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 3gq8_1_A DATA FIRST_RESID 88 DATA SEQUENCE HFADLVIQVI DELKQFGVSV KTYGAKGDGV TDDIRAFEKA IESGFPVYVP DATA SEQUENCE YGTFMVSRGI KLPSNTVLTG AGKRNAVIRF MDSVGRGESL MYNENVTTGN DATA SEQUENCE ENIFLSSFTL DGNNKRLGQG ISGIGGSRES NLSIRACHNV YIRDIEAVDC DATA SEQUENCE TLHGIDITCG GLDYPYLGDG TTAPNPSENI WIENCEATGF GDDGITTHHS DATA SEQUENCE QYINILNCYS HDPRLTANCN GFEIDDGSRH VVLSNNRSKG CYGGIEIKAH DATA SEQUENCE GDAPAAYNIS INGHMSVEDV RSYNFRHIGH HAATAPQSVS AKNIVASNLV DATA SEQUENCE SIRPNNKRGF QDNATPRVLA VSAYYGVVIN GLTGYTDDPN LLTETVVSVQ DATA SEQUENCE FRARNCSLNG VVLTGFSNSE NGIYVIGGSR GGDAVNISNV TLNNSGRYGV DATA SEQUENCE SIGSGIENVS ITNISGIGDG INSPVALVST INSNPEISGL SSIGYPTVAR DATA SEQUENCE VAGTDYNDGL TLFNGAFRAS TTSSGKIHSE GFIMGSTSGC EASVSKSGVL DATA SEQUENCE TSSSSKTSSE RSLIAGSSTS EAKGTYNTIL GSLGAVADEQ FAALISASQS DATA SEQUENCE RASGNHNLIL SSYGINTTGS YKVNGGFEKI NWELDSLNGR IKARDTVTGG DATA SEQUENCE NTWS 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 88 H HA 0.000 nan 4.556 nan 0.000 0.296 88 H C 0.000 175.382 175.328 0.090 0.000 0.993 88 H CA 0.000 56.087 56.048 0.065 0.000 1.023 88 H CB 0.000 29.795 29.762 0.055 0.000 1.292 89 F N 2.970 122.970 119.950 0.082 0.000 2.128 89 F HA 0.160 4.687 4.527 0.000 0.000 0.295 89 F C 2.386 178.205 175.800 0.031 0.000 1.100 89 F CA 1.849 59.878 58.000 0.049 0.000 1.260 89 F CB -0.223 38.795 39.000 0.030 0.000 1.009 89 F HN 0.057 nan 8.300 nan 0.000 0.476 90 A N 0.213 122.968 122.820 -0.108 0.000 1.933 90 A HA -0.202 4.118 4.320 0.000 0.000 0.218 90 A C 1.865 179.338 177.584 -0.184 0.000 1.175 90 A CA 2.071 53.983 52.037 -0.209 0.000 0.628 90 A CB -1.100 17.890 19.000 -0.017 0.000 0.814 90 A HN 0.471 nan 8.150 nan 0.000 0.444 91 D N -0.113 120.237 120.400 -0.084 0.000 2.178 91 D HA -0.089 4.551 4.640 0.000 0.000 0.201 91 D C 1.874 178.123 176.300 -0.085 0.000 0.980 91 D CA 0.743 54.713 54.000 -0.050 0.000 0.842 91 D CB -0.246 40.571 40.800 0.028 0.000 0.948 91 D HN 0.446 nan 8.370 nan 0.000 0.472 92 L N 0.019 121.170 121.223 -0.119 0.000 2.056 92 L HA -0.124 4.216 4.340 0.000 0.000 0.207 92 L C 2.390 179.145 176.870 -0.191 0.000 1.078 92 L CA 0.597 55.359 54.840 -0.129 0.000 0.749 92 L CB -0.306 41.695 42.059 -0.097 0.000 0.901 92 L HN -0.020 nan 8.230 nan 0.000 0.433 93 V N 0.411 120.122 119.914 -0.338 0.000 2.255 93 V HA -0.326 3.794 4.120 0.000 0.000 0.247 93 V C 2.351 178.346 176.094 -0.164 0.000 1.051 93 V CA 1.977 64.099 62.300 -0.297 0.000 1.018 93 V CB -0.359 31.199 31.823 -0.442 0.000 0.641 93 V HN 0.305 nan 8.190 nan 0.000 0.445 94 I N -0.426 120.058 120.570 -0.143 0.000 2.194 94 I HA -0.374 3.796 4.170 0.000 0.000 0.246 94 I C 2.715 178.786 176.117 -0.076 0.000 1.093 94 I CA 1.811 63.061 61.300 -0.083 0.000 1.355 94 I CB -0.452 37.510 38.000 -0.063 0.000 1.046 94 I HN 0.385 nan 8.210 nan 0.000 0.413 95 Q N -0.057 119.693 119.800 -0.085 0.000 2.135 95 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 95 Q C 2.403 178.358 176.000 -0.075 0.000 0.981 95 Q CA 1.739 57.494 55.803 -0.079 0.000 0.856 95 Q CB -0.130 28.565 28.738 -0.072 0.000 0.902 95 Q HN 0.416 nan 8.270 nan 0.000 0.425 96 V N 0.683 120.551 119.914 -0.076 0.000 2.358 96 V HA -0.261 3.859 4.120 0.000 0.000 0.246 96 V C 2.079 178.138 176.094 -0.058 0.000 1.047 96 V CA 1.577 63.838 62.300 -0.064 0.000 1.035 96 V CB -0.435 31.349 31.823 -0.064 0.000 0.658 96 V HN 0.336 nan 8.190 nan 0.000 0.452 97 I N 0.233 120.770 120.570 -0.054 0.000 2.179 97 I HA -0.239 3.931 4.170 0.000 0.000 0.242 97 I C 2.310 178.407 176.117 -0.033 0.000 1.088 97 I CA 1.697 62.976 61.300 -0.034 0.000 1.357 97 I CB -0.597 37.395 38.000 -0.013 0.000 1.051 97 I HN 0.287 nan 8.210 nan 0.000 0.409 98 D N 0.826 121.199 120.400 -0.046 0.000 2.133 98 D HA -0.222 4.418 4.640 0.000 0.000 0.195 98 D C 2.081 178.325 176.300 -0.094 0.000 0.997 98 D CA 1.322 55.283 54.000 -0.065 0.000 0.840 98 D CB -0.324 40.417 