 0.000 2.123 541 K HA 0.492 4.814 4.320 0.003 0.000 0.248 541 K C -2.450 174.104 176.600 -0.077 0.000 0.969 541 K CA -2.102 54.136 56.287 -0.081 0.000 0.882 541 K CB 1.562 34.025 32.500 -0.063 0.000 1.080 541 K HN 0.368 nan 8.250 nan 0.000 0.441 542 P HA 0.236 nan 4.420 nan 0.000 0.292 542 P C -1.008 176.268 177.300 -0.039 0.000 1.283 542 P CA -0.256 62.811 63.100 -0.054 0.000 0.835 542 P CB 1.244 32.915 31.700 -0.049 0.000 1.017 543 D N 0.851 121.231 120.400 -0.032 0.000 2.481 543 D HA 0.121 4.763 4.640 0.003 0.000 0.244 543 D C 1.320 177.616 176.300 -0.007 0.000 1.057 543 D CA -0.392 53.595 54.000 -0.021 0.000 0.848 543 D CB 2.158 42.943 40.800 -0.025 0.000 1.388 543 D HN 0.259 nan 8.370 nan 0.000 0.475 544 S N 1.369 117.069 115.700 0.000 0.000 2.419 544 S HA -0.185 4.287 4.470 0.003 0.000 0.235 544 S C 1.562 176.170 174.600 0.014 0.000 1.019 544 S CA 2.031 60.239 58.200 0.013 0.000 0.982 544 S CB -0.369 62.840 63.200 0.016 0.000 0.789 544 S HN 0.636 nan 8.310 nan 0.000 0.490 545 T N 0.036 114.591 114.554 0.002 0.000 3.082 545 T HA 0.250 4.602 4.350 0.003 0.000 0.235 545 T C 1.149 175.846 174.700 -0.006 0.000 0.991 545 T CA -0.056 62.041 62.100 -0.005 0.000 1.220 545 T CB -0.485 68.378 68.868 -0.009 0.000 0.909 545 T HN 0.328 nan 8.240 nan 0.000 0.424 546 K N 2.347 122.742 120.400 -0.008 0.000 2.911 546 K HA 0.477 4.799 4.320 0.003 0.000 0.239 546 K C 1.204 177.820 176.600 0.027 0.000 1.090 546 K CA 0.035 56.324 56.287 0.002 0.000 1.225 546 K CB -0.310 32.175 32.500 -0.024 0.000 1.087 546 K HN 0.638 nan 8.250 nan 0.000 0.464 547 G N 1.068 109.885 108.800 0.028 0.000 2.564 547 G HA2 -0.300 3.662 3.960 0.003 0.000 0.273 547 G HA3 -0.300 3.662 3.960 0.003 0.000 0.273 547 G C -0.339 174.546 174.900 -0.025 0.000 1.242 547 G CA -0.201 44.906 45.100 0.012 0.000 0.951 547 G HN 0.280 nan 8.290 nan 0.000 0.564 548 T N 1.495 116.018 114.554 -0.052 0.000 2.771 548 T HA 0.660 5.012 4.350 0.003 0.000 0.281 548 T C 0.281 174.923 174.700 -0.097 0.000 0.982 548 T CA 0.415 62.468 62.100 -0.077 0.000 0.978 548 T CB 1.076 69.887 68.868 -0.095 0.000 0.930 548 T HN 1.577 nan 8.240 nan 0.000 0.447 549 L N -0.512 120.644 121.223 -0.112 0.000 2.892 549 L HA 0.841 5.183 4.340 0.003 0.000 0.269 549 L C -0.579 176.181 176.870 -0.183 0.000 1.058 549 L CA -1.175 53.571 54.840 -0.155 0.000 0.923 549 L CB 1.592 43.547 42.059 -0.173 0.000 1.518 549 L HN 0.502 nan 8.230 nan 0.000 0.402 550 S N -0.326 115.202 115.700 -0.287 0.000 2.632 550 S HA 0.343 4.815 4.470 0.003 0.000 0.267 550 S C 0.626 175.056 174.600 -0.283 0.000 1.276 550 S CA -0.028 57.987 58.200 -0.308 0.000 0.998 550 S CB 0.839 63.713 63.200 -0.543 0.000 0.953 550 S HN 0.861 nan 8.310 nan 0.000 0.547 551 N N 1.120 119.750 118.700 -0.116 0.000 2.106 551 N HA -0.066 4.676 4.740 0.003 0.000 0.188 551 N C 1.784 177.301 175.510 0.013 0.000 1.029 551 N CA 1.549 54.589 53.050 -0.017 0.000 0.848 551 N CB -0.203 38.334 38.487 0.084 0.000 1.007 551 N HN 0.868 nan 8.380 nan 0.000 0.423 552 W N 1.667 123.002 121.300 0.057 0.000 2.381 552 W HA -0.093 4.571 4.660 0.006 0.000 0.301 552 W C 1.369 177.910 176.519 0.037 0.000 1.205 552 W CA 0.483 57.859 57.345 0.052 0.000 1.285 552 W CB -0.905 28.593 29.460 0.064 0.000 1.133 552 W HN 0.087 nan 8.180 nan 0.000 0.521 553 Q N 1.294 120.405 119.800 -1.147 0.000 2.173 553 Q HA -0.272 4.070 4.340 0.003 0.000 0.208 553 Q C 2.289 178.061 176.000 -0.380 0.000 0.989 553 Q CA 2.592 57.748 55.803 -1.078 0.000 0.872 553 Q CB -0.412 27.698 28.738 -1.047 0.000 0.909 553 Q HN 0.457 nan 8.270 nan 0.000 0.420 554 K N 1.036 121.289 120.400 -0.245 0.000 1.984 554 K HA -0.233 4.089 4.320 0.003 0.000 0.209 554 K C 2.273 178.851 176.600 -0.037 0.000 1.046 554 K CA 1.577 57.797 56.287 -0.113 0.000 0.934 554 K CB -0.104 32.352 32.500 -0.073 0.000 0.717 554 K HN 0.242 nan 8.250 nan 0.000 0.438 555 Q N 0.511 120.324 119.800 0.021 0.000 2.096 555 Q HA -0.284 4.058 4.340 0.003 0.000 0.208 555 Q C 2.112 178.157 176.000 0.074 0.000 0.993 555 Q CA 2.254 58.097 55.803 0.067 0.000 0.862 555 Q CB -0.498 28.312 28.738 0.120 0.000 0.915 555 Q HN 0.361 nan 8.270 nan 0.000 0.416 556 M N 0.430 120.094 119.600 0.106 0.000 2.108 556 M HA -0.115 4.367 4.480 0.003 0.000 0.261 556 M C 1.801 178.121 176.300 0.034 0.000 1.066 556 M CA 1.400 56.768 55.300 0.113 0.000 1.107 556 M CB -0.359 32.352 32.600 0.185 0.000 1.356 556 M HN 0.349 nan 8.290 nan 0.000 0.406 557 L N 0.492 121.703 121.223 -0.021 0.000 2.012 557 L HA -0.252 4.090 4.340 0.003 0.000 0.210 557 L C 1.816 178.680 176.870 -0.010 0.000 1.073 557 L CA 2.144 56.959 54.840 -0.041 0.000 0.748 557 L CB -0.990 41.026 42.059 -0.072 0.000 0.891 557 L HN 0.340 nan 8.230 nan 0.000 0.431 558 D N -1.235 119.165 120.400 -0.001 0.000 2.097 558 D HA -0.136 4.506 4.640 0.003 0.000 0.195 558 D C 2.266 178.569 176.300 0.005 0.000 0.989 558 D CA 0.857 54.859 54.000 0.002 0.000 0.827 558 D CB -0.151 40.654 40.800 0.009 0.000 0.966 558 D HN 0.071 nan 8.370 nan 0.000 0.456 559 R N 0.292 120.806 120.500 0.024 0.000 2.193 559 R HA -0.030 4.312 4.340 0.003 0.000 0.229 559 R C 2.125 178.461 176.300 0.061 0.000 1.110 559 R CA 0.178 56.294 56.100 0.026 0.000 0.988 559 R CB -0.596 29.737 30.300 0.056 0.000 0.871 559 R HN 0.305 nan 8.270 nan 0.000 0.458 560 L N 0.915 122.189 121.223 0.086 0.000 2.056 560 L HA -0.159 4.182 4.340 0.003 0.000 0.207 560 L C 1.753 178.775 176.870 0.254 0.000 1.078 560 L CA 1.551 56.502 54.840 0.186 0.000 0.749 560 L CB -0.693 41.398 42.059 0.054 0.000 0.901 560 L HN 0.223 nan 8.230 nan 0.000 0.433 561 N N 0.228 118.985 118.700 0.096 0.000 2.132 561 N HA -0.199 4.543 4.740 0.003 0.000 0.187 561 N C 1.614 177.088 175.510 -0.060 0.000 1.038 561 N CA 1.207 54.272 53.050 0.025 0.000 0.846 561 N CB -0.237 38.248 38.487 -0.004 0.000 1.012 561 N HN 0.425 nan 8.380 nan 0.000 0.429 562 E N 1.140 121.259 120.200 -0.135 0.000 2.393 562 E HA -0.120 4.232 4.350 0.003 0.000 0.201 562 E C 1.492 177.752 176.600 -0.567 0.000 1.025 562 E CA 0.969 57.127 56.400 -0.403 0.000 0.856 562 E CB 0.057 29.510 29.700 -0.412 0.000 0.771 562 E HN 0.303 nan 8.360 nan 0.000 0.526 563 A N 1.062 123.753 122.820 -0.214 0.000 1.878 563 A HA -0.001 4.321 4.320 0.003 0.000 0.213 563 A C 2.120 179.666 177.584 -0.064 0.000 1.192 563 A CA 0.905 52.879 52.037 -0.105 0.000 0.619 563 A CB -0.312 18.732 19.000 0.074 0.000 0.837 563 A HN 0.382 nan 8.150 nan 0.000 0.446 564 V N -2.759 117.117 119.914 -0.064 0.000 3.416 564 V HA 0.342 4.464 4.120 0.003 0.000 0.334 564 V C 0.907 177.023 176.094 0.037 0.000 1.271 564 V CA 1.117 63.369 62.300 -0.081 0.000 1.274 564 V CB -0.604 30.985 31.823 -0.389 0.000 1.153 564 V HN 0.479 nan 8.190 nan 0.000 0.433 565 K N -0.608 119.826 120.400 0.056 0.000 2.443 565 K HA 0.321 4.643 4.320 0.003 0.000 0.200 565 K C 0.951 177.741 176.600 0.317 0.000 1.278 565 K CA -0.130 56.265 56.287 0.180 0.000 0.925 565 K CB 0.415 32.988 32.500 0.122 0.000 1.225 565 K HN 0.569 nan 8.250 nan 0.000 0.514 566 Y N 0.595 120.939 120.300 0.074 0.000 2.581 566 Y HA -0.008 4.544 4.550 0.004 0.000 0.346 566 Y C 1.525 177.456 175.900 0.052 0.000 1.147 566 Y CA -0.277 57.856 58.100 0.055 0.000 1.353 566 Y CB 0.499 38.988 38.460 0.050 0.000 1.187 566 Y HN 0.138 nan 8.280 nan 0.000 0.505 567 T N -1.677 113.004 114.554 0.211 0.000 3.221 567 T HA 0.313 4.665 4.350 0.003 0.000 0.250 567 T C 1.296 176.066 174.700 0.116 0.000 0.988 567 T CA 0.911 63.092 62.100 0.136 0.000 1.163 567 T CB 0.494 69.434 68.868 0.121 0.000 1.098 567 T HN 0.370 nan 8.240 nan 0.000 0.422 568 G N 0.248 109.140 108.800 0.153 0.000 4.553 568 G HA2 0.104 4.066 3.960 0.003 0.000 0.222 568 G HA3 0.104 4.066 3.960 0.003 0.000 0.222 568 G C -0.787 174.206 174.900 0.155 0.000 0.795 568 G CA -0.459 44.711 45.100 0.116 0.000 1.181 568 G HN 0.443 nan 8.290 nan 0.000 0.766 569 Y N 2.402 122.751 120.300 0.082 0.000 2.313 569 Y HA 0.529 5.080 4.550 0.003 0.000 0.332 569 Y C 1.006 176.926 175.900 0.033 0.000 1.071 569 Y CA 0.339 58.478 58.100 0.065 0.000 1.169 569 Y CB 1.902 40.391 38.460 0.048 0.000 1.192 569 Y HN 0.158 nan 8.280 nan 0.000 0.487 570 T N 0.874 115.095 114.554 -0.554 0.000 3.533 570 T HA 0.346 4.698 4.350 0.003 0.000 0.275 570 T C 0.568 174.955 174.700 -0.521 0.000 1.000 570 T CA 0.065 61.942 62.100 -0.372 0.000 1.015 570 T CB -0.363 68.378 68.868 -0.212 0.000 1.153 570 T HN 0.755 nan 8.240 nan 0.000 0.504 571 G N -0.745 107.481 108.800 -0.956 0.000 3.528 571 G HA2 0.585 4.546 3.960 0.003 0.000 0.266 571 G HA3 0.585 4.546 3.960 0.003 0.000 0.266 571 G C 0.863 175.688 174.900 -0.126 0.000 1.004 571 G CA -0.051 44.699 45.100 -0.585 0.000 0.853 571 G HN 1.115 nan 8.290 nan 0.000 0.501 572 G N 0.516 109.305 108.800 -0.018 0.000 3.035 572 G HA2 -0.188 3.774 3.960 0.003 0.000 0.242 572 G HA3 -0.188 3.774 3.960 0.003 0.000 0.242 572 G C -0.790 174.241 174.900 0.219 0.000 1.524 572 G CA 0.013 45.181 45.100 0.113 0.000 1.038 572 G HN 0.442 nan 8.290 nan 0.000 0.561 573 D N -0.850 119.628 120.400 0.130 0.000 2.340 573 D HA 0.626 5.268 4.640 0.003 0.000 0.240 573 D C 0.584 176.815 176.300 -0.114 0.000 1.001 573 D CA 0.085 54.090 54.000 0.008 0.000 0.888 573 D CB 2.737 43.518 40.800 -0.031 0.000 1.310 573 D HN 0.586 nan 8.370 nan 0.000 0.474 574 V N 1.452 121.200 119.914 -0.277 0.000 3.604 574 V HA 0.220 4.342 4.120 0.003 0.000 0.277 574 V C -0.622 175.296 176.094 -0.293 0.000 1.399 574 V CA 0.423 62.423 62.300 -0.500 0.000 1.034 574 V CB 0.738 31.991 31.823 -0.950 0.000 0.824 574 V HN 0.324 nan 8.190 nan 0.000 0.439 575 V N 1.719 121.563 119.914 -0.118 0.000 2.325 575 V HA 0.374 4.496 4.120 0.003 0.000 0.280 575 V C 0.496 176.491 176.094 -0.165 0.000 1.016 575 V CA -0.144 62.118 62.300 -0.063 0.000 0.818 575 V CB 1.074 32.912 31.823 0.024 0.000 1.019 575 V HN 0.471 nan 8.190 nan 0.000 0.434 576 N N 2.439 120.946 118.700 -0.323 0.000 2.349 576 N HA 0.073 4.815 4.740 0.003 0.000 0.180 576 N C 0.258 175.582 175.510 -0.309 0.000 1.024 576 N CA 0.427 53.269 53.050 -0.346 0.000 0.869 576 N CB 0.248 38.499 38.487 -0.394 0.000 1.022 576 N HN 0.835 nan 8.380 nan 0.000 0.433 577 H N -1.030 118.011 119.070 -0.049 0.000 2.960 577 H HA 0.641 5.199 4.556 0.003 0.000 0.302 577 H C 0.483 175.755 175.328 -0.093 0.000 1.515 577 H CA -1.118 54.892 56.048 -0.064 0.000 1.431 577 H CB -0.303 29.430 29.762 -0.050 0.000 1.890 577 H HN -0.036 nan 8.280 nan 0.000 0.762 578 G N -0.740 108.125 108.800 0.108 0.000 2.653 578 G HA2 0.362 4.324 3.960 0.003 0.000 0.265 578 G HA3 0.362 4.324 3.960 0.003 0.000 0.265 578 G C -0.238 174.637 174.900 -0.040 0.000 1.237 578 G CA -0.200 44.881 45.100 -0.031 0.000 0.946 578 G HN 0.939 nan 8.290 nan 0.000 0.522 579 T N -1.933 112.548 114.554 -0.121 0.000 2.814 579 T HA 0.187 4.538 4.350 0.003 0.000 0.297 579 T C 1.159 175.745 174.700 -0.189 0.000 0.956 579 T CA 0.209 62.218 62.100 -0.151 0.000 1.123 579 T CB 1.485 70.233 68.868 -0.200 0.000 0.902 579 T HN 0.647 nan 8.240 nan 0.000 0.528 580 E N 1.910 121.991 120.200 -0.198 0.000 2.433 580 E HA -0.305 4.047 4.350 0.003 0.000 0.209 580 E C 1.623 178.025 176.600 -0.330 0.000 1.065 580 E CA 1.525 57.776 56.400 -0.247 0.000 0.863 580 E CB -0.397 29.169 29.700 -0.223 0.000 0.772 580 E HN 0.671 nan 8.360 nan 0.000 0.524 581 Q N -0.017 119.575 119.800 -0.347 0.000 2.488 581 Q HA -0.052 4.289 4.340 0.003 0.000 0.211 581 Q C 0.650 176.523 176.000 -0.212 0.000 0.967 581 Q CA 1.047 56.654 55.803 -0.326 0.000 0.926 581 Q CB 0.220 28.762 28.738 -0.325 0.000 0.992 581 Q HN 0.512 nan 8.270 nan 0.000 0.506 582 D N -0.640 119.648 120.400 -0.187 0.000 2.433 582 D HA -0.012 4.630 4.640 0.003 0.000 0.211 582 D C 0.188 176.366 176.300 -0.202 0.000 1.114 582 D CA -0.087 53.805 54.000 -0.180 0.000 0.837 582 D CB 0.170 40.889 40.800 -0.135 0.000 0.984 582 D HN 0.227 nan 8.370 nan 0.000 0.505 583 N N 2.058 120.626 118.700 -0.221 0.000 3.167 583 N HA -0.052 4.690 4.740 0.003 0.000 0.318 583 N C 0.788 176.165 175.510 -0.221 0.000 1.268 583 N CA 0.105 53.042 53.050 -0.188 0.000 1.197 583 N CB 0.232 38.613 38.487 -0.176 0.000 1.464 583 N HN 0.237 nan 8.380 nan 0.000 0.555 584 E N 0.142 120.201 120.200 -0.234 0.000 2.110 584 E HA -0.173 4.179 4.350 0.003 0.000 0.193 584 E C 1.292 177.732 176.600 -0.267 0.000 0.988 584 E CA 0.882 57.124 56.400 -0.264 0.000 0.804 584 E CB 0.277 29.833 29.700 -0.240 0.000 0.745 584 E HN 0.514 nan 8.360 nan 0.000 0.458 585 E N 0.150 120.198 120.200 -0.253 0.000 2.001 585 E HA -0.107 4.245 4.350 0.003 0.000 0.193 585 E C 0.566 176.768 176.600 -0.664 0.000 0.994 585 E CA 1.000 57.142 56.400 -0.428 0.000 0.815 585 E CB -0.103 29.433 29.700 -0.273 0.000 0.770 585 E HN 0.217 nan 8.360 nan 0.000 0.453 586 F N 1.813 121.687 119.950 -0.128 0.000 2.664 586 F HA 0.262 4.783 4.527 -0.011 0.000 0.322 586 F C -2.131 173.600 175.800 -0.115 0.000 1.324 586 F CA -2.407 55.526 58.000 -0.112 0.000 1.154 586 F CB 0.614 39.548 39.000 -0.110 0.000 1.236 586 F HN -0.124 nan 8.300 nan 0.000 0.532 587 P HA 0.041 nan 4.420 nan 0.000 0.268 587 P C -0.266 177.022 177.300 -0.019 0.000 1.205 587 P CA 0.292 63.346 63.100 -0.077 0.000 0.771 587 P CB 1.468 33.064 31.700 -0.173 0.000 0.858 588 E N 1.834 122.035 120.200 0.001 0.000 2.299 588 E HA 0.392 4.744 4.350 0.003 0.000 0.260 588 E C -0.515 176.079 176.600 -0.011 0.000 0.944 588 E CA -1.012 55.395 56.400 0.011 0.000 0.815 588 E CB 1.973 31.701 29.700 0.046 0.000 1.252 588 E HN 0.396 nan 8.360 nan 0.000 0.418 589 K N 1.774 122.137 120.400 -0.061 0.000 2.572 589 K HA 0.199 4.521 4.320 0.003 0.000 0.244 589 K C -1.327 175.315 176.600 0.070 0.000 0.965 589 K CA -0.352 55.824 56.287 -0.186 0.000 0.943 589 K CB 0.671 32.894 32.500 -0.462 0.000 1.154 589 K HN 0.322 nan 8.250 nan 0.000 0.447 590 D N 3.004 123.594 120.400 0.317 0.000 2.168 590 D HA 0.128 4.770 4.640 0.003 0.000 0.246 590 D C 0.434 176.965 176.300 0.386 0.000 1.050 590 D CA -0.414 53.771 54.000 0.308 0.000 0.857 590 D CB 1.602 42.586 40.800 0.306 0.000 1.169 590 D HN 0.529 nan 8.370 nan 0.000 0.453 591 N N 1.514 120.365 118.700 0.253 0.000 2.081 591 N HA -0.105 4.637 4.740 0.003 0.000 0.191 591 N C 0.043 175.648 175.510 0.157 0.000 1.053 591 N CA 0.864 54.051 53.050 0.228 0.000 0.846 591 N CB 0.021 38.597 38.487 0.148 0.000 1.032 591 N HN 0.508 nan 8.380 nan 0.000 0.431 592 E N 1.067 121.335 120.200 0.114 0.000 2.220 592 E HA 0.152 4.504 4.350 0.003 0.000 0.272 592 E C -0.426 176.213 176.600 0.065 0.000 1.099 592 E CA 0.105 56.548 56.400 0.071 0.000 0.907 592 E CB 0.716 30.460 29.700 0.074 0.000 1.022 592 E HN 0.175 nan 8.360 nan 0.000 0.428 593 I N 3.735 124.293 120.570 -0.020 0.000 2.433 593 I HA 0.245 4.417 4.170 0.003 0.000 0.292 593 I C -0.466 175.627 176.117 -0.041 0.000 1.001 593 I CA -0.861 60.395 61.300 -0.074 0.000 1.119 593 I CB 0.974 38.757 38.000 -0.362 0.000 1.289 593 I HN 0.442 nan 8.210 nan 0.000 0.438 594 F N 7.156 127.047 119.950 -0.098 0.000 2.411 594 F HA 0.584 5.113 4.527 0.003 0.000 0.350 594 F C -0.151 175.610 175.800 -0.065 0.000 1.114 594 F CA -0.169 57.781 58.000 -0.083 0.000 1.135 594 F CB 0.659 39.627 39.000 -0.052 0.000 1.120 594 F HN 0.253 nan 8.300 nan 0.000 0.495 595 I N 6.118 126.338 120.570 -0.584 0.000 3.067 595 I HA 0.459 4.631 4.170 0.003 0.000 0.312 595 I C -0.762 175.009 176.117 -0.576 0.000 1.073 595 I CA -1.013 60.048 61.300 -0.399 0.000 1.016 595 I CB 2.430 40.184 38.000 -0.410 0.000 1.227 595 I HN 0.391 nan 8.210 nan 0.000 0.456 596 I N 3.109 123.533 120.570 -0.243 0.000 2.649 596 I HA 0.095 4.266 4.170 0.003 0.000 0.275 596 I C -0.718 175.305 176.117 -0.156 0.000 1.180 596 I CA -0.623 60.558 61.300 -0.199 0.000 1.049 596 I CB 0.995 38.925 38.000 -0.117 0.000 1.234 596 I HN 0.679 nan 8.210 nan 0.000 0.506 597 N N 6.533 125.099 118.700 -0.224 0.000 2.239 597 N HA -0.021 4.721 4.740 0.003 0.000 0.225 597 N C -1.770 173.482 175.510 -0.431 0.000 1.283 597 N CA -0.636 52.066 53.050 -0.580 0.000 0.868 597 N CB -0.059 38.220 38.487 -0.346 0.000 1.098 597 N HN 0.250 nan 8.380 nan 0.000 0.436 598 P HA -0.092 nan 4.420 nan 0.000 0.239 598 P C 0.061 177.317 177.300 -0.074 0.000 1.184 598 P CA 1.005 63.999 63.100 -0.177 0.000 0.760 598 P CB 0.248 31.938 31.700 -0.016 0.000 0.884 599 E N -0.928 119.213 120.200 -0.098 0.000 2.415 599 E HA 0.133 4.485 4.350 0.003 0.000 0.197 599 E C 1.648 178.249 176.600 0.003 0.000 1.007 599 E CA 0.747 57.128 56.400 -0.031 0.000 0.890 599 E CB -0.131 29.550 29.700 -0.032 0.000 0.891 599 E HN 0.287 nan 8.360 nan 0.000 0.496 600 G N 1.791 110.606 108.800 0.024 0.000 2.179 600 G HA2 -0.247 3.715 3.960 0.003 0.000 0.220 600 G HA3 -0.247 3.715 3.960 0.003 0.000 0.220 600 G C -0.028 174.966 174.900 0.156 0.000 0.990 600 G CA 0.077 45.244 45.100 0.113 0.000 0.646 600 G HN 0.305 nan 8.290 nan 0.000 0.517 601 E N 0.342 120.588 120.200 0.078 0.000 2.354 601 E HA 0.516 4.868 4.350 0.003 0.000 0.269 601 E C 0.034 176.775 176.600 0.235 0.000 1.036 601 E CA -0.293 56.140 56.400 0.054 0.000 0.876 601 E CB 0.745 30.451 29.700 0.010 0.000 1.009 601 E HN 0.362 nan 8.360 nan 0.000 0.416 602 F N 2.115 122.002 119.950 -0.106 0.000 2.377 602 F HA 0.522 5.052 4.527 0.004 0.000 0.328 602 F C 0.553 176.175 175.800 -0.295 0.000 1.094 602 F CA -0.939 56.912 58.000 -0.249 0.000 1.093 602 F CB 0.890 39.876 39.000 -0.023 0.000 1.214 602 F HN 0.174 nan 8.300 nan 0.000 0.518 603 I N 2.871 123.210 120.570 -0.385 0.000 2.775 603 I HA 0.291 4.463 4.170 0.003 0.000 0.295 603 I C -1.625 174.267 176.117 -0.375 0.000 1.287 603 I CA -0.834 60.292 61.300 -0.289 0.000 1.029 603 I CB 2.765 40.607 38.000 -0.264 0.000 1.282 603 I HN 0.319 nan 8.210 nan 0.000 0.426 604 L N 5.453 126.588 121.223 -0.147 0.000 2.457 604 L HA 0.512 4.854 4.340 0.003 0.000 0.266 604 L C 0.295 177.111 176.870 -0.091 0.000 0.979 604 L CA 0.080 54.887 54.840 -0.054 0.000 0.857 604 L CB 1.595 43.724 42.059 0.118 0.000 1.213 604 L HN 0.801 nan 8.230 nan 0.000 0.418 605 T N 1.027 115.479 114.554 -0.170 0.000 2.680 605 T HA 0.243 4.595 4.350 0.003 0.000 0.314 605 T C 0.724 175.394 174.700 -0.051 0.000 1.045 605 T CA 0.185 62.200 62.100 -0.141 0.000 1.025 605 T CB 0.770 69.507 68.868 -0.219 0.000 1.000 605 T HN 0.780 nan 8.240 nan 