40.800 -0.098 0.000 0.947 98 D HN 0.412 nan 8.370 nan 0.000 0.452 99 E N -0.164 119.981 120.200 -0.091 0.000 2.204 99 E HA -0.072 4.278 4.350 0.000 0.000 0.194 99 E C 2.209 178.758 176.600 -0.086 0.000 0.989 99 E CA 0.094 56.437 56.400 -0.095 0.000 0.824 99 E CB -0.016 29.640 29.700 -0.073 0.000 0.756 99 E HN 0.294 nan 8.360 nan 0.000 0.477 100 L N 0.501 121.681 121.223 -0.072 0.000 2.201 100 L HA -0.109 4.231 4.340 0.000 0.000 0.212 100 L C 0.587 177.407 176.870 -0.084 0.000 1.105 100 L CA 0.718 55.515 54.840 -0.072 0.000 0.775 100 L CB -0.135 41.883 42.059 -0.068 0.000 0.913 100 L HN 0.054 nan 8.230 nan 0.000 0.440 101 K N 0.399 120.749 120.400 -0.083 0.000 3.278 101 K HA -0.268 4.052 4.320 0.000 0.000 0.270 101 K C 0.963 177.510 176.600 -0.089 0.000 0.955 101 K CA 0.114 56.352 56.287 -0.082 0.000 0.723 101 K CB -0.926 31.497 32.500 -0.129 0.000 1.382 101 K HN 0.461 nan 8.250 nan 0.000 0.461 102 Q N -0.769 118.949 119.800 -0.136 0.000 2.167 102 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 102 Q C 1.018 176.736 176.000 -0.471 0.000 0.970 102 Q CA 1.428 57.026 55.803 -0.341 0.000 0.855 102 Q CB 0.036 28.473 28.738 -0.501 0.000 0.911 102 Q HN 0.543 nan 8.270 nan 0.000 0.438 103 F N -1.144 118.678 119.950 -0.213 0.000 2.704 103 F HA 0.317 4.844 4.527 0.000 0.000 0.304 103 F C 1.261 176.996 175.800 -0.109 0.000 1.094 103 F CA 0.345 58.172 58.000 -0.288 0.000 1.275 103 F CB 1.043 39.599 39.000 -0.741 0.000 1.073 103 F HN 0.100 nan 8.300 nan 0.000 0.586 104 G N 0.490 109.351 108.800 0.102 0.000 2.395 104 G HA2 0.012 3.972 3.960 0.000 0.000 0.201 104 G HA3 0.012 3.972 3.960 0.000 0.000 0.201 104 G C -1.116 173.825 174.900 0.068 0.000 1.206 104 G CA -0.568 44.600 45.100 0.114 0.000 1.210 104 G HN 0.490 nan 8.290 nan 0.000 0.557 105 V N -1.454 118.515 119.914 0.091 0.000 2.435 105 V HA 0.830 4.950 4.120 0.000 0.000 0.290 105 V C 0.590 176.763 176.094 0.131 0.000 1.030 105 V CA 0.365 62.709 62.300 0.073 0.000 0.881 105 V CB 1.142 33.023 31.823 0.097 0.000 0.983 105 V HN 1.968 nan 8.190 nan 0.000 0.445 106 S N 3.094 118.871 115.700 0.129 0.000 2.580 106 S HA 0.285 4.755 4.470 0.000 0.000 0.274 106 S C 1.227 175.832 174.600 0.008 0.000 1.329 106 S CA -0.109 58.138 58.200 0.079 0.000 1.036 106 S CB 1.442 64.705 63.200 0.105 0.000 0.919 106 S HN 1.796 nan 8.310 nan 0.000 0.515 107 V N 3.507 123.289 119.914 -0.220 0.000 2.594 107 V HA -0.071 4.049 4.120 0.000 0.000 0.253 107 V C 2.103 178.138 176.094 -0.099 0.000 1.069 107 V CA 1.452 63.550 62.300 -0.337 0.000 1.082 107 V CB -0.943 30.288 31.823 -0.986 0.000 0.680 107 V HN 0.867 nan 8.190 nan 0.000 0.469 108 K N 0.587 120.966 120.400 -0.035 0.000 2.148 108 K HA -0.087 4.233 4.320 0.000 0.000 0.204 108 K C 2.239 178.854 176.600 0.025 0.000 1.050 108 K CA 1.721 58.037 56.287 0.049 0.000 0.942 108 K CB -0.502 32.046 32.500 0.080 0.000 0.724 108 K HN 0.578 nan 8.250 nan 0.000 0.446 109 T N 0.382 114.938 114.554 0.003 0.000 2.803 109 T HA -0.147 4.203 4.350 0.000 0.000 0.269 109 T C 1.065 175.631 174.700 -0.224 0.000 1.052 109 T CA 1.269 63.301 62.100 -0.113 0.000 1.136 109 T CB -0.190 68.581 68.868 -0.163 0.000 0.864 109 T HN 0.240 nan 8.240 nan 0.000 0.467 110 Y N 0.298 120.564 120.300 -0.056 0.000 2.468 110 Y HA 0.430 4.980 4.550 0.000 0.000 0.268 110 Y C 1.803 177.692 175.900 -0.018 0.000 1.177 110 Y CA -0.163 57.913 58.100 -0.040 0.000 1.265 110 Y CB 0.234 38.658 38.460 -0.058 0.000 1.103 110 Y HN 0.308 nan 8.280 nan 0.000 0.522 111 G N -0.647 108.205 108.800 0.086 0.000 2.192 111 G HA2 -0.142 3.818 3.960 0.000 0.000 0.193 111 G HA3 -0.142 3.818 3.960 0.000 0.000 0.193 111 G C 0.357 175.313 174.900 0.095 0.000 0.999 111 G CA -0.389 44.756 45.100 0.075 0.000 0.659 111 G HN 0.518 nan 8.290 nan 0.000 0.503 112 A N 0.352 123.241 122.820 0.115 0.000 2.511 112 A HA 0.612 4.932 4.320 0.000 0.000 0.242 112 A C 1.377 179.068 177.584 0.179 0.000 1.069 112 A