0.000 0.535 606 K N -0.071 120.313 120.400 -0.027 0.000 2.436 606 K HA 0.250 4.572 4.320 0.003 0.000 0.198 606 K C 0.384 177.005 176.600 0.036 0.000 1.174 606 K CA -0.289 56.004 56.287 0.011 0.000 0.951 606 K CB 0.403 32.911 32.500 0.013 0.000 1.040 606 K HN 0.459 nan 8.250 nan 0.000 0.536 607 N N -0.711 118.003 118.700 0.024 0.000 2.453 607 N HA 0.071 4.813 4.740 0.003 0.000 0.290 607 N C -0.490 175.076 175.510 0.092 0.000 1.250 607 N CA -0.515 52.579 53.050 0.074 0.000 0.815 607 N CB 1.020 39.536 38.487 0.047 0.000 1.381 607 N HN 0.089 nan 8.380 nan 0.000 0.510 608 W N 1.220 122.529 121.300 0.015 0.000 2.425 608 W HA -0.098 4.564 4.660 0.004 0.000 0.277 608 W C 0.409 176.920 176.519 -0.014 0.000 1.231 608 W CA 1.236 58.609 57.345 0.047 0.000 1.248 608 W CB 0.472 29.970 29.460 0.064 0.000 1.117 608 W HN 0.599 nan 8.180 nan 0.000 0.568 609 E N 0.230 120.384 120.200 -0.077 0.000 2.033 609 E HA -0.211 4.141 4.350 0.003 0.000 0.189 609 E C 2.200 178.642 176.600 -0.265 0.000 0.979 609 E CA 1.587 57.861 56.400 -0.210 0.000 0.802 609 E CB -1.174 28.476 29.700 -0.083 0.000 0.763 609 E HN 0.141 nan 8.360 nan 0.000 0.449 610 M N 0.666 120.172 119.600 -0.156 0.000 2.108 610 M HA -0.250 4.232 4.480 0.003 0.000 0.257 610 M C 1.611 177.811 176.300 -0.167 0.000 1.071 610 M CA 1.849 57.074 55.300 -0.125 0.000 1.093 610 M CB -0.268 32.291 32.600 -0.069 0.000 1.345 610 M HN 0.130 nan 8.290 nan 0.000 0.403 611 T N -0.003 114.396 114.554 -0.259 0.000 2.708 611 T HA -0.099 4.253 4.350 0.003 0.000 0.266 611 T C 1.627 176.109 174.700 -0.364 0.000 1.037 611 T CA 1.536 63.437 62.100 -0.332 0.000 1.146 611 T CB -0.984 67.621 68.868 -0.437 0.000 0.865 611 T HN 0.698 nan 8.240 nan 0.000 0.435 612 G N 1.347 109.780 108.800 -0.611 0.000 2.459 612 G HA2 -0.237 3.725 3.960 0.003 0.000 0.217 612 G HA3 -0.237 3.725 3.960 0.003 0.000 0.217 612 G C 1.711 176.271 174.900 -0.567 0.000 1.183 612 G CA 0.654 45.195 45.100 -0.932 0.000 0.776 612 G HN 0.389 nan 8.290 nan 0.000 0.552 613 R N -0.775 119.494 120.500 -0.386 0.000 2.083 613 R HA -0.063 4.279 4.340 0.003 0.000 0.237 613 R C 2.272 178.455 176.300 -0.194 0.000 1.137 613 R CA 1.505 57.446 56.100 -0.264 0.000 0.951 613 R CB -0.622 29.566 30.300 -0.187 0.000 0.851 613 R HN 0.414 nan 8.270 nan 0.000 0.434 614 F N 1.354 121.131 119.950 -0.288 0.000 2.000 614 F HA -0.276 4.253 4.527 0.003 0.000 0.296 614 F C 2.074 177.690 175.800 -0.308 0.000 1.159 614 F CA 1.911 59.758 58.000 -0.255 0.000 1.183 614 F CB -0.353 38.506 39.000 -0.234 0.000 0.959 614 F HN -0.098 nan 8.300 nan 0.000 0.490 615 I N 0.289 120.910 120.570 0.084 0.000 2.290 615 I HA -0.383 3.789 4.170 0.003 0.000 0.253 615 I C 2.210 178.140 176.117 -0.313 0.000 1.112 615 I CA 1.869 63.066 61.300 -0.172 0.000 1.377 615 I CB -0.753 37.074 38.000 -0.288 0.000 1.060 615 I HN 0.404 nan 8.210 nan 0.000 0.428 616 E N 0.587 120.603 120.200 -0.307 0.000 2.107 616 E HA -0.221 4.130 4.350 0.003 0.000 0.191 616 E C 2.205 178.654 176.600 -0.252 0.000 0.982 616 E CA 0.940 57.172 56.400 -0.279 0.000 0.809 616 E CB 0.020 29.547 29.700 -0.288 0.000 0.756 616 E HN 0.461 nan 8.360 nan 0.000 0.459 617 K N 0.804 121.023 120.400 -0.300 0.000 2.067 617 K HA -0.051 4.271 4.320 0.003 0.000 0.203 617 K C 1.104 177.493 176.600 -0.351 0.000 1.048 617 K CA 1.382 57.486 56.287 -0.305 0.000 0.954 617 K CB 0.165 32.461 32.500 -0.340 0.000 0.737 617 K HN -0.010 nan 8.250 nan 0.000 0.444 618 N N -0.286 118.102 118.700 -0.521 0.000 2.282 618 N HA 0.173 4.915 4.740 0.003 0.000 0.185 618 N C 0.964 176.124 175.510 -0.585 0.000 1.099 618 N CA 0.264 53.002 53.050 -0.519 0.000 0.878 618 N CB 0.597 38.649 38.487 -0.726 0.000 0.993 618 N HN 0.170 nan 8.380 nan 0.000 0.481 619 I N -0.980 119.282 120.570 -0.514 0.000 4.716 619 I HA 0.088 4.260 4.170 0.003 0.000 0.240 619 I C 1.533 177.551 176.117 -0.165 0.000 1.006 619 I CA 0.048 61.072 61.300 -0.461 0.000 1.875 619 I CB -0.729 36.961 38.000 -0.518 0.000 1.537 619 I HN -0.150 nan 8.210 nan 0.000 0.461 620 T N 1.509 115.960 114.554 -0.171 0.000 2.527 620 T HA -0.281 4.071 4.350 0.003 0.000 0.258 620 T C 1.757 176.437 174.700 -0.033 0.000 1.175 620 T CA 2.528 64.591 62.100 -0.062 0.000 1.168 620 T CB -1.110 67.693 68.868 -0.109 0.000 0.860 620 T HN 0.679 nan 8.240 nan 0.000 0.429 621 G N 1.927 110.674 108.800 -0.088 0.000 2.469 621 G HA2 -0.178 3.784 3.960 0.003 0.000 0.220 621 G HA3 -0.178 3.784 3.960 0.003 0.000 0.220 621 G C 1.084 175.970 174.900 -0.024 0.000 1.136 621 G CA 1.066 46.127 45.100 -0.065 0.000 0.759 621 G HN 0.383 nan 8.290 nan 0.000 0.562 622 K N 0.245 120.636 120.400 -0.016 0.000 2.863 622 K HA 0.230 4.552 4.320 0.003 0.000 0.304 622 K C 0.364 177.058 176.600 0.157 0.000 1.015 622 K CA -0.295 56.035 56.287 0.073 0.000 1.093 622 K CB 0.164 32.722 32.500 0.097 0.000 1.345 622 K HN -0.153 nan 8.250 nan 0.000 0.500 623 D N 0.438 120.995 120.400 0.262 0.000 2.587 623 D HA 0.083 4.725 4.640 0.003 0.000 0.233 623 D C -0.737 175.601 176.300 0.063 0.000 1.213 623 D CA 0.195 54.268 54.000 0.122 0.000 0.827 623 D CB -0.111 40.690 40.800 0.001 0.000 1.006 623 D HN 0.208 nan 8.370 nan 0.000 0.490 624 Y N 0.405 120.724 120.300 0.032 0.000 2.387 624 Y HA 0.309 4.860 4.550 0.003 0.000 0.336 624 Y C 0.237 176.180 175.900 0.072 0.000 1.067 624 Y CA -1.386 56.746 58.100 0.053 0.000 1.114 624 Y CB 1.225 39.733 38.460 0.080 0.000 1.208 624 Y HN -0.122 nan 8.280 nan 0.000 0.458 625 L N 4.826 126.163 121.223 0.190 0.000 2.313 625 L HA 0.381 4.723 4.340 0.003 0.000 0.282 625 L C -1.527 175.506 176.870 0.272 0.000 1.092 625 L CA -0.585 54.367 54.840 0.188 0.000 0.831 625 L CB -0.444 41.670 42.059 0.091 0.000 1.159 625 L HN 0.626 nan 8.230 nan 0.000 0.442 626 Y N 5.496 125.890 120.300 0.157 0.000 2.562 626 Y HA 0.669 5.222 4.550 0.004 0.000 0.345 626 Y C -1.543 174.484 175.900 0.213 0.000 1.045 626 Y CA -0.916 57.249 58.100 0.108 0.000 1.028 626 Y CB 1.682 40.199 38.460 0.096 0.000 1.297 626 Y HN 0.678 nan 8.280 nan 0.000 0.463 627 Y N 2.757 122.995 120.300 -0.103 0.000 2.571 627 Y HA 0.687 5.239 4.550 0.004 0.000 0.341 627 Y C -1.973 173.938 175.900 0.018 0.000 1.076 627 Y CA -2.662 55.523 58.100 0.141 0.000 1.029 627 Y CB 0.624 39.106 38.460 0.036 0.000 1.308 627 Y HN 0.578 nan 8.280 nan 0.000 0.461 628 F N 0.318 120.405 119.950 0.228 0.000 2.508 628 F HA 0.570 5.101 4.527 0.006 0.000 0.325 628 F C 0.136 175.888 175.800 -0.080 0.000 1.090 628 F CA -1.627 56.376 58.000 0.004 0.000 0.945 628 F CB 1.418 40.300 39.000 -0.197 0.000 1.156 628 F HN 0.730 nan 8.300 nan 0.000 0.463 629 N N 2.960 121.438 118.700 -0.369 0.000 1.939 629 N HA -0.168 4.574 4.740 0.003 0.000 0.301 629 N C 1.065 176.167 175.510 -0.681 0.000 1.353 629 N CA 0.036 52.621 53.050 -0.775 0.000 0.851 629 N CB 0.512 37.988 38.487 -1.685 0.000 1.153 629 N HN 0.568 nan 8.380 nan 0.000 0.496 630 R N 1.693 121.901 120.500 -0.486 0.000 2.276 630 R HA -0.114 4.228 4.340 0.003 0.000 0.243 630 R C 0.680 176.780 176.300 -0.332 0.000 1.161 630 R CA 0.993 56.844 56.100 -0.415 0.000 1.007 630 R CB -0.539 29.571 30.300 -0.317 0.000 0.867 630 R HN 0.479 nan 8.270 nan 0.000 0.472 631 S N -0.004 115.470 115.700 -0.377 0.000 2.605 631 S HA 0.123 4.595 4.470 0.003 0.000 0.217 631 S C 1.201 175.726 174.600 -0.124 0.000 0.958 631 S CA -0.352 57.699 58.200 -0.248 0.000 0.919 631 S CB -0.113 62.928 63.200 -0.265 0.000 0.780 631 S HN 0.387 nan 8.310 nan 0.000 0.507 632 Y N 2.297 122.552 120.300 -0.075 0.000 2.181 632 Y HA -0.076 4.478 4.550 0.006 0.000 0.288 632 Y C 1.966 177.824 175.900 -0.070 0.000 1.146 632 Y CA 0.462 58.573 58.100 0.017 0.000 1.164 632 Y CB 0.112 38.739 38.460 0.279 0.000 0.982 632 Y HN 0.322 nan 8.280 nan 0.000 0.515 633 N N -0.574 118.230 118.700 0.174 0.000 2.205 633 N HA 0.080 4.822 4.740 0.003 0.000 0.201 633 N C 0.019 175.631 175.510 0.169 0.000 1.128 633 N CA 0.278 53.354 53.050 0.043 0.000 0.867 633 N CB 0.577 39.199 38.487 0.225 0.000 0.996 633 N HN 0.317 nan 8.380 nan 0.000 0.503 634 K N 0.660 121.133 120.400 0.123 0.000 2.642 634 K HA 0.504 4.826 4.320 0.003 0.000 0.273 634 K C -0.330 176.406 176.600 0.227 0.000 1.029 634 K CA -0.651 55.739 56.287 0.172 0.000 1.071 634 K CB 0.856 33.384 32.500 0.047 0.000 1.451 634 K HN -0.183 nan 8.250 nan 0.000 0.559 635 I N 0.671 121.317 120.570 0.127 0.000 2.464 635 I HA 0.244 4.416 4.170 0.003 0.000 0.277 635 I C -0.309 175.800 176.117 -0.013 0.000 1.040 635 I CA -0.681 60.683 61.300 0.107 0.000 1.153 635 I CB 1.099 39.141 38.000 0.070 0.000 1.274 635 I HN 0.406 nan 8.210 nan 0.000 0.469 636 A N 7.374 130.163 122.820 -0.052 0.000 2.561 636 A HA 0.276 4.598 4.320 0.003 0.000 0.251 636 A C -1.449 176.029 177.584 -0.176 0.000 1.062 636 A CA -0.376 51.573 52.037 -0.147 0.000 0.761 636 A CB -0.296 18.600 19.000 -0.173 0.000 0.986 636 A HN 0.579 nan 8.150 nan 0.000 0.510 637 P HA -0.160 nan 4.420 nan 0.000 0.211 637 P C 1.904 179.026 177.300 -0.297 0.000 1.179 637 P CA 1.880 64.851 63.100 -0.215 0.000 0.910 637 P CB -0.035 31.539 31.700 -0.209 0.000 0.785 638 G N 0.469 108.916 108.800 -0.589 0.000 2.681 638 