CA 0.996 53.151 52.037 0.195 0.000 0.763 112 A CB 0.451 19.589 19.000 0.230 0.000 1.001 112 A HN 0.159 nan 8.150 nan 0.000 0.498 113 K N 1.729 122.205 120.400 0.128 0.000 2.313 113 K HA 0.131 4.451 4.320 0.000 0.000 0.197 113 K C 1.241 177.733 176.600 -0.180 0.000 1.061 113 K CA 0.887 57.178 56.287 0.006 0.000 0.980 113 K CB -0.145 32.348 32.500 -0.011 0.000 0.888 113 K HN 1.597 nan 8.250 nan 0.000 0.502 114 G N 4.206 112.756 108.800 -0.416 0.000 2.366 114 G HA2 -0.241 3.719 3.960 0.000 0.000 0.299 114 G HA3 -0.241 3.719 3.960 0.000 0.000 0.299 114 G C 0.012 174.512 174.900 -0.668 0.000 1.020 114 G CA 0.959 45.321 45.100 -1.229 0.000 1.026 114 G HN 0.457 nan 8.290 nan 0.000 0.512 115 D N -1.699 118.492 120.400 -0.348 0.000 2.398 115 D HA 0.372 5.012 4.640 0.000 0.000 0.210 115 D C 1.783 177.988 176.300 -0.159 0.000 1.094 115 D CA 0.431 54.307 54.000 -0.208 0.000 0.839 115 D CB -0.312 40.421 40.800 -0.111 0.000 0.963 115 D HN 1.437 nan 8.370 nan 0.000 0.506 116 G N -0.549 108.144 108.800 -0.179 0.000 2.179 116 G HA2 -0.303 3.657 3.960 0.000 0.000 0.260 116 G HA3 -0.303 3.657 3.960 0.000 0.000 0.260 116 G C 0.780 175.646 174.900 -0.056 0.000 0.977 116 G CA 0.520 45.556 45.100 -0.107 0.000 0.641 116 G HN 0.385 nan 8.290 nan 0.000 0.533 117 V N -0.479 119.405 119.914 -0.051 0.000 3.177 117 V HA 0.220 4.340 4.120 0.000 0.000 0.219 117 V C 1.570 177.659 176.094 -0.008 0.000 1.344 117 V CA 1.385 63.672 62.300 -0.022 0.000 1.324 117 V CB 0.009 31.821 31.823 -0.018 0.000 1.165 117 V HN 0.307 nan 8.190 nan 0.000 0.510 118 T N 2.296 116.844 114.554 -0.010 0.000 2.916 118 T HA 0.091 4.441 4.350 0.000 0.000 0.303 118 T C -0.241 174.481 174.700 0.037 0.000 1.025 118 T CA 0.338 62.446 62.100 0.014 0.000 1.142 118 T CB 0.479 69.356 68.868 0.015 0.000 0.947 118 T HN 0.323 nan 8.240 nan 0.000 0.544 119 D N 2.037 122.466 120.400 0.047 0.000 2.363 119 D HA 0.032 4.672 4.640 0.000 0.000 0.263 119 D C 0.220 176.581 176.300 0.101 0.000 1.258 119 D CA -0.253 53.787 54.000 0.066 0.000 0.907 119 D CB 0.490 41.322 40.800 0.054 0.000 1.107 119 D HN 0.340 nan 8.370 nan 0.000 0.495 120 D N 3.659 124.147 120.400 0.146 0.000 2.363 120 D HA -0.013 4.627 4.640 0.000 0.000 0.214 120 D C 1.733 178.205 176.300 0.286 0.000 1.093 120 D CA -0.277 53.874 54.000 0.251 0.000 0.837 120 D CB 0.300 41.360 40.800 0.434 0.000 0.948 120 D HN 0.416 nan 8.370 nan 0.000 0.507 121 I N 1.205 121.869 120.570 0.157 0.000 2.208 121 I HA -0.250 3.920 4.170 0.000 0.000 0.245 121 I C 1.986 178.193 176.117 0.150 0.000 1.097 121 I CA 1.497 62.869 61.300 0.121 0.000 1.363 121 I CB 0.161 38.195 38.000 0.058 0.000 1.051 121 I HN -0.184 nan 8.210 nan 0.000 0.413 122 R N 0.624 121.198 120.500 0.123 0.000 2.092 122 R HA 0.018 4.358 4.340 0.000 0.000 0.231 122 R C 2.241 178.602 176.300 0.102 0.000 1.119 122 R CA 1.277 57.435 56.100 0.096 0.000 0.970 122 R CB -1.254 29.095 30.300 0.081 0.000 0.864 122 R HN 0.504 nan 8.270 nan 0.000 0.440 123 A N 0.354 123.254 122.820 0.134 0.000 1.902 123 A HA -0.145 4.175 4.320 0.000 0.000 0.217 123 A C 2.064 179.618 177.584 -0.050 0.000 1.181 123 A CA 1.177 53.269 52.037 0.090 0.000 0.623 123 A CB -0.662 18.398 19.000 0.100 0.000 0.818 123 A HN 0.185 nan 8.150 nan 0.000 0.443 124 F N 0.216 120.119 119.950 -0.079 0.000 2.102 124 F HA -0.141 4.386 4.527 0.000 0.000 0.298 124 F C 2.509 178.213 175.800 -0.159 0.000 1.105 124 F CA 1.961 59.871 58.000 -0.149 0.000 1.239 124 F CB -0.429 38.480 39.000 -0.151 0.000 0.991 124 F HN 0.305 nan 8.300 nan 0.000 0.474 125 E N 0.027 120.272 120.200 0.074 0.000 2.085 125 E HA -0.231 4.119 4.350 0.000 0.000 0.194 125 E C 2.134 178.685 176.600 -0.081 0.000 0.994 125 E CA 1.343 57.739 56.400 -0.005 0.000 0.801 125 E CB -0.175 29.533 29.700 0.013 0.000 0.743 125 E HN 0.402 nan 8.360 nan 0.000 0.453 126 K N 0.437 120.772 120.400 -0.108 0.000 2.026 126 K HA -0.109 4.211 4.320 0.000 0.000 0.208 126 K C 2.232 178.485 176.600 -0.578 0.000 1.048 126 K CA 1.077 57.248 56.287 -0.193 0.000 0.929 126 K CB -0.153 32.344 32.500 -0.005 0.000 0.713 126 K HN 0.044 nan 8.250 nan 0.000 0.439 127 A N 1.427 123.728 122.820 -0.865 0.000 1.877 127 A HA -0.166 4.154 4.320 0.000 0.000 0.216 127 A C 2.129 179.473 177.584 -0.401 0.000 1.186 127 A CA 1.407 52.846 52.037 -0.996 0.000 0.620 127 A CB -0.624 17.960 19.000 -0.694 0.000 0.822 127 A HN 0.193 nan 8.150 nan 0.000 0.443 128 I N 0.308 120.729 120.570 -0.247 0.000 2.286 128 I HA -0.263 3.907 4.170 0.000 0.000 0.248 128 I C 2.493 178.560 176.117 -0.084 0.000 1.115 128 I CA 1.744 62.977 61.300 -0.113 0.000 1.392 128 I CB -0.320 37.642 38.000 -0.063 0.000 1.065 128 I HN 0.648 nan 8.210 nan 0.000 0.418 129 E N 0.629 120.770 120.200 -0.098 0.000 2.482 129 E HA -0.126 4.224 4.350 0.000 0.000 0.196 129 E C 1.933 178.506 176.600 -0.044 0.000 1.047 129 E CA 1.009 57.374 56.400 -0.059 0.000 0.869 129 E CB -0.193 29.482 29.700 -0.043 0.000 0.836 129 E HN 0.476 nan 8.360 nan 0.000 0.520 130 S N 0.235 115.905 115.700 -0.049 0.000 2.447 130 S HA 0.063 4.533 4.470 0.000 0.000 0.233 130 S C 1.862 176.434 174.600 -0.047 0.000 1.006 130 S CA 0.810 59.041 58.200 0.053 0.000 0.957 130 S CB -0.320 63.008 63.200 0.212 0.000 0.773 130 S HN 0.629 nan 8.310 nan 0.000 0.507 131 G N -0.104 108.643 108.800 -0.088 0.000 2.217 131 G HA2 -0.223 3.737 3.960 0.000 0.000 0.246 131 G HA3 -0.223 3.737 3.960 0.000 0.000 0.246 131 G C -0.016 174.731 174.900 -0.254 0.000 0.990 131 G CA 0.135 45.113 45.100 -0.203 0.000 0.627 131 G HN 0.529 nan 8.290 nan 0.000 0.522 132 F N 1.856 121.819 119.950 0.021 0.000 2.370 132 F HA 0.567 5.094 4.527 0.000 0.000 0.324 132 F C -1.532 174.288 175.800 0.034 0.000 1.116 132 F CA -2.222 55.800 58.000 0.036 0.000 1.123 132 F CB 0.631 39.667 39.000 0.059 0.000 1.238 132 F HN -0.174 nan 8.300 nan 0.000 0.536 133 P HA 0.074 nan 4.420 nan 0.000 0.266 133 P C -1.007 176.401 177.300 0.179 0.000 1.195 133 P CA -0.005 63.204 63.100 0.181 0.000 0.768 133 P CB 0.538 32.332 31.700 0.157 0.000 0.838 134 V N 4.386 124.378 119.914 0.129 0.000 2.435 134 V HA 0.283 4.403 4.120 0.000 0.000 0.290 134 V C -0.542 175.610 176.094 0.096 0.000 1.030 134 V CA -0.506 61.832 62.300 0.064 0.000 0.881 134 V CB 0.953 32.748 31.823 -0.047 0.000 0.983 134 V HN 0.410 nan 8.190 nan 0.000 0.445 135 Y N 4.469 124.719 120.300 -0.085 0.000 2.377 135 Y HA 0.680 5.230 4.550 0.000 0.000 0.339 135 Y C -0.399 175.333 175.900 -0.280 0.000 1.011 135 Y CA -0.915 57.104 58.100 -0.134 0.000 1.093 135 Y CB 1.929 40.312 38.460 -0.129 0.000 1.201 135 Y HN 0.377 nan 8.280 nan 0.000 0.455 136 V N 9.143 128.506 119.914 -0.918 0.000 2.334 136 V HA 0.394 4.514 4.120 0.000 0.000 0.281 136 V C -2.148 173.276 176.094 -1.115 0.000 1.016 136 V CA -1.680 60.053 62.300 -0.945 0.000 0.832 136 V CB 0.867 32.263 31.823 -0.713 0.000 0.999 136 V HN 0.694 nan 8.190 nan 0.000 0.439 137 P HA 0.167 nan 4.420 nan 0.000 0.302 137 P C -0.581 176.742 177.300 0.038 0.000 1.307 137 P CA -0.671 62.191 63.100 -0.396 0.000 0.754 137 P CB 0.660 32.320 31.700 -0.066 0.000 1.298 138 Y N 0.184 120.519 120.300 0.058 0.000 2.810 138 Y HA 0.350 4.900 4.550 0.000 0.000 0.332 138 Y C 0.498 176.471 175.900 0.123 0.000 1.243 138 Y CA 1.850 60.011 58.100 0.102 0.000 1.537 138 Y CB -0.690 37.808 38.460 0.063 0.000 1.265 138 Y HN 0.800 nan 8.280 nan 0.000 0.572 139 G N 3.280 111.531 108.800 -0.915 0.000 2.350 139 G HA2 0.231 4.191 3.960 0.000 0.000 0.304 139 G HA3 0.231 4.191 3.960 0.000 0.000 0.304 139 G C -1.547 172.928 174.900 -0.707 0.000 1.421 139 G CA -0.763 43.645 45.100 -1.154 0.000 0.934 139 G HN 0.618 nan 8.290 nan 0.000 0.632 140 T N 1.422 115.564 114.554 -0.687 0.000 2.801 140 T HA 0.523 4.873 4.350 0.000 0.000 0.306 140 T C -0.746 173.701 174.700 -0.422 0.000 1.020 140 T CA 0.007 61.901 62.100 -0.343 0.000 0.948 140 T CB 0.091 68.840 68.868 -0.198 