G HA2 -0.332 3.630 3.960 0.003 0.000 0.220 638 G HA3 -0.332 3.630 3.960 0.003 0.000 0.220 638 G C 1.064 175.737 174.900 -0.378 0.000 1.210 638 G CA 1.722 46.198 45.100 -1.040 0.000 0.783 638 G HN 0.518 nan 8.290 nan 0.000 0.609 639 N N -0.617 117.914 118.700 -0.282 0.000 2.236 639 N HA 0.173 4.915 4.740 0.003 0.000 0.196 639 N C 0.054 175.555 175.510 -0.014 0.000 1.114 639 N CA 0.140 53.217 53.050 0.046 0.000 0.859 639 N CB 0.256 38.841 38.487 0.164 0.000 0.982 639 N HN 0.223 nan 8.380 nan 0.000 0.493 640 K N 0.309 120.664 120.400 -0.076 0.000 3.278 640 K HA -0.202 4.120 4.320 0.003 0.000 0.270 640 K C -0.832 175.765 176.600 -0.004 0.000 0.955 640 K CA 0.293 56.555 56.287 -0.043 0.000 0.723 640 K CB -1.314 31.169 32.500 -0.027 0.000 1.382 640 K HN 0.541 nan 8.250 nan 0.000 0.461 641 A N 0.825 123.642 122.820 -0.005 0.000 2.340 641 A HA 0.619 4.941 4.320 0.003 0.000 0.331 641 A C -1.319 176.316 177.584 0.084 0.000 1.140 641 A CA -0.556 51.500 52.037 0.031 0.000 0.801 641 A CB 0.760 19.761 19.000 0.001 0.000 1.234 641 A HN 0.330 nan 8.150 nan 0.000 0.469 642 Y N 3.060 123.344 120.300 -0.028 0.000 2.402 642 Y HA 0.571 5.122 4.550 0.002 0.000 0.332 642 Y C -0.184 175.712 175.900 -0.006 0.000 0.960 642 Y CA -0.722 57.376 58.100 -0.004 0.000 1.228 642 Y CB 0.309 38.766 38.460 -0.005 0.000 1.120 642 Y HN 0.599 nan 8.280 nan 0.000 0.491 643 I N 2.972 123.345 120.570 -0.328 0.000 3.932 643 I HA 0.401 4.573 4.170 0.003 0.000 0.256 643 I C -0.521 175.345 176.117 -0.418 0.000 1.408 643 I CA -1.007 60.104 61.300 -0.315 0.000 0.882 643 I CB 1.270 39.193 38.000 -0.129 0.000 1.657 643 I HN 0.464 nan 8.210 nan 0.000 0.733 644 E N 0.521 120.606 120.200 -0.190 0.000 2.321 644 E HA 0.241 4.593 4.350 0.003 0.000 0.281 644 E C -2.070 174.731 176.600 0.335 0.000 0.910 644 E CA -0.584 55.818 56.400 0.003 0.000 0.770 644 E CB 1.987 31.709 29.700 0.037 0.000 1.225 644 E HN 0.469 nan 8.360 nan 0.000 0.417 645 W N 5.211 126.531 121.300 0.034 0.000 3.132 645 W HA 0.208 4.871 4.660 0.006 0.000 0.337 645 W C -0.860 175.612 176.519 -0.079 0.000 1.082 645 W CA -0.650 56.666 57.345 -0.047 0.000 1.242 645 W CB 1.634 31.018 29.460 -0.127 0.000 1.354 645 W HN 0.640 nan 8.180 nan 0.000 0.461 646 T N 1.638 115.961 114.554 -0.385 0.000 2.792 646 T HA -0.045 4.307 4.350 0.003 0.000 0.286 646 T C -0.342 174.237 174.700 -0.202 0.000 0.970 646 T CA 0.317 62.261 62.100 -0.260 0.000 1.187 646 T CB 0.937 69.601 68.868 -0.339 0.000 0.915 646 T HN 0.310 nan 8.240 nan 0.000 0.529 647 D N 3.824 124.247 120.400 0.039 0.000 2.381 647 D HA 0.340 4.982 4.640 0.003 0.000 0.235 647 D C -1.720 174.654 176.300 0.125 0.000 1.068 647 D CA -2.636 51.473 54.000 0.181 0.000 0.832 647 D CB 1.987 43.054 40.800 0.445 0.000 1.101 647 D HN 0.148 nan 8.370 nan 0.000 0.515 648 P HA -0.123 nan 4.420 nan 0.000 0.214 648 P C 1.739 179.098 177.300 0.099 0.000 1.163 648 P CA 1.094 64.239 63.100 0.076 0.000 0.889 648 P CB 0.237 31.984 31.700 0.078 0.000 0.790 649 I N -1.277 119.375 120.570 0.135 0.000 2.113 649 I HA -0.323 3.849 4.170 0.003 0.000 0.242 649 I C 2.112 178.291 176.117 0.104 0.000 1.064 649 I CA 2.093 63.462 61.300 0.116 0.000 1.320 649 I CB -1.758 36.318 38.000 0.126 0.000 1.028 649 I HN 0.024 nan 8.210 nan 0.000 0.406 650 T N 0.433 115.063 114.554 0.126 0.000 2.720 650 T HA -0.241 4.111 4.350 0.003 0.000 0.268 650 T C 1.884 176.638 174.700 0.090 0.000 1.037 650 T CA 1.614 63.783 62.100 0.115 0.000 1.144 650 T CB -0.269 68.683 68.868 0.140 0.000 0.864 650 T HN 0.283 nan 8.240 nan 0.000 0.444 651 K N 0.665 121.110 120.400 0.075 0.000 2.519 651 K HA 0.056 4.378 4.320 0.003 0.000 0.196 651 K C 1.299 177.928 176.600 0.049 0.000 1.041 651 K CA 0.778 57.096 56.287 0.052 0.000 0.954 651 K CB -0.027 32.491 32.500 0.031 0.000 0.774 651 K HN 0.288 nan 8.250 nan 0.000 0.480 652 A N -0.036 122.818 122.820 0.056 0.000 2.594 652 A HA 0.126 4.448 4.320 0.003 0.000 0.287 652 A C 1.300 178.913 177.584 0.048 0.000 1.227 652 A CA -0.447 51.619 52.037 0.048 0.000 0.952 652 A CB 0.114 19.143 19.000 0.048 0.000 1.161 652 A HN 0.185 nan 8.150 nan 0.000 0.524 653 K N 0.466 120.903 120.400 0.061 0.000 2.067 653 K HA 0.090 4.411 4.320 0.003 0.000 0.203 653 K C 1.306 177.934 176.600 0.048 0.000 1.048 653 K CA 0.993 57.318 56.287 0.063 0.000 0.954 653 K CB -0.226 32.334 32.500 0.100 0.000 0.737 653 K HN 0.443 nan 8.250 nan 0.000 0.444 654 I N 1.834 122.445 120.570 0.068 0.000 2.576 654 I HA -0.307 3.865 4.170 0.003 0.000 0.263 654 I C 0.379 176.494 176.117 -0.003 0.000 1.183 654 I CA 1.445 62.780 61.300 0.058 0.000 1.432 654 I CB -0.534 37.503 38.000 0.062 0.000 1.100 654 I HN 0.319 nan 8.210 nan 0.000 0.452 655 N N -0.401 118.293 118.700 -0.010 0.000 2.282 655 N HA 0.132 4.874 4.740 0.003 0.000 0.240 655 N C -0.554 174.923 175.510 -0.055 0.000 1.182 655 N CA -0.081 52.947 53.050 -0.037 0.000 0.874 655 N CB 0.908 39.386 38.487 -0.015 0.000 1.126 655 N HN 0.040 nan 8.380 nan 0.000 0.516 656 T N 0.977 115.491 114.554 -0.065 0.000 2.840 656 T HA 0.275 4.627 4.350 0.003 0.000 0.287 656 T C -0.069 174.544 174.700 -0.144 0.000 0.991 656 T CA -0.482 61.577 62.100 -0.069 0.000 0.964 656 T CB 1.864 70.737 68.868 0.007 0.000 0.954 656 T HN 0.110 nan 8.240 nan 0.000 0.438 657 I N 6.528 126.936 120.570 -0.270 0.000 2.752 657 I HA 0.118 4.290 4.170 0.003 0.000 0.289 657 I C -1.646 174.377 176.117 -0.156 0.000 1.197 657 I CA -1.656 59.424 61.300 -0.367 0.000 1.432 657 I CB 1.043 38.571 38.000 -0.787 0.000 1.359 657 I HN 0.370 nan 8.210 nan 0.000 0.571 658 P HA 0.129 nan 4.420 nan 0.000 0.274 658 P C -0.716 176.602 177.300 0.029 0.000 1.256 658 P CA -0.290 62.776 63.100 -0.056 0.000 0.795 658 P CB 0.521 32.169 31.700 -0.087 0.000 1.038 659 T N -1.849 112.704 114.554 -0.001 0.000 2.849 659 T HA 0.129 4.481 4.350 0.003 0.000 0.276 659 T C 1.533 176.285 174.700 0.086 0.000 0.971 659 T CA -0.379 61.727 62.100 0.009 0.000 0.949 659 T CB 0.118 68.895 68.868 -0.151 0.000 1.093 659 T HN 0.443 nan 8.240 nan 0.000 0.545 660 S N 0.419 116.184 115.700 0.108 0.000 2.354 660 S HA -0.161 4.311 4.470 0.003 0.000 0.219 660 S C 2.345 177.043 174.600 0.164 0.000 1.035 660 S CA 1.486 59.776 58.200 0.151 0.000 1.037 660 S CB -1.157 62.114 63.200 0.119 0.000 0.956 660 S HN 0.820 nan 8.310 nan 0.000 0.428 661 A N 0.742 123.611 122.820 0.081 0.000 2.019 661 A HA -0.079 4.243 4.320 0.003 0.000 0.219 661 A C 2.061 179.671 177.584 0.044 0.000 1.164 661 A CA 1.712 53.776 52.037 0.045 0.000 0.644 661 A CB -0.765 18.240 19.000 0.007 0.000 0.805 661 A HN 0.784 nan 8.150 nan 0.000 0.449 662 E N -1.545 118.690 120.200 0.058 0.000 2.204 662 E HA -0.151 4.201 4.350 0.003 0.000 0.194 662 E C 1.548 178.235 176.600 0.144 0.000 0.989 662 E CA 0.857 57.294 56.400 0.062 0.000 0.824 662 E CB -0.142 29.582 29.700 0.041 0.000 0.756 662 E HN 0.617 nan 8.360 nan 0.000 0.477 663 F N 1.328 121.282 119.950 0.006 0.000 2.059 663 F HA -0.021 4.508 4.527 0.004 0.000 0.289 663 F C 2.014 177.818 175.800 0.006 0.000 1.128 663 F CA 1.052 59.078 58.000 0.043 0.000 1.181 663 F CB -0.754 38.259 39.000 0.022 0.000 1.012 663 F HN -0.089 nan 8.300 nan 0.000 0.473 664 I N 0.378 120.877 120.570 -0.118 0.000 2.181 664 I HA -0.418 3.754 4.170 0.003 0.000 0.247 664 I C 2.381 178.366 176.117 -0.221 0.000 1.081 664 I CA 1.725 62.878 61.300 -0.247 0.000 1.340 664 I CB -0.538 37.422 38.000 -0.067 0.000 1.036 664 I HN 0.177 nan 8.210 nan 0.000 0.417 665 K N 1.243 121.567 120.400 -0.126 0.000 1.978 665 K HA -0.178 4.144 4.320 0.003 0.000 0.214 665 K C 1.710 178.185 176.600 -0.208 0.000 1.049 665 K CA 1.965 58.175 56.287 -0.128 0.000 0.939 665 K CB -0.473 31.984 32.500 -0.073 0.000 0.721 665 K HN 0.333 nan 8.250 nan 0.000 0.441 666 N N 0.105 118.673 118.700 -0.221 0.000 2.069 666 N HA -0.240 4.502 4.740 0.003 0.000 0.196 666 N C 1.744 176.889 175.510 -0.608 0.000 1.024 666 N CA 1.614 54.418 53.050 -0.409 0.000 0.869 666 N CB -0.274 37.944 38.487 -0.449 0.000 1.035 666 N HN 0.058 nan 8.380 nan 0.000 0.434 667 L N 0.510 121.364 121.223 -0.616 0.000 1.944 667 L HA -0.244 4.097 4.340 0.003 0.000 0.218 667 L C 2.733 179.378 176.870 -0.375 0.000 1.075 667 L CA 1.308 55.805 54.840 -0.572 0.000 0.767 667 L CB -1.038 40.754 42.059 -0.445 0.000 0.890 667 L HN 0.235 nan 8.230 nan 0.000 0.434 668 S N -0.477 115.060 115.700 -0.272 0.000 2.414 668 S HA -0.349 4.123 4.470 0.003 0.000 0.241 668 S C 2.244 176.732 174.600 -0.186 0.000 1.079 668 S CA 2.267 60.354 58.200 -0.187 0.000 1.087 668 S CB -0.462 62.646 63.200 -0.153 0.000 0.927 668 S HN 0.560 nan 8.310 nan 0.000 0.456 669 S N 1.359 116.918 115.700 -0.236 0.000 2.398 669 S HA -0.145 4.327 4.470 0.003 0.000 0.220 669 S C 1.855 176.332 174.600 -0.206 0.000 1.038 669 S CA 1.952 60.022 58.200 -0.216 0.000 1.080 669 S CB -1.026 62.020 63.200 -0.257 0.000 1.039 669 S HN 0.662 nan 8.310 nan 0.000 0.419 670 I N 1.471 121.861 120.570 -0.301 0.000 2.236 670 I HA -0.237 3.935 4.170 0.003 0.000 0.249 670 I C 2.905 178.998 176.117 -0.041 0.000 1.102 670 I CA 1.853 63.019 61.300 -0.224 0.000 1.365 670 I CB -0.694 37.013 38.000 -0.489 0.000 1.051 670 I HN 0.386 nan 8.210 nan 0.000 0.420 671 R N 1.017 121.504 120.500 -0.022 0.000 2.117 671 R HA -0.158 4.184 4.340 0.003 0.000 0.243 671 R C 2.056 178.339 176.300 -0.028 0.000 1.143 671 R CA 1.365 57.475 56.100 0.017 0.000 0.968 671 R CB -0.052 30.225 30.300 -0.038 0.000 0.863 671 R HN 0.164 nan 8.270 nan 0.000 0.444 672 R N -0.366 120.099 120.500 -0.058 0.000 2.426 672 R HA 0.078 4.420 4.340 0.003 0.000 0.263 672 R C 1.033 177.301 176.300 -0.053 0.000 0.961 672 R CA 0.260 56.326 56.100 -0.056 0.000 1.086 672 R CB 0.335 30.596 30.300 -0.066 0.000 1.186 672 R HN 0.177 nan 8.270 nan 0.000 0.537 673 S N -1.580 114.092 115.700 -0.048 0.000 2.731 673 S HA 0.188 4.660 4.470 0.003 0.000 0.244 673 S C 0.521 175.107 174.600 -0.023 0.000 1.084 673 S CA -0.030 58.142 58.200 -0.046 0.000 0.877 673 S CB 0.366 63.525 63.200 -0.068 0.000 0.798 673 S HN 0.192 nan 8.310 nan 0.000 0.496 674 S N 1.633 117.334 115.700 0.001 0.000 2.718 674 S HA 0.503 4.975 4.470 0.003 0.000 0.292 674 S C -0.284 174.316 174.600 0.000 0.000 1.125 674 S CA -0.766 57.441 58.200 0.012 0.000 1.013 674 S CB 0.424 63.651 63.200 0.045 0.000 1.192 674 S HN 0.378 nan 8.310 nan 0.000 0.535 675 N N 0.583 119.279 118.700 -0.007 0.000 2.541 675 N HA 0.402 5.144 4.740 0.003 0.000 0.297 675 N C -1.075 174.415 175.510 -0.032 0.000 1.503 675 N CA 0.186 53.224 53.050 -0.020 0.000 0.919 675 N CB 0.937 39.411 38.487 -0.022 0.000 1.305 675 N HN 0.593 nan 8.380 nan 0.000 0.501 676 V N -0.652 119.243 119.914 -0.032 0.000 2.524 676 V HA 0.775 4.897 4.120 0.003 0.000 0.297 676 V C 0.695 176.702 176.094 -0.145 0.000 1.035 676 V CA -0.802 61.446 62.300 -0.087 0.000 0.867 676 V CB 1.490 33.258 31.823 -0.091 0.000 1.004 676 V HN 0.075 nan 8.190 nan 0.000 0.426 677 G N 1.750 110.431 108.800 -0.199 0.000 2.562 677 G HA2 0.493 4.455 3.960 0.003 0.000 0.275 677 G HA3 0.493 4.455 3.960 0.003 0.000 0.275 677 G C 0.969 175.579 174.900 -0.484 0.000 1.196 677 G CA 0.364 45.308 45.100 -0.259 0.000 0.908 677 G HN 1.351 nan 8.290 nan 0.000 0.524 678 V N -0.705 118.986 119.914 -0.371 0.000 2.660 678 V HA -0.012 4.110 4.120 0.003 0.000 0.257 678 V C 0.620 176.664 176.094 -0.082 0.000 1.088 678 V CA 1.828 63.988 62.300 -0.233 0.000 1.106 678 V CB -2.287 29.682 31.823 0.243 0.000 0.686 678 V HN 0.726 nan 8.190 nan 0.000 0.481 679 Y N -1.927 118.322 120.300 -0.087 0.000 2.519 679 Y HA 0.719 5.271 4.550 0.004 0.000 0.336 679 Y C -0.809 175.063 175.900 -0.046 0.000 1.089 679 Y CA -2.537 55.529 58.100 -0.056 0.000 1.025 679 Y CB 1.185 39.630 38.460 -0.025 0.000 1.318 679 Y HN -0.113 nan 8.280 nan 0.000 0.452 680 K N 1.286 121.816 120.400 0.216 0.000 2.095 680 K HA 0.250 4.572 4.320 0.003 0.000 0.252 680 K C -0.884 175.863 176.600 0.244 0.000 0.977 680 K CA -0.704 55.665 56.287 0.136 0.000 0.900 680 K CB 1.041 33.573 32.500 0.053 0.000 1.060 680 K HN 0.909 nan 8.250 nan 0.000 0.449 681 D N 1.834 122.330 120.400 0.159 0.000 2.688 681 D HA 0.041 4.683 4.640 0.003 0.000 0.228 681 D C -0.439 175.915 176.300 0.091 0.000 1.116 681 D CA 0.051 54.138 54.000 0.144 0.000 1.023 681 D CB -0.036 40.824 40.800 0.099 0.000 1.100 681 D HN 0.515 nan 8.370 nan 0.000 0.487 682 S N -0.279 115.475 115.700 0.091 0.000 3.081 682 S HA 0.699 5.171 4.470 0.003 0.000 0.316 682 S C 1.180 175.811 174.600 0.052 0.000 1.089 682 S CA -0.232 58.004 58.200 0.058 0.000 0.897 682 S CB 1.154 64.383 63.200 0.048 0.000 1.358 682 S HN 0.110 nan 8.310 nan 0.000 0.678 683 G N -0.782 108.037 108.800 0.031 0.000 2.850 683 G HA2 0.329 4.291 3.960 0.003 0.000 0.211 683 G HA3 0.329 4.291 3.960 0.003 0.000 0.211 683 G C 0.401 175.302 174.900 0.002 0.000 1.124 683 G CA 0.477 45.585 45.100 0.013 0.000 0.769 683 G HN 1.170 nan 8.290 nan 0.000 0.535 684 D N 1.821 122.229 120.400 0.015 0.000 2.536 684 D HA 0.148 4.790 4.640 0.003 0.000 0.260 684 D C 1.249 177.554 176.300 0.008 0.000 1.270 684 D CA -0.061 53.944 54.000 0.009 0.000 0.934 684 D CB 0.108 40.920 40.800 0.020 0.000 1.129 684 D HN 0.094 nan 8.370 nan 0.000 0.533 685 K N 1.374 121.753 120.400 -0.035 0.000 2.585 685 K HA -0.061 4.261 4.320 0.003 0.000 0.194 685 K C 0.358 176.959 176.600 0.001 0.000 1.037 685 K CA 0.524 56.764 56.287 -0.078 0.000 0.964 685 K CB 0.277 32.688 32.500 -0.149 0.000 0.787 685 K HN 0.579 nan 8.250 nan 0.000 0.488 686 D N -0.166 120.250 120.400 0.027 0.000 2.366 686 D HA -0.047 4.595 4.640 0.003 0.000 0.205 686 D C 1.687 178.027 176.300 0.066 0.000 1.022 686 D CA 0.363 54.387 54.000 0.041 0.000 0.868 686 D CB 0.384 41.196 40.800 0.020 0.000 0.953 686 D HN 0.117 nan 8.370 nan 0.000 0.514 687 E N 0.239 120.489 120.200 0.082 0.000 2.024 687 E HA -0.010 4.342 4.350 0.003 0.000 0.190 687 E C 1.686 178.346 176.600 0.100 0.000 0.974 687 E CA 0.416 56.873 56.400 0.095 0.000 0.810 687 E CB -0.412 29.350 29.700 0.103 0.000 0.775 687 E HN 0.233 nan 8.360 nan 0.000 0.453 688 F N 0.803 120.698 119.950 -0.091 0.000 2.147 688 F HA -0.283 4.246 4.527 0.004 0.000 0.301 688 F C 1.921 177.653 175.800 -0.114 0.000 1.084 688 F CA 1.582 59.492 58.000 -0.150 0.000 1.268 688 F CB -0.196 38.738 39.000 -0.110 0.000 1.009 688 F HN 0.128 nan 8.300 nan 0.000 0.486 689 A N 0.733 123.779 122.820 0.376 0.000 1.873 689 A HA -0.266 4.056 4.320 0.003 0.000 0.218 689 A C 2.231 179.847 177.584 0.053 0.000 1.193 689 A CA 2.212 54.385 52.037 0.227 0.000 0.629 689 A CB -0.826 18.248 19.000 0.123 0.000 0.826 689 A HN 0.513 nan 8.150 nan 0.000 0.447 690 K N -0.457 119.960 120.400 0.029 0.000 1.973 690 K HA -0.199 4.123 4.320 0.003 0.000 0.212 690 K C 2.274 178.855 176.600 -0.032 0.000 1.047 690 K CA 1.773 58.062 56.287 0.005 0.000 0.937 690 K CB -0.274 32.253 32.500 0.046 0.000 0.721 690 K HN 0.568 nan 8.250 nan 0.000 0.440 691 K N 1.615 121.928 120.400 -0.144 0.000 2.015 691 K HA -0.318 4.004 4.320 0.003 0.000 0.220 691 K C 2.101 178.526 176.600 -0.291 0.000 1.055 691 K CA 2.336 58.402 56.287 -0.369 0.000 0.951 691 K CB -0.249 31.545 32.500 -1.177 0.000 0.725 691 K HN -0.034 nan 8.250 nan 0.000 0.449 692 E N 0.530 120.458 120.200 -0.452 0.000 2.136 692 E HA -0.230 4.122 4.350 0.003 0.000 0.202 692 E C 2.034 178.535 176.600 -0.165 0.000 1.019 692 E CA 1.956 58.129 56.400 -0.379 0.000 0.819 692 E CB -0.620 28.834 29.700 -0.409 0.000 0.739 692 E HN 0.400 nan 8.360 nan 0.000 0.458 693 S N -1.258 114.380 115.700 -0.103 0.000 2.402 693 S HA -0.106 4.366 4.470 0.003 0.000 0.229 693 S C 1.958 176.546 174.600 -0.020 0.000 1.021 693 S CA 1.178 59.338 58.200 -0.066 0.000 0.974 693 S CB -0.324 62.842 63.200 -0.057 0.000 0.800 693 S HN 0.336 nan 8.310 nan 0.000 0.484 694 V N -0.035 119.925 119.914 0.076 0.000 2.591 694 V HA 0.149 4.271 4.120 0.003 0.000 0.249 694 V C 2.134 178.339 176.094 0.185 0.000 1.053 694 V CA 1.812 64.264 62.300 0.254 0.000 1.068 694 V CB -0.885 31.172 31.823 0.390 0.000 0.689 694 V HN 0.425 nan 8.190 nan 0.000 0.462 695 K N 0.400 120.839 120.400 0.065 0.000 2.280 695 K HA -0.161 4.161 4.320 0.003 0.000 0.202 695 K C 2.171 178.757 176.600 -0.023 0.000 1.047 695 K CA 1.513 57.816 56.287 0.027 0.000 0.942 695 K CB -0.111 32.362 32.500 -0.045 0.000 0.739 695 K HN 0.543 nan 8.250 nan 0.000 0.457 696 K N 0.095 120.439 120.400 -0.093 0.000 2.186 696 K HA 0.039 4.361 4.320 0.003 0.000 0.202 696 K C 1.958 178.295 176.600 -0.439 0.000 1.052 696 K CA 0.757 56.893 56.287 -0.252 0.000 0.965 696 K CB 0.106 32.435 32.500 -0.286 0.000 0.746 696 K HN 0.150 nan 8.250 nan 0.000 0.457 697 I N 1.007 121.421 120.570 -0.260 0.000 2.286 697 I HA -0.168 4.004 4.170 0.003 0.000 0.245 697 I C 1.737 177.758 176.117 -0.159 0.000 1.104 697 I CA 0.636 61.755 61.300 -0.300 0.000 1.397 697 I CB -0.184 37.692 38.000 -0.206 0.000 1.072 697 I HN 0.020 nan 8.210 nan 0.000 0.417 698 A N 0.579 123.434 122.820 0.058 0.000 2.223 698 A HA 0.251 4.573 4.320 0.003 0.000 0.222 698 A C 1.552 179.186 177.584 0.083 0.000 1.317 698 A CA 1.038 53.168 52.037 0.155 0.000 0.985 698 A CB -1.154 18.001 19.000 0.259 0.000 0.858 698 A HN 0.526 nan 8.150 nan 0.000 0.496 699 G N -1.890 106.930 108.800 0.033 0.000 2.714 699 G HA2 0.126 4.088 3.960 0.003 0.000 0.204 699 G HA3 0.126 4.088 3.960 0.003 0.000 0.204 699 G C 1.199 176.228 174.900 0.214 0.000 1.197 699 G CA 0.377 45.538 45.100 0.101 0.000 0.642 699 G HN 0.453 nan 8.290 nan 0.000 0.849 700 Y N 1.121 121.430 120.300 0.014 0.000 2.053 700 Y HA -0.197 4.355 4.550 0.003 0.000 0.277 700 Y C 2.904 178.824 175.900 0.033 0.000 1.159 700 Y CA 0.815 58.917 58.100 0.003 0.000 1.125 700 Y CB -0.348 38.081 38.460 -0.053 0.000 0.969 700 Y HN 0.046 nan 8.280 nan 0.000 0.492 701 L N -0.649 120.671 121.223 0.161 0.000 2.013 701 L HA -0.297 4.045 4.340 0.003 0.000 0.212 701 L C 2.721 179.727 176.870 0.227 0.000 1.073 701 L CA 1.606 56.513 54.840 0.111 0.000 0.753 701 L CB -0.674 41.378 42.059 -0.012 0.000 0.890 701 L HN 0.144 nan 8.230 nan 0.000 0.432 702 S N -0.865 114.949 115.700 0.191 0.000 2.447 702 S HA -0.155 4.317 4.470 0.003 0.000 0.233 702 S C 1.437 176.155 174.600 0.196 0.000 1.006 702 S CA 1.215 59.536 58.200 0.201 0.000 0.957 702 S CB -0.226 