0.000 0.962 140 T HN 0.338 nan 8.240 nan 0.000 0.465 141 F N 4.182 124.089 119.950 -0.071 0.000 2.350 141 F HA 0.410 4.937 4.527 0.000 0.000 0.365 141 F C 0.689 176.439 175.800 -0.083 0.000 1.122 141 F CA -1.179 56.810 58.000 -0.018 0.000 1.139 141 F CB 0.515 39.594 39.000 0.132 0.000 1.220 141 F HN 0.196 nan 8.300 nan 0.000 0.499 142 M N 3.158 122.791 119.600 0.055 0.000 2.250 142 M HA 0.418 4.898 4.480 0.000 0.000 0.344 142 M C -0.405 175.913 176.300 0.030 0.000 1.150 142 M CA -0.518 54.799 55.300 0.029 0.000 1.147 142 M CB 1.347 33.961 32.600 0.023 0.000 1.498 142 M HN 0.290 nan 8.290 nan 0.000 0.461 143 V N 1.728 121.665 119.914 0.038 0.000 2.733 143 V HA 0.306 4.426 4.120 0.000 0.000 0.306 143 V C 0.559 176.752 176.094 0.165 0.000 1.084 143 V CA -0.215 62.109 62.300 0.039 0.000 0.905 143 V CB 2.473 34.219 31.823 -0.128 0.000 1.010 143 V HN 1.051 nan 8.190 nan 0.000 0.424 144 S N 4.880 120.651 115.700 0.118 0.000 2.517 144 S HA 0.259 4.729 4.470 0.000 0.000 0.214 144 S C 0.509 175.161 174.600 0.087 0.000 0.991 144 S CA -0.164 58.088 58.200 0.087 0.000 0.906 144 S CB 0.097 63.324 63.200 0.044 0.000 0.789 144 S HN 0.838 nan 8.310 nan 0.000 0.513 145 R N -0.734 119.871 120.500 0.176 0.000 2.781 145 R HA 0.691 5.031 4.340 0.000 0.000 0.269 145 R C 0.037 176.555 176.300 0.364 0.000 1.025 145 R CA -0.779 55.458 56.100 0.229 0.000 0.914 145 R CB 0.128 30.498 30.300 0.117 0.000 1.236 145 R HN 0.023 nan 8.270 nan 0.000 0.465 146 G N 1.035 110.091 108.800 0.425 0.000 2.491 146 G HA2 0.281 4.242 3.960 0.000 0.000 0.238 146 G HA3 0.281 4.242 3.960 0.000 0.000 0.238 146 G C -0.087 174.814 174.900 0.001 0.000 1.277 146 G CA -0.726 44.556 45.100 0.304 0.000 0.851 146 G HN 0.437 nan 8.290 nan 0.000 0.573 147 I N 1.569 122.050 120.570 -0.149 0.000 2.322 147 I HA 0.131 4.301 4.170 0.000 0.000 0.292 147 I C 0.527 176.433 176.117 -0.351 0.000 1.060 147 I CA -0.022 61.144 61.300 -0.224 0.000 1.309 147 I CB 0.811 38.655 38.000 -0.260 0.000 1.415 147 I HN 0.284 nan 8.210 nan 0.000 0.492 148 K N 7.243 127.424 120.400 -0.366 0.000 2.201 148 K HA 0.573 4.893 4.320 0.000 0.000 0.278 148 K C -0.941 175.523 176.600 -0.227 0.000 1.027 148 K CA -0.454 55.558 56.287 -0.459 0.000 0.909 148 K CB 1.266 33.541 32.500 -0.375 0.000 1.062 148 K HN 0.479 nan 8.250 nan 0.000 0.465 149 L N 5.692 126.806 121.223 -0.181 0.000 2.305 149 L HA 0.441 4.781 4.340 0.000 0.000 0.284 149 L C -2.078 174.763 176.870 -0.048 0.000 1.013 149 L CA -2.177 52.617 54.840 -0.076 0.000 0.819 149 L CB 1.326 43.367 42.059 -0.031 0.000 1.227 149 L HN 0.465 nan 8.230 nan 0.000 0.417 150 P HA 0.218 nan 4.420 nan 0.000 0.282 150 P C -0.387 176.912 177.300 -0.000 0.000 1.287 150 P CA -0.539 62.551 63.100 -0.016 0.000 0.792 150 P CB 0.853 32.543 31.700 -0.017 0.000 1.163 151 S N 0.295 115.998 115.700 0.005 0.000 2.573 151 S HA 0.041 4.511 4.470 0.000 0.000 0.277 151 S C 0.533 175.153 174.600 0.033 0.000 1.346 151 S CA 0.001 58.209 58.200 0.014 0.000 1.034 151 S CB -0.916 62.292 63.200 0.013 0.000 0.879 151 S HN 0.544 nan 8.310 nan 0.000 0.528 152 N N 0.503 119.238 118.700 0.059 0.000 2.738 152 N HA -0.137 4.603 4.740 0.000 0.000 0.249 152 N C -0.852 174.740 175.510 0.137 0.000 1.047 152 N CA 0.730 53.855 53.050 0.126 0.000 0.707 152 N CB -1.631 36.914 38.487 0.096 0.000 0.937 152 N HN 0.526 nan 8.380 nan 0.000 0.545 153 T N 0.365 114.996 114.554 0.128 0.000 2.795 153 T HA 0.500 4.850 4.350 0.000 0.000 0.282 153 T C 0.511 175.373 174.700 0.269 0.000 0.980 153 T CA -0.405 61.779 62.100 0.140 0.000 1.012 153 T CB 2.458 71.373 68.868 0.079 0.000 0.936 153 T HN -0.044 nan 8.240 nan 0.000 0.457 154 V N 4.779 124.841 119.914 0.248 0.000 2.378 154 V HA 0.505 4.625 4.120 0.000 0.000 0.288 154 V C -0.768 175.450 176.094 0.207 0.000 1.016 154 V CA -0.788 61.682 62.300 0.283 0.000 0.840 154 V CB 1.338 33.283 31.823 0.204 0.000 0.994 154 V HN 0.640 nan 8.190 nan 0.000 