63.060 63.200 0.144 0.000 0.773 702 S HN 0.393 nan 8.310 nan 0.000 0.507 703 D N -0.410 120.100 120.400 0.183 0.000 2.213 703 D HA 0.024 4.666 4.640 0.003 0.000 0.205 703 D C 1.349 177.702 176.300 0.090 0.000 0.961 703 D CA 0.567 54.642 54.000 0.125 0.000 0.853 703 D CB -0.415 40.455 40.800 0.116 0.000 0.967 703 D HN 0.522 nan 8.370 nan 0.000 0.496 704 Y N 0.897 121.190 120.300 -0.011 0.000 2.014 704 Y HA -0.272 4.280 4.550 0.003 0.000 0.270 704 Y C 0.521 176.291 175.900 -0.216 0.000 1.145 704 Y CA 1.548 59.555 58.100 -0.156 0.000 1.106 704 Y CB -0.475 37.817 38.460 -0.280 0.000 0.968 704 Y HN -0.064 nan 8.280 nan 0.000 0.484 705 Y N 1.889 122.352 120.300 0.272 0.000 2.603 705 Y HA 0.076 4.628 4.550 0.004 0.000 0.341 705 Y C 0.144 176.072 175.900 0.047 0.000 1.272 705 Y CA -0.339 57.853 58.100 0.153 0.000 1.891 705 Y CB -0.889 37.674 38.460 0.172 0.000 1.910 705 Y HN 0.114 nan 8.280 nan 0.000 0.432 706 N N -0.169 118.555 118.700 0.041 0.000 2.443 706 N HA 0.140 4.882 4.740 0.003 0.000 0.295 706 N C 0.596 176.105 175.510 -0.001 0.000 1.076 706 N CA -0.039 53.020 53.050 0.015 0.000 0.919 706 N CB 1.763 40.220 38.487 -0.050 0.000 1.176 706 N HN 0.235 nan 8.380 nan 0.000 0.487 707 S N 1.885 117.600 115.700 0.026 0.000 2.387 707 S HA -0.056 4.416 4.470 0.003 0.000 0.226 707 S C 1.786 176.447 174.600 0.101 0.000 1.026 707 S CA 1.068 59.302 58.200 0.057 0.000 0.972 707 S CB -0.189 63.045 63.200 0.057 0.000 0.814 707 S HN 0.752 nan 8.310 nan 0.000 0.477 708 A N 2.214 125.017 122.820 -0.028 0.000 2.076 708 A HA -0.167 4.155 4.320 0.003 0.000 0.220 708 A C 1.648 178.927 177.584 -0.508 0.000 1.160 708 A CA 1.280 53.177 52.037 -0.232 0.000 0.653 708 A CB -0.961 17.878 19.000 -0.268 0.000 0.801 708 A HN 0.628 nan 8.150 nan 0.000 0.455 709 N N -0.488 117.983 118.700 -0.382 0.000 2.573 709 N HA -0.262 4.480 4.740 0.003 0.000 0.196 709 N C 1.523 176.838 175.510 -0.326 0.000 1.064 709 N CA 1.049 53.819 53.050 -0.466 0.000 0.922 709 N CB -0.240 38.111 38.487 -0.228 0.000 0.947 709 N HN 0.908 nan 8.380 nan 0.000 0.450 710 H N 0.847 119.775 119.070 -0.237 0.000 2.372 710 H HA -0.050 4.508 4.556 0.003 0.000 0.301 710 H C 2.016 177.307 175.328 -0.061 0.000 1.065 710 H CA 0.753 56.737 56.048 -0.106 0.000 1.364 710 H CB -0.790 28.936 29.762 -0.059 0.000 1.406 710 H HN 0.337 nan 8.280 nan 0.000 0.521 711 I N -1.713 118.446 120.570 -0.685 0.000 3.330 711 I HA 0.066 4.238 4.170 0.003 0.000 0.298 711 I C -0.277 176.029 176.117 0.315 0.000 1.317 711 I CA 0.596 61.747 61.300 -0.248 0.000 1.334 711 I CB -0.969 36.855 38.000 -0.292 0.000 1.031 711 I HN -0.052 nan 8.210 nan 0.000 0.547 712 F N 0.792 120.694 119.950 -0.080 0.000 2.579 712 F HA 0.456 4.985 4.527 0.004 0.000 0.324 712 F C 0.806 176.605 175.800 -0.002 0.000 1.058 712 F CA -1.487 56.492 58.000 -0.033 0.000 0.944 712 F CB 1.920 40.903 39.000 -0.029 0.000 1.245 712 F HN -0.006 nan 8.300 nan 0.000 0.477 713 S N 0.852 116.667 115.700 0.192 0.000 2.584 713 S HA 0.108 4.580 4.470 0.003 0.000 0.273 713 S C 0.623 175.293 174.600 0.116 0.000 1.311 713 S CA -0.638 57.633 58.200 0.117 0.000 1.034 713 S CB 1.831 65.071 63.200 0.067 0.000 0.939 713 S HN 0.679 nan 8.310 nan 0.000 0.513 714 Q N 1.457 121.314 119.800 0.094 0.000 2.028 714 Q HA -0.288 4.053 4.340 0.003 0.000 0.215 714 Q C 1.967 178.022 176.000 0.091 0.000 1.041 714 Q CA 2.733 58.589 55.803 0.089 0.000 0.897 714 Q CB -0.797 27.988 28.738 0.079 0.000 1.017 714 Q HN 0.998 nan 8.270 nan 0.000 0.418 715 E N -0.359 119.885 120.200 0.075 0.000 2.108 715 E HA -0.358 3.994 4.350 0.003 0.000 0.203 715 E C 1.901 178.550 176.600 0.082 0.000 1.022 715 E CA 2.012 58.453 56.400 0.068 0.000 0.823 715 E CB -0.212 29.510 29.700 0.037 0.000 0.744 715 E HN 0.247 nan 8.360 nan 0.000 0.456 716 K N 0.860 121.312 120.400 0.087 0.000 2.020 716 K HA -0.215 4.107 4.320 0.003 0.000 0.212 716 K C 2.043 178.746 176.600 0.172 0.000 1.050 716 K CA 2.120 58.477 56.287 0.116 0.000 0.929 716 K CB -0.065 32.494 32.500 0.100 0.000 0.714 716 K HN 0.017 nan 8.250 nan 0.000 0.443 717 K N 0.290 120.791 120.400 0.168 0.000 2.015 717 K HA -0.251 4.070 4.320 0.003 0.000 0.220 717 K C 2.180 178.829 176.600 0.081 0.000 1.055 717 K CA 2.444 58.800 56.287 0.115 0.000 0.951 717 K CB -0.368 32.172 32.500 0.067 0.000 0.725 717 K HN 0.248 nan 8.250 nan 0.000 0.449 718 R N 1.326 121.879 120.500 0.090 0.000 2.133 718 R HA -0.220 4.122 4.340 0.003 0.000 0.245 718 R C 2.331 178.731 176.300 0.167 0.000 1.137 718 R CA 1.846 58.009 56.100 0.105 0.000 0.947 718 R CB -0.575 29.799 30.300 0.123 0.000 0.865 718 R HN 0.244 nan 8.270 nan 0.000 0.437 719 K N 0.893 121.415 120.400 0.203 0.000 1.965 719 K HA -0.137 4.185 4.320 0.003 0.000 0.220 719 K C 2.232 179.111 176.600 0.464 0.000 1.046 719 K CA 1.660 58.148 56.287 0.335 0.000 0.974 719 K CB -0.531 32.106 32.500 0.229 0.000 0.738 719 K HN 0.148 nan 8.250 nan 0.000 0.444 720 I N 1.076 121.888 120.570 0.403 0.000 2.290 720 I HA -0.393 3.779 4.170 0.003 0.000 0.253 720 I C 1.735 177.963 176.117 0.186 0.000 1.112 720 I CA 1.691 63.188 61.300 0.328 0.000 1.377 720 I CB 0.022 38.156 38.000 0.223 0.000 1.060 720 I HN 0.118 nan 8.210 nan 0.000 0.428 721 S N 0.930 116.669 115.700 0.065 0.000 2.357 721 S HA -0.032 4.440 4.470 0.003 0.000 0.221 721 S C 1.874 176.522 174.600 0.080 0.000 1.031 721 S CA 1.462 59.562 58.200 -0.167 0.000 0.982 721 S CB -0.318 62.652 63.200 -0.383 0.000 0.853 721 S HN 0.484 nan 8.310 nan 0.000 0.458 722 I N 0.565 121.259 120.570 0.205 0.000 2.248 722 I HA -0.229 3.943 4.170 0.003 0.000 0.248 722 I C 2.111 178.313 176.117 0.143 0.000 1.107 722 I CA 1.344 62.791 61.300 0.246 0.000 1.373 722 I CB -0.276 37.968 38.000 0.407 0.000 1.055 722 I HN 0.214 nan 8.210 nan 0.000 0.418 723 F N 1.778 121.745 119.950 0.027 0.000 2.053 723 F HA -0.133 4.396 4.527 0.003 0.000 0.292 723 F C 2.701 178.448 175.800 -0.089 0.000 1.125 723 F CA 1.449 59.350 58.000 -0.165 0.000 1.193 723 F CB -0.426 38.583 39.000 0.015 0.000 0.996 723 F HN -0.147 nan 8.300 nan 0.000 0.470 724 R N 0.418 120.905 120.500 -0.021 0.000 2.153 724 R HA -0.223 4.119 4.340 0.003 0.000 0.252 724 R C 2.285 178.545 176.300 -0.067 0.000 1.158 724 R CA 1.314 57.359 56.100 -0.091 0.000 0.975 724 R CB -1.725 28.574 30.300 -0.002 0.000 0.871 724 R HN 0.526 nan 8.270 nan 0.000 0.450 725 G N 1.270 110.087 108.800 0.028 0.000 2.505 725 G HA2 -0.208 3.754 3.960 0.003 0.000 0.214 725 G HA3 -0.208 3.754 3.960 0.003 0.000 0.214 725 G C 1.560 176.391 174.900 -0.116 0.000 1.237 725 G CA 0.594 45.695 45.100 0.002 0.000 0.802 725 G HN 0.191 nan 8.290 nan 0.000 0.549 726 I N 0.575 121.037 120.570 -0.181 0.000 2.182 726 I HA -0.328 3.844 4.170 0.003 0.000 0.248 726 I C 3.030 178.940 176.117 -0.345 0.000 1.073 726 I CA 1.395 62.554 61.300 -0.234 0.000 1.335 726 I CB -0.244 37.597 38.000 -0.265 0.000 1.031 726 I HN 0.227 nan 8.210 nan 0.000 0.420 727 Q N 0.465 119.961 119.800 -0.507 0.000 1.861 727 Q HA -0.334 4.008 4.340 0.003 0.000 0.242 727 Q C 2.434 178.413 176.000 -0.035 0.000 1.025 727 Q CA 2.471 57.930 55.803 -0.573 0.000 0.886 727 Q CB -0.774 27.462 28.738 -0.837 0.000 0.969 727 Q HN 0.617 nan 8.270 nan 0.000 0.418 728 A N 0.348 123.318 122.820 0.250 0.000 1.870 728 A HA -0.299 4.023 4.320 0.003 0.000 0.219 728 A C 1.988 179.578 177.584 0.010 0.000 1.224 728 A CA 2.208 54.398 52.037 0.255 0.000 0.650 728 A CB -1.570 17.459 19.000 0.049 0.000 0.836 728 A HN 0.584 nan 8.150 nan 0.000 0.454 729 Y N 1.274 121.465 120.300 -0.182 0.000 1.938 729 Y HA -0.411 4.141 4.550 0.003 0.000 0.253 729 Y C 2.459 178.234 175.900 -0.208 0.000 1.163 729 Y CA 2.837 60.803 58.100 -0.223 0.000 1.086 729 Y CB -0.540 37.763 38.460 -0.260 0.000 0.928 729 Y HN 0.561 nan 8.280 nan 0.000 0.493 730 N N 0.441 119.187 118.700 0.077 0.000 2.090 730 N HA -0.339 4.403 4.740 0.003 0.000 0.196 730 N C 1.734 177.196 175.510 -0.081 0.000 1.017 730 N CA 2.415 55.449 53.050 -0.028 0.000 0.890 730 N CB -0.779 37.398 38.487 -0.517 0.000 1.080 730 N HN 0.559 nan 8.380 nan 0.000 0.576 731 E N 0.233 120.382 120.200 -0.086 0.000 2.301 731 E HA -0.177 4.174 4.350 0.003 0.000 0.202 731 E C 1.982 178.489 176.600 -0.153 0.000 1.017 731 E CA 0.661 57.001 56.400 -0.100 0.000 0.831 731 E CB -0.147 29.461 29.700 -0.153 0.000 0.742 731 E HN 0.512 nan 8.360 nan 0.000 0.491 732 I N 0.153 120.607 120.570 -0.193 0.000 2.206 732 I HA -0.180 3.992 4.170 0.003 0.000 0.239 732 I C 2.413 178.385 176.117 -0.242 0.000 1.078 732 I CA 0.805 61.970 61.300 -0.225 0.000 1.367 732 I CB -1.471 36.372 38.000 -0.262 0.000 1.078 732 I HN 0.044 nan 8.210 nan 0.000 0.413 733 E N 1.636 121.681 120.200 -0.258 0.000 2.136 733 E HA -0.297 4.055 4.350 0.003 0.000 0.202 733 E C 1.838 178.391 176.600 -0.078 0.000 1.019 733 E CA 2.084 58.406 56.400 -0.131 0.000 0.819 733 E CB -0.330 29.399 29.700 0.049 0.000 0.739 733 E HN 0.451 nan 8.360 nan 0.000 0.458 734 N N -0.839 117.813 118.700 -0.079 0.000 1.997 734 N HA -0.193 4.549 4.740 0.003 0.000 0.198 734 N C 1.709 177.152 175.510 -0.110 0.000 1.070 734 N CA 2.541 55.552 53.050 -0.066 0.000 0.864 