0.431 155 L N 5.508 126.871 121.223 0.234 0.000 2.372 155 L HA 0.810 5.150 4.340 0.000 0.000 0.273 155 L C -0.190 176.862 176.870 0.303 0.000 0.989 155 L CA 0.317 55.277 54.840 0.199 0.000 0.841 155 L CB 1.913 44.065 42.059 0.155 0.000 1.225 155 L HN 0.761 nan 8.230 nan 0.000 0.414 156 T N 2.506 117.212 114.554 0.253 0.000 2.876 156 T HA 0.882 5.232 4.350 0.000 0.000 0.289 156 T C -0.086 174.740 174.700 0.209 0.000 1.014 156 T CA 0.020 62.309 62.100 0.315 0.000 0.986 156 T CB 1.390 70.436 68.868 0.296 0.000 1.021 156 T HN 0.805 nan 8.240 nan 0.000 0.458 157 G N 0.808 109.768 108.800 0.266 0.000 2.601 157 G HA2 0.625 4.585 3.960 0.000 0.000 0.317 157 G HA3 0.625 4.585 3.960 0.000 0.000 0.317 157 G C 0.948 175.882 174.900 0.057 0.000 1.246 157 G CA -0.322 44.790 45.100 0.020 0.000 1.012 157 G HN 1.066 nan 8.290 nan 0.000 0.494 158 A N -1.503 121.284 122.820 -0.055 0.000 2.168 158 A HA 0.540 4.860 4.320 0.000 0.000 0.215 158 A C 1.316 179.003 177.584 0.171 0.000 1.152 158 A CA 1.589 53.704 52.037 0.131 0.000 0.716 158 A CB -0.676 18.392 19.000 0.114 0.000 0.794 158 A HN 2.359 nan 8.150 nan 0.000 0.465 159 G N -1.228 107.669 108.800 0.162 0.000 2.326 159 G HA2 0.193 4.153 3.960 0.000 0.000 0.413 159 G HA3 0.193 4.153 3.960 0.000 0.000 0.413 159 G C -0.981 174.010 174.900 0.151 0.000 1.444 159 G CA -0.851 44.338 45.100 0.149 0.000 1.002 159 G HN 0.259 nan 8.290 nan 0.000 0.649 160 K N 0.690 121.162 120.400 0.120 0.000 2.489 160 K HA 0.265 4.585 4.320 0.000 0.000 0.278 160 K C 0.994 177.673 176.600 0.132 0.000 1.000 160 K CA 0.548 56.906 56.287 0.118 0.000 1.012 160 K CB 0.201 32.758 32.500 0.094 0.000 0.903 160 K HN 0.688 nan 8.250 nan 0.000 0.485 161 R N 0.581 121.164 120.500 0.137 0.000 3.758 161 R HA -0.280 4.060 4.340 0.000 0.000 0.299 161 R C 0.414 176.816 176.300 0.171 0.000 1.182 161 R CA 0.764 56.946 56.100 0.137 0.000 0.809 161 R CB -1.535 28.836 30.300 0.119 0.000 1.249 161 R HN 0.755 nan 8.270 nan 0.000 0.497 162 N N -0.170 118.645 118.700 0.191 0.000 3.233 162 N HA 0.126 4.866 4.740 0.000 0.000 0.244 162 N C -0.520 175.122 175.510 0.219 0.000 1.007 162 N CA 0.907 54.115 53.050 0.264 0.000 1.103 162 N CB 0.355 38.979 38.487 0.228 0.000 1.573 162 N HN 0.216 nan 8.380 nan 0.000 0.694 163 A N 2.169 125.098 122.820 0.182 0.000 2.310 163 A HA 0.598 4.918 4.320 0.000 0.000 0.300 163 A C -0.622 177.083 177.584 0.201 0.000 1.269 163 A CA -0.282 51.859 52.037 0.174 0.000 0.909 163 A CB 0.230 19.275 19.000 0.074 0.000 1.144 163 A HN 0.068 nan 8.150 nan 0.000 0.540 164 V N 4.534 124.567 119.914 0.199 0.000 2.540 164 V HA 0.440 4.560 4.120 0.000 0.000 0.302 164 V C -0.248 175.942 176.094 0.160 0.000 1.035 164 V CA -0.285 62.106 62.300 0.151 0.000 0.873 164 V CB 1.568 33.438 31.823 0.079 0.000 0.992 164 V HN 0.760 nan 8.190 nan 0.000 0.428 165 I N 4.872 125.479 120.570 0.061 0.000 2.406 165 I HA 0.646 4.816 4.170 0.000 0.000 0.290 165 I C -0.135 175.927 176.117 -0.092 0.000 0.999 165 I CA -0.475 60.782 61.300 -0.071 0.000 1.124 165 I CB 1.719 39.554 38.000 -0.274 0.000 1.289 165 I HN 0.569 nan 8.210 nan 0.000 0.441 166 R N 6.047 126.488 120.500 -0.098 0.000 2.564 166 R HA 0.465 4.805 4.340 0.000 0.000 0.284 166 R C -1.392 174.905 176.300 -0.005 0.000 1.031 166 R CA -0.598 55.470 56.100 -0.053 0.000 0.904 166 R CB 1.678 31.981 30.300 0.004 0.000 1.199 166 R HN 0.419 nan 8.270 nan 0.000 0.443 167 F N 4.178 124.112 119.950 -0.026 0.000 2.572 167 F HA 0.096 4.623 4.527 0.000 0.000 0.370 167 F C 1.080 176.869 175.800 -0.019 0.000 1.103 167 F CA -0.056 57.930 58.000 -0.024 0.000 1.286 167 F CB 0.831 39.824 39.000 -0.011 0.000 1.105 167 F HN 0.307 nan 8.300 nan 0.000 0.583 168 M N 3.146 122.876 119.600 0.217 0.000 2.240 168 M HA -0.025 4.455 4.480 0.000 0.000 0.333 168 M C 1.074 177.397 176.300 0.038 0.000 1.110 168 M CA -0.214 55.138 55.300 0.087 0.000 1.173 168 M CB 0.451 33.083 32.600 0.054 0.000 1.458 168 M HN 0.537 nan 8.290 nan 0.000 0.458 169 D N 0.197 120.609 120.400 0.020 0.000 2.228 169 D HA -0.125 4.515 4.640 0.000 0.000 0.203 169 D C 1.782 178.064 176.300 -0.030 0.000 0.988 169 D CA 1.716 55.715 54.000 -0.001 0.000 0.864 169 D CB -0.112 40.688 40.800 0.001 0.000 0.928 169 D HN 0.674 nan 8.370 nan 0.000 0.469 170 S N -0.515 115.163 115.700 -0.035 0.000 2.593 170 S HA 0.061 4.531 4.470 0.000 0.000 0.217 170 S C 0.856 175.400 174.600 -0.094 0.000 0.966 170 S CA -0.404 57.766 58.200 -0.051 0.000 0.914 170 S CB -0.001 63.179 63.200 -0.033 0.000 0.776 170 S HN -0.095 nan 8.310 nan 0.000 0.523 171 V N 2.709 122.532 119.914 -0.152 0.000 2.585 171 V HA 0.450 4.570 4.120 0.000 0.000 0.296 171 V C 1.516 177.452 176.094 -0.263 0.000 1.035 171 V CA 0.093 62.224 62.300 -0.281 0.000 1.084 171 V CB 0.237 31.695 31.823 -0.609 0.000 0.953 171 V HN 0.503 nan 8.190 nan 0.000 0.483 172 G N 5.550 114.219 108.800 -0.219 0.000 2.514 172 G HA2 0.307 4.267 3.960 0.000 0.000 0.245 172 G HA3 0.307 4.267 3.960 0.000 0.000 0.245 172 G C 0.007 174.795 174.900 -0.187 0.000 1.488 172 G CA -0.575 44.428 45.100 -0.163 0.000 1.063 172 G HN 0.541 nan 8.290 nan 0.000 0.557 173 R N -1.137 119.287 120.500 -0.126 0.000 2.668 173 R HA 0.583 4.923 4.340 0.000 0.000 0.279 173 R C 0.680 176.924 176.300 -0.094 0.000 0.976 173 R CA -0.010 56.027 56.100 -0.106 0.000 0.978 173 R CB 0.895 31.150 30.300 -0.074 0.000 1.133 173 R HN 1.206 nan 8.270 nan 0.000 0.484 174 G N 0.680 109.431 108.800 -0.082 0.000 2.316 174 G HA2 -0.194 3.766 3.960 0.000 0.000 0.203 174 G HA3 -0.194 3.766 3.960 0.000 0.000 0.203 174 G C -0.086 174.761 174.900 -0.089 0.000 0.999 174 G CA -0.405 44.647 45.100 -0.080 0.000 0.649 174 G HN 0.462 nan 8.290 nan 0.000 0.489 175 E N 1.088 121.260 120.200 -0.047 0.000 2.191 175 E HA 0.595 4.945 4.350 0.000 0.000 0.274 175 E C -0.245 176.425 176.600 0.116 0.000 0.948 175 E CA -0.385 56.012 56.400 -0.005 0.000 0.802 175 E CB 1.482 31.282 29.700 0.167 0.000 1.137 175 E HN 0.186 nan 8.360 nan 0.000 0.397 176 S N 2.496 118.175 115.700 -0.035 0.000 2.585 176 S HA 0.055 4.525 4.470 0.000 0.000 0.273 176 S C 1.264 176.027 174.600 0.270 0.000 1.339 176 S CA -0.413 57.849 58.200 0.103 0.000 1.028 176 S CB 0.707 63.903 63.200 -0.006 0.000 0.906 176 S HN 0.529 nan 8.310 nan 0.000 0.528 177 L N 1.045 122.277 121.223 0.014 0.000 2.093 177 L HA 0.142 4.482 4.340 0.000 0.000 0.208 177 L C 0.656 177.432 176.870 -0.156 0.000 1.085 177 L CA 1.339 55.902 54.840 -0.462 0.000 0.755 177 L CB -0.025 41.669 42.059 -0.608 0.000 0.904 177 L HN 0.637 nan 8.230 nan 0.000 0.435 178 M N -0.708 118.919 119.600 0.046 0.000 2.324 178 M HA 0.345 4.825 4.480 0.000 0.000 0.288 178 M C -1.919 174.522 176.300 0.235 0.000 1.097 178 M CA -0.722 54.610 55.300 0.054 0.000 0.928 178 M CB 2.043 34.652 32.600 0.015 0.000 1.648 178 M HN 0.069 nan 8.290 nan 0.000 0.460 179 Y N 1.126 121.428 120.300 0.004 0.000 2.677 179 Y HA 0.537 5.087 4.550 0.000 0.000 0.334 179 Y C -1.419 174.492 175.900 0.019 0.000 1.196 179 Y CA -1.685 56.427 58.100 0.019 0.000 1.059 179 Y CB 0.345 38.817 38.460 0.020 0.000 1.315 179 Y HN 0.826 nan 8.280 nan 0.000 0.455 180 N N -0.023 118.760 118.700 0.139 0.000 2.518 180 N HA 0.223 4.963 4.740 0.000 0.000 0.266 180 N C 0.467 176.002 175.510 0.042 0.000 1.196 180 N CA 0.002 53.078 53.050 0.044 0.000 0.947 180 N CB 1.607 40.134 38.487 0.067 0.000 1.098 180 N HN 0.832 nan 8.380 nan 0.000 0.450 181 E N 1.073 121.252 120.200 -0.035 0.000 2.051 181 E HA -0.290 4.060 4.350 0.000 0.000 0.192 181 E C 0.099 176.732 176.600 0.054 0.000 0.991 181 E CA 1.079 57.462 56.400 -0.029 0.000 0.799 181 E CB -0.217 29.455 29.700 -0.046 0.000 0.748 181 E HN 0.611 nan 8.360 nan 0.000 0.449 182 N N 0.812 119.540 118.700 0.047 0.000 2.508 182 N HA 0.026 4.766 4.740 0.000 0.000 0.253 182 N C 0.320 175.870 175.510 0.067 0.000 1.145 182 N CA -0.059 53.021 53.050 0.049 0.000 0.973 