734 N CB -0.537 37.910 38.487 -0.066 0.000 1.066 734 N HN 0.088 nan 8.380 nan 0.000 0.425 735 V N 0.539 120.341 119.914 -0.185 0.000 2.317 735 V HA -0.232 3.890 4.120 0.003 0.000 0.251 735 V C 2.311 178.258 176.094 -0.245 0.000 1.065 735 V CA 1.630 63.779 62.300 -0.252 0.000 1.049 735 V CB -0.775 30.772 31.823 -0.460 0.000 0.651 735 V HN 0.420 nan 8.190 nan 0.000 0.450 736 L N -0.085 120.984 121.223 -0.258 0.000 2.351 736 L HA -0.148 4.194 4.340 0.003 0.000 0.220 736 L C 1.906 178.734 176.870 -0.069 0.000 1.127 736 L CA 1.870 56.620 54.840 -0.150 0.000 0.786 736 L CB -0.520 41.477 42.059 -0.104 0.000 0.914 736 L HN 0.247 nan 8.230 nan 0.000 0.443 737 K N -1.533 118.827 120.400 -0.066 0.000 2.455 737 K HA 0.236 4.558 4.320 0.003 0.000 0.206 737 K C 0.910 177.492 176.600 -0.030 0.000 1.027 737 K CA 0.017 56.287 56.287 -0.029 0.000 1.113 737 K CB 0.685 33.179 32.500 -0.010 0.000 0.850 737 K HN 0.198 nan 8.250 nan 0.000 0.503 738 S N 0.941 116.610 115.700 -0.052 0.000 2.307 738 S HA 0.199 4.671 4.470 0.003 0.000 0.252 738 S C 0.694 175.280 174.600 -0.023 0.000 1.204 738 S CA -0.173 58.003 58.200 -0.039 0.000 1.018 738 S CB 0.817 63.982 63.200 -0.059 0.000 1.077 738 S HN 0.138 nan 8.310 nan 0.000 0.454 739 K N 0.052 120.441 120.400 -0.018 0.000 2.679 739 K HA 0.194 4.516 4.320 0.003 0.000 0.280 739 K C -0.529 176.064 176.600 -0.011 0.000 1.040 739 K CA -0.360 55.921 56.287 -0.009 0.000 1.002 739 K CB -0.024 32.474 32.500 -0.003 0.000 1.276 739 K HN 0.334 nan 8.250 nan 0.000 0.492 740 Q N 2.069 121.864 119.800 -0.008 0.000 2.409 740 Q HA 0.142 4.484 4.340 0.003 0.000 0.240 740 Q C -0.440 175.548 176.000 -0.019 0.000 1.226 740 Q CA 0.329 56.128 55.803 -0.007 0.000 0.895 740 Q CB -0.833 27.902 28.738 -0.005 0.000 1.491 740 Q HN 0.368 nan 8.270 nan 0.000 0.509 741 I N -1.356 119.205 120.570 -0.015 0.000 2.315 741 I HA 0.571 4.743 4.170 0.003 0.000 0.291 741 I C 0.372 176.487 176.117 -0.003 0.000 1.006 741 I CA -1.300 59.979 61.300 -0.035 0.000 1.265 741 I CB 1.100 39.098 38.000 -0.003 0.000 1.387 741 I HN 0.323 nan 8.210 nan 0.000 0.475 742 A N 8.777 131.556 122.820 -0.067 0.000 2.622 742 A HA -0.004 4.318 4.320 0.003 0.000 0.236 742 A C -0.980 176.673 177.584 0.115 0.000 1.003 742 A CA -0.338 51.700 52.037 0.001 0.000 0.781 742 A CB -0.605 18.368 19.000 -0.044 0.000 0.902 742 A HN 0.812 nan 8.150 nan 0.000 0.496 743 P HA -0.199 nan 4.420 nan 0.000 0.226 743 P C 0.820 178.217 177.300 0.161 0.000 1.146 743 P CA 1.564 64.736 63.100 0.119 0.000 0.773 743 P CB 0.154 31.899 31.700 0.075 0.000 0.772 744 E N -0.454 119.870 120.200 0.206 0.000 2.051 744 E HA -0.164 4.188 4.350 0.003 0.000 0.189 744 E C 1.919 178.675 176.600 0.260 0.000 0.979 744 E CA 1.126 57.642 56.400 0.193 0.000 0.803 744 E CB -1.348 28.455 29.700 0.172 0.000 0.761 744 E HN 0.270 nan 8.360 nan 0.000 0.451 745 Y N 2.054 122.441 120.300 0.145 0.000 2.352 745 Y HA -0.037 4.515 4.550 0.003 0.000 0.292 745 Y C 2.482 178.631 175.900 0.416 0.000 1.136 745 Y CA 0.645 58.915 58.100 0.283 0.000 1.227 745 Y CB -0.364 38.304 38.460 0.346 0.000 0.991 745 Y HN -0.004 nan 8.280 nan 0.000 0.545 746 K N 1.091 121.755 120.400 0.440 0.000 2.001 746 K HA -0.256 4.066 4.320 0.003 0.000 0.214 746 K C 1.465 178.235 176.600 0.284 0.000 1.050 746 K CA 2.134 58.608 56.287 0.311 0.000 0.934 746 K CB -0.625 31.988 32.500 0.189 0.000 0.718 746 K HN 0.504 nan 8.250 nan 0.000 0.443 747 N N -0.554 118.282 118.700 0.227 0.000 2.007 747 N HA -0.251 4.491 4.740 0.003 0.000 0.197 747 N C 1.970 177.624 175.510 0.240 0.000 1.050 747 N CA 1.718 54.880 53.050 0.186 0.000 0.856 747 N CB -0.502 38.064 38.487 0.132 0.000 1.050 747 N HN 0.208 nan 8.380 nan 0.000 0.423 748 Y N 1.589 121.947 120.300 0.096 0.000 1.938 748 Y HA -0.345 4.207 4.550 0.005 0.000 0.253 748 Y C 2.079 178.021 175.900 0.070 0.000 1.163 748 Y CA 1.683 59.819 58.100 0.061 0.000 1.086 748 Y CB -1.114 37.257 38.460 -0.149 0.000 0.928 748 Y HN 0.013 nan 8.280 nan 0.000 0.493 749 F N 0.580 120.527 119.950 -0.005 0.000 2.214 749 F HA -0.352 4.178 4.527 0.004 0.000 0.302 749 F C 2.518 178.210 175.800 -0.179 0.000 1.063 749 F CA 2.101 60.002 58.000 -0.164 0.000 1.319 749 F CB -0.601 38.407 39.000 0.013 0.000 1.046 749 F HN 0.299 nan 8.300 nan 0.000 0.505 750 Q N -1.277 118.591 119.800 0.113 0.000 2.049 750 Q HA -0.203 4.139 4.340 0.003 0.000 0.198 750 Q C 2.224 178.238 176.000 0.023 0.000 0.971 750 Q CA 1.565 57.403 55.803 0.059 0.000 0.833 750 Q CB -1.073 27.728 28.738 0.105 0.000 0.896 750 Q HN 0.615 nan 8.270 nan 0.000 0.434 751 Y N 0.766 121.023 120.300 -0.072 0.000 2.293 751 Y HA -0.059 4.493 4.550 0.003 0.000 0.291 751 Y C 1.738 177.535 175.900 -0.172 0.000 1.137 751 Y CA 0.735 58.785 58.100 -0.082 0.000 1.202 751 Y CB -0.361 38.079 38.460 -0.033 0.000 0.990 751 Y HN 0.008 nan 8.280 nan 0.000 0.537 752 L N 0.352 121.250 121.223 -0.542 0.000 2.633 752 L HA -0.108 4.234 4.340 0.003 0.000 0.235 752 L C 1.680 178.255 176.870 -0.492 0.000 1.163 752 L CA 1.056 55.457 54.840 -0.731 0.000 0.859 752 L CB -0.209 41.318 42.059 -0.886 0.000 0.973 752 L HN 0.330 nan 8.230 nan 0.000 0.451 753 K N -0.609 119.582 120.400 -0.349 0.000 2.216 753 K HA -0.102 4.220 4.320 0.003 0.000 0.207 753 K C 1.675 178.180 176.600 -0.159 0.000 1.041 753 K CA 0.371 56.490 56.287 -0.279 0.000 0.966 753 K CB 0.115 32.460 32.500 -0.258 0.000 0.955 753 K HN -0.045 nan 8.250 nan 0.000 0.468 754 E N 1.755 121.887 120.200 -0.112 0.000 2.172 754 E HA -0.282 4.070 4.350 0.003 0.000 0.213 754 E C 1.863 178.376 176.600 -0.145 0.000 1.051 754 E CA 1.806 58.170 56.400 -0.060 0.000 0.860 754 E CB 0.094 29.812 29.700 0.029 0.000 0.755 754 E HN 0.122 nan 8.360 nan 0.000 0.462 755 R N -0.199 120.147 120.500 -0.255 0.000 2.082 755 R HA -0.131 4.211 4.340 0.003 0.000 0.228 755 R C 2.474 178.615 176.300 -0.265 0.000 1.140 755 R CA 1.651 57.593 56.100 -0.264 0.000 0.920 755 R CB -0.754 29.324 30.300 -0.369 0.000 0.828 755 R HN 0.292 nan 8.270 nan 0.000 0.430 756 I N 1.098 121.493 120.570 -0.290 0.000 2.121 756 I HA -0.372 3.800 4.170 0.003 0.000 0.243 756 I C 2.294 178.155 176.117 -0.428 0.000 1.047 756 I CA 1.922 63.047 61.300 -0.291 0.000 1.308 756 I CB -1.828 36.075 38.000 -0.161 0.000 1.015 756 I HN 0.290 nan 8.210 nan 0.000 0.410 757 T N 1.929 116.175 114.554 -0.512 0.000 2.486 757 T HA -0.218 4.134 4.350 0.003 0.000 0.257 757 T C 1.745 176.146 174.700 -0.499 0.000 1.175 757 T CA 1.983 63.544 62.100 -0.897 0.000 1.207 757 T CB -0.519 68.079 68.868 -0.450 0.000 0.864 757 T HN 0.313 nan 8.240 nan 0.000 0.405 758 N N 0.872 119.419 118.700 -0.256 0.000 2.069 758 N HA -0.205 4.537 4.740 0.003 0.000 0.196 758 N C 2.028 177.459 175.510 -0.132 0.000 1.024 758 N CA 1.848 54.816 53.050 -0.138 0.000 0.869 758 N CB -0.574 37.864 38.487 -0.082 0.000 1.035 758 N HN 0.481 nan 8.380 nan 0.000 0.434 759 Q N 1.041 120.739 119.800 -0.170 0.000 2.030 759 Q HA -0.069 4.273 4.340 0.003 0.000 0.204 759 Q C 1.950 177.897 176.000 -0.089 0.000 0.986 759 Q CA 1.625 57.351 55.803 -0.128 0.000 0.843 759 Q CB -0.280 28.351 28.738 -0.179 0.000 0.904 759 Q HN 0.174 nan 8.270 nan 0.000 0.420 760 V N 0.669 120.494 119.914 -0.149 0.000 2.490 760 V HA -0.257 3.865 4.120 0.003 0.000 0.250 760 V C 2.377 178.481 176.094 0.017 0.000 1.061 760 V CA 1.901 64.171 62.300 -0.050 0.000 1.064 760 V CB -0.830 30.938 31.823 -0.092 0.000 0.670 760 V HN 0.417 nan 8.190 nan 0.000 0.461 761 Q N 0.051 119.834 119.800 -0.029 0.000 2.061 761 Q HA -0.231 4.111 4.340 0.003 0.000 0.204 761 Q C 2.010 178.049 176.000 0.066 0.000 0.984 761 Q CA 2.125 57.955 55.803 0.046 0.000 0.846 761 Q CB -0.634 28.120 28.738 0.027 0.000 0.902 761 Q HN 0.556 nan 8.270 nan 0.000 0.421 762 L N -0.108 121.137 121.223 0.036 0.000 1.944 762 L HA -0.190 4.151 4.340 0.003 0.000 0.218 762 L C 2.031 178.950 176.870 0.082 0.000 1.075 762 L CA 1.927 56.797 54.840 0.050 0.000 0.767 762 L CB -0.892 41.163 42.059 -0.008 0.000 0.890 762 L HN 0.413 nan 8.230 nan 0.000 0.434 763 L N -1.173 120.086 121.223 0.059 0.000 2.270 763 L HA -0.284 4.058 4.340 0.003 0.000 0.217 763 L C 2.391 179.356 176.870 0.159 0.000 1.107 763 L CA 1.206 56.105 54.840 0.099 0.000 0.772 763 L CB -0.563 41.565 42.059 0.114 0.000 0.902 763 L HN 0.445 nan 8.230 nan 0.000 0.439 764 L N -0.785 120.529 121.223 0.152 0.000 2.117 764 L HA -0.094 4.248 4.340 0.003 0.000 0.200 764 L C 2.487 179.441 176.870 0.140 0.000 1.110 764 L CA 1.464 56.394 54.840 0.151 0.000 0.774 764 L CB -0.742 41.408 42.059 0.152 0.000 0.934 764 L HN 0.289 nan 8.230 nan 0.000 0.456 765 T N -3.832 110.801 114.554 0.131 0.000 3.309 765 T HA -0.227 4.125 4.350 0.003 0.000 0.265 765 T C 1.272 176.051 174.700 0.132 0.000 1.194 765 T CA 1.086 63.252 62.100 0.110 0.000 1.037 765 T CB -0.609 68.317 68.868 0.096 0.000 0.917 765 T HN 0.306 nan 8.240 nan 0.000 0.558 766 H N -0.422 118.677 119.070 0.048 0.000 2.562 766 H HA 0.291 4.849 4.556 0.004 0.000 0.267 766 H C 2.117 177.467 175.328 0.037 0.000 0.959 766 H CA 1.135 57.209 56.048 0.043 0.000 1.204 766 H CB 0.440 30.233 29.762 0.050 0.000 1.430 766 H HN 0.625 nan 8.280 nan 0.000 0.545 767 Q N -0.617 119.229 119.800 0.077 0.000 2.361 767 Q HA 0.118 4.459 4.340 0.003 0.000 0.182 767 Q C -0.564 175.445 176.000 0.014 0.000 0.650 767 Q CA -0.189 55.634 55.803 0.033 0.000 0.842 767 Q CB 0.991 29.764 28.738 0.058 0.000 1.211 767 Q HN 0.005 nan 8.270 nan 0.000 0.502 768 K N 2.007 122.422 120.400 0.025 0.000 2.530 768 K HA 0.329 4.651 4.320 0.003 0.000 0.230 768 K C -1.215 175.403 176.600 0.030 0.000 1.002 768 K CA -0.137 56.157 56.287 0.012 0.000 1.014 768 K CB 1.566 34.061 32.500 -0.008 0.000 1.286 768 K HN 0.050 nan 8.250 nan 0.000 0.480 769 S N 2.660 118.378 115.700 0.031 0.000 3.158 769 S HA 0.203 4.675 4.470 0.003 0.000 0.215 769 S C 0.431 175.053 174.600 0.036 0.000 1.359 769 S CA -0.397 57.829 58.200 0.044 0.000 0.974 769 S CB -0.438 62.792 63.200 0.049 0.000 1.336 769 S HN 0.633 nan 8.310 nan 0.000 0.488 770 N N 2.816 121.537 118.700 0.034 0.000 2.529 770 N HA 0.208 4.950 4.740 0.003 0.000 0.231 770 N C -0.076 175.456 175.510 0.037 0.000 1.072 770 N CA -0.158 52.909 53.050 0.028 0.000 0.854 770 N CB 0.260 38.756 38.487 0.015 0.000 1.465 770 N HN 0.405 nan 8.380 nan 0.000 0.452 771 I N 2.531 123.127 120.570 0.044 0.000 2.634 771 I HA 0.119 4.291 4.170 0.003 0.000 0.284 771 I C 0.185 176.349 176.117 0.080 0.000 1.124 771 I CA 0.436 61.770 61.300 0.056 0.000 1.417 771 I CB 0.516 38.556 38.000 0.067 0.000 1.396 771 I HN 0.148 nan 8.210 nan 0.000 0.571 772 E N 3.111 123.358 120.200 0.078 0.000 2.221 772 E HA 0.192 4.544 4.350 0.003 0.000 0.268 772 E C 0.259 176.934 176.600 0.126 0.000 0.933 772 E CA -0.643 55.820 56.400 0.105 0.000 0.809 772 E CB 1.619 31.369 29.700 0.082 0.000 1.190 772 E HN 0.461 nan 8.360 nan 0.000 0.406 773 F N 2.904 122.869 119.950 0.025 0.000 2.091 773 F HA -0.265 4.264 4.527 0.004 0.000 0.299 773 F C 2.203 178.006 175.800 0.004 0.000 1.103 773 F CA 2.054 60.047 58.000 -0.012 0.000 1.228 773 F CB -0.065 38.888 39.000 -0.079 0.000 0.984 773 F HN 0.454 nan 8.300 nan 0.000 0.477 774 K N 0.378 120.683 120.400 -0.157 0.000 2.015 774 K HA -0.248 4.074 4.320 0.003 0.000 0.220 774 K C 2.138 178.637 176.600 -0.169 0.000 1.055 774 K CA 2.463 58.632 56.287 -0.197 0.000 0.951 774 K CB -0.667 31.829 32.500 -0.007 0.000 0.725 774 K HN 0.403 nan 8.250 nan 0.000 0.449 775 L N 0.742 121.925 121.223 -0.067 0.000 1.929 775 L HA -0.280 4.062 4.340 0.003 0.000 0.229 775 L C 2.522 179.374 176.870 -0.030 0.000 1.086 775 L CA 1.640 56.461 54.840 -0.032 0.000 0.798 775 L CB -0.757 41.304 42.059 0.003 0.000 0.898 775 L HN 0.409 nan 8.230 nan 0.000 0.436 776 L N -1.444 119.785 121.223 0.010 0.000 2.232 776 L HA -0.371 3.971 4.340 0.003 0.000 0.219 776 L C 2.577 179.507 176.870 0.101 0.000 1.086 776 L CA 1.629 56.521 54.840 0.087 0.000 0.789 776 L CB -0.371 41.791 42.059 0.172 0.000 0.890 776 L HN 0.353 nan 8.230 nan 0.000 0.441 777 Y N 0.514 120.671 120.300 -0.239 0.000 2.130 777 Y HA -0.219 4.333 4.550 0.003 0.000 0.287 777 Y C 2.560 178.416 175.900 -0.074 0.000 1.124 777 Y CA 1.489 59.444 58.100 -0.242 0.000 1.118 777 Y CB -0.380 37.718 38.460 -0.603 0.000 0.994 777 Y HN 0.054 nan 8.280 nan 0.000 0.497 778 K N 0.628 120.945 120.400 -0.139 0.000 2.052 778 K HA -0.285 4.037 4.320 0.003 0.000 0.215 778 K C 1.822 178.353 176.600 -0.114 0.000 1.053 778 K CA 2.233 58.414 56.287 -0.177 0.000 0.934 778 K CB -0.772 31.672 32.500 -0.093 0.000 0.717 778 K HN 0.588 nan 8.250 nan 0.000 0.450 779 Q N 0.337 120.112 119.800 -0.042 0.000 2.576 779 Q HA -0.110 4.232 4.340 0.003 0.000 0.218 779 Q C -0.143 175.847 176.000 -0.016 0.000 0.983 779 Q CA 0.314 56.108 55.803 -0.015 0.000 0.920 779 Q CB -0.089 28.660 28.738 0.019 0.000 0.973 779 Q HN 0.030 nan 8.270 nan 0.000 0.528 780 L N 0.140 121.344 121.223 -0.032 0.000 2.375 780 L HA 0.247 4.588 4.340 0.003 0.000 0.268 780 L C 0.089 176.860 176.870 -0.165 0.000 1.058 780 L CA -0.253 54.531 54.840 -0.094 0.000 0.803 780 L CB 0.977 43.010 42.059 -0.043 0.000 1.212 780 L HN -0.016 nan 8.230 nan 0.000 0.451 781 N N 0.998 119.535 118.700 -0.271 0.000 2.776 781 N HA 0.279 5.021 4.740 0.003 0.000 0.245 781 N C -0.976 174.401 175.510 -0.222 0.000 1.121 781 N CA -0.241 52.707 53.050 -0.170 0.000 0.852 781 N CB 0.320 38.747 38.487 -0.101 0.000 1.142 781 N HN 0.393 nan 8.380 nan 0.000 0.514 782 F N 1.761 121.739 119.950 0.047 0.000 2.894 782 F HA 0.210 4.739 4.527 0.004 0.000 0.310 782 F C 1.561 177.399 175.800 0.063 0.000 1.204 782 F CA -0.231 57.816 58.000 0.078 0.000 1.290 782 F CB 0.482 39.543 39.000 0.100 0.000 1.317 782 F HN 0.349 nan 8.300 nan 0.000 0.545 783 T N -0.205 114.434 114.554 0.142 0.000 3.139 783 T HA -0.076 4.276 4.350 0.003 0.000 0.226 783 T C 1.796 176.559 174.700 0.105 0.000 1.010 783 T CA 1.275 63.439 62.100 0.106 0.000 1.487 783 T CB -0.008 68.895 68.868 0.059 0.000 1.204 783 T HN 0.519 nan 8.240 nan 0.000 0.437 784 E N 1.193 121.440 120.200 0.077 0.000 2.367 784 E HA 0.078 4.430 4.350 0.003 0.000 0.204 784 E C 0.059 176.704 176.600 0.074 0.000 0.840 784 E CA -0.284 56.161 56.400 0.075 0.000 1.051 784 E CB -0.186 29.547 29.700 0.055 0.000 1.051 784 E HN 0.471 nan 8.360 nan 0.000 0.509 785 N N 0.986 119.718 118.700 0.054 0.000 2.434 785 N HA 0.115 4.857 4.740 0.003 0.000 0.272 785 N C 0.078 175.615 175.510 0.046 0.000 1.040 785 N CA -0.432 52.645 53.050 0.045 0.000 0.956 785 N CB 1.858 40.359 38.487 0.024 0.000 1.108 785 N HN 0.065 nan 8.380 nan 0.000 0.481 786 E N 1.522 121.763 120.200 0.069 0.000 2.330 786 E HA -0.056 4.296 4.350 0.003 0.000 0.200 786 E C 1.270 177.913 176.600 0.072 0.000 0.922 786 E CA 0.877 57.333 56.400 0.094 0.000 0.935 786 E CB -0.169 29.625 29.700 0.156 0.000 0.917 786 E HN 0.774 nan 8.360 nan 0.000 0.491 787 T N 0.681 115.266 114.554 0.053 0.000 2.427 787 T HA -0.353 3.999 4.350 0.003 0.000 0.244 787 T C 1.702 176.421 174.700 0.032 0.000 1.325 787 T CA 2.055 64.178 62.100 0.038 0.000 1.173 787 T CB -1.239 67.645 68.868 0.027 0.000 0.859 787 T HN 0.391 nan 8.240 nan 0.000 0.415 788 D N 1.242 121.649 120.400 0.012 0.000 2.310 788 D HA -0.134 4.508 4.640 0.003 0.000 0.212 788 D C 2.005 178.294 176.300 -0.017 0.000 0.965 788 D CA 0.875 54.870 54.000 -0.008 0.000 0.879 788 D CB -0.790 40.000 40.800 -0.017 0.000 0.921 788 D HN 0.399 nan 8.370 nan 0.000 0.510 789 N N 0.223 118.917 118.700 -0.010 0.000 2.061 789 N HA -0.214 4.528 4.740 0.003 0.000 0.193 789 N C 1.507 177.017 175.510 0.001 0.000 1.030 789 N CA 0.885 53.920 53.050 -0.026 0.000 0.856 789 N CB -0.597 37.859 38.487 -0.052 0.000 1.023 789 N HN 0.226 nan 8.380 nan 0.000 0.424 790 F N 2.018 121.811 119.950 -0.261 0.000 2.098 790 F HA -0.005 4.524 4.527 0.003 0.000 0.294 790 F C 2.310 177.998 175.800 -0.186 0.000 1.107 790 F CA 1.249 58.964 58.000 -0.474 0.000 1.234 790 F CB -0.579 38.026 39.000 -0.660 0.000 1.002 790 F HN 0.076 nan 8.300 nan 0.000 0.472 791 E N -0.294 119.819 120.200 -0.144 0.000 2.169 791 E HA -0.253 4.099 4.350 0.003 0.000 0.202 791 E C 2.246 178.709 176.600 -0.228 0.000 1.016 791 E CA 1.772 58.054 56.400 -0.197 0.000 0.817 791 E CB -0.453 29.198 29.700 -0.083 0.000 0.736 791 E HN 0.301 nan 8.360 nan 0.000 0.462 792 V N 1.045 120.872 119.914 -0.144 0.000 2.216 792 V HA -0.260 3.862 4.120 0.003 0.000 0.242 792 V C 1.961 177.983 176.094 -0.120 0.000 1.042 792 V CA 1.957 64.197 62.300 -0.100 0.000 0.991 792 V CB -0.751 31.050 31.823 -0.036 0.000 0.633 792 V HN 0.273 nan 8.190 nan 0.000 0.449 793 F N 1.081 120.910 119.950 -0.203 0.000 2.094 793 F HA -0.359 4.170 4.527 0.003 0.000 0.296 793 F C 2.520 178.170 175.800 -0.251 0.000 1.070 793 F CA 2.555 60.461 58.000 -0.156 0.000 1.255 793 F CB -0.727 38.227 39.000 -0.077 0.000 1.000 793 F HN 0.277 nan 8.300 nan 0.000 0.490 794 Q N 1.095 120.470 119.800 -0.708 0.000 1.895 794 Q HA -0.297 4.045 4.340 0.003 0.000 0.217 794 Q C 2.306 178.014 176.000 -0.486 0.000 1.003 794 Q CA 2.542 57.904 55.803 -0.734 0.000 0.871 794 Q CB -0.653 27.729 28.738 -0.594 0.000 0.941 794 Q HN 0.543 nan 8.270 nan 0.000 0.421 795 K N 0.066 120.274 120.400 -0.320 0.000 2.144 795 K HA -0.181 4.141 4.320 0.003 0.000 0.209 795 K C 2.122 178.603 176.600 -0.199 0.000 1.047 795 K CA 1.652 57.810 56.287 -0.215 0.000 0.927 795 K CB -0.353 32.056 32.500 -0.153 0.000 0.716 795 K HN 0.384 nan 8.250 nan 0.000 0.454 796 I N 1.199 121.643 120.570 -0.210 0.000 2.502 796 I HA -0.229 3.943 4.170 0.003 0.000 0.258 796 I C 2.106 178.125 176.117 -0.163 0.000 1.172 796 I CA 1.466 62.682 61.300 -0.140 0.000 1.430 796 I CB -0.970 36.999 38.000 -0.053 0.000 1.086 796 I HN 0.291 nan 8.210 nan 0.000 0.440 797 I N -2.842 117.559 120.570 -0.282 0.000 3.941 797 I HA 0.306 4.478 4.170 0.003 0.000 0.335 797 I C -0.055 175.962 176.117 -0.166 0.000 1.402 797 I CA -0.237 60.929 61.300 -0.224 0.000 1.112 797 I CB 0.098 37.898 38.000 -0.334 0.000 1.043 797 I HN -0.135 nan 8.210 nan 0.000 0.395 798 D N 0.000 120.305 120.400 -0.158 0.000 6.856 798 D HA 0.000 4.642 4.640 0.003 0.000 0.175 798 D CA 0.000 53.929 54.000 -0.119 0.000 0.868 798 D CB 0.000 40.720 40.800 -0.133 0.000 0.688 798 D HN 0.000 nan 8.370 nan 0.000 0.683