182 N CB 1.094 39.597 38.487 0.027 0.000 1.305 182 N HN 0.057 nan 8.380 nan 0.000 0.506 183 V N 2.199 122.163 119.914 0.083 0.000 2.490 183 V HA -0.203 3.917 4.120 0.000 0.000 0.250 183 V C 2.217 178.328 176.094 0.030 0.000 1.061 183 V CA 2.408 64.751 62.300 0.073 0.000 1.064 183 V CB -0.545 31.317 31.823 0.064 0.000 0.670 183 V HN 0.782 nan 8.190 nan 0.000 0.461 184 T N -3.088 111.478 114.554 0.021 0.000 3.021 184 T HA -0.064 4.286 4.350 0.000 0.000 0.245 184 T C 1.611 176.317 174.700 0.010 0.000 1.028 184 T CA 1.212 63.315 62.100 0.005 0.000 1.139 184 T CB -0.140 68.727 68.868 -0.002 0.000 0.884 184 T HN 0.534 nan 8.240 nan 0.000 0.457 185 T N -1.745 112.819 114.554 0.016 0.000 3.010 185 T HA 0.567 4.917 4.350 0.000 0.000 0.257 185 T C 1.194 175.907 174.700 0.022 0.000 1.020 185 T CA 0.305 62.413 62.100 0.014 0.000 0.938 185 T CB -0.017 68.853 68.868 0.003 0.000 1.049 185 T HN 1.166 nan 8.240 nan 0.000 0.522 186 G N 1.183 110.003 108.800 0.033 0.000 2.710 186 G HA2 -0.048 3.912 3.960 0.000 0.000 0.668 186 G HA3 -0.048 3.912 3.960 0.000 0.000 0.668 186 G C -1.343 173.575 174.900 0.030 0.000 1.320 186 G CA -0.637 44.492 45.100 0.047 0.000 0.860 186 G HN 0.529 nan 8.290 nan 0.000 0.538 187 N N -0.098 118.626 118.700 0.041 0.000 2.629 187 N HA 0.613 5.353 4.740 0.000 0.000 0.279 187 N C -0.830 174.700 175.510 0.032 0.000 1.344 187 N CA -0.631 52.433 53.050 0.023 0.000 0.789 187 N CB 2.061 40.560 38.487 0.020 0.000 1.508 187 N HN 0.715 nan 8.380 nan 0.000 0.516 188 E N 0.439 120.650 120.200 0.019 0.000 2.312 188 E HA 0.353 4.703 4.350 0.000 0.000 0.267 188 E C -1.125 175.476 176.600 0.003 0.000 0.894 188 E CA -0.747 55.675 56.400 0.036 0.000 0.773 188 E CB 1.508 31.229 29.700 0.036 0.000 1.241 188 E HN 0.384 nan 8.360 nan 0.000 0.432 189 N N 1.315 119.996 118.700 -0.033 0.000 2.621 189 N HA -0.171 4.569 4.740 0.000 0.000 0.269 189 N C -1.289 173.953 175.510 -0.447 0.000 1.154 189 N CA 0.874 53.818 53.050 -0.177 0.000 0.696 189 N CB -1.158 37.410 38.487 0.136 0.000 0.878 189 N HN 0.473 nan 8.380 nan 0.000 0.550 190 I N 1.202 121.376 120.570 -0.660 0.000 2.418 190 I HA 0.423 4.593 4.170 0.000 0.000 0.287 190 I C -0.461 175.306 176.117 -0.584 0.000 1.008 190 I CA -0.692 60.345 61.300 -0.439 0.000 1.104 190 I CB 0.900 38.822 38.000 -0.129 0.000 1.264 190 I HN -0.010 nan 8.210 nan 0.000 0.438 191 F N 6.959 127.014 119.950 0.176 0.000 2.434 191 F HA 0.537 5.064 4.527 0.000 0.000 0.355 191 F C -0.468 175.435 175.800 0.173 0.000 1.115 191 F CA -0.589 57.519 58.000 0.179 0.000 1.010 191 F CB 0.982 40.038 39.000 0.094 0.000 1.234 191 F HN 0.082 nan 8.300 nan 0.000 0.439 192 L N 3.251 124.651 121.223 0.294 0.000 2.333 192 L HA 0.765 5.105 4.340 0.000 0.000 0.280 192 L C -0.477 176.477 176.870 0.141 0.000 1.004 192 L CA -0.455 54.545 54.840 0.265 0.000 0.820 192 L CB 1.980 44.177 42.059 0.230 0.000 1.247 192 L HN 0.541 nan 8.230 nan 0.000 0.416 193 S N 0.282 116.065 115.700 0.138 0.000 2.536 193 S HA 0.466 4.936 4.470 0.000 0.000 0.271 193 S C -0.373 174.215 174.600 -0.020 0.000 1.134 193 S CA -0.815 57.397 58.200 0.020 0.000 0.897 193 S CB 1.905 65.177 63.200 0.119 0.000 1.094 193 S HN 0.606 nan 8.310 nan 0.000 0.473 194 S N 0.729 116.356 115.700 -0.121 0.000 3.791 194 S HA -0.116 4.354 4.470 0.000 0.000 0.393 194 S C -0.487 174.188 174.600 0.125 0.000 0.936 194 S CA 1.155 59.364 58.200 0.014 0.000 1.234 194 S CB -2.022 61.254 63.200 0.127 0.000 0.891 194 S HN 1.186 nan 8.310 nan 0.000 0.519 195 F N -2.988 116.999 119.950 0.061 0.000 2.741 195 F HA 0.793 5.320 4.527 0.000 0.000 0.313 195 F C -0.377 175.453 175.800 0.051 0.000 1.153 195 F CA -1.214 56.814 58.000 0.046 0.000 0.931 195 F CB 0.819 39.829 39.000 0.017 0.000 1.335 195 F HN -0.099 nan 8.300 nan 0.000 0.460 196 T N 2.684 117.440 114.554 0.337 0.000 2.795 196 T HA 0.629 4.979 4.350 0.000 0.000 0.282 196 T C -0.553 174.305 174.700 0.264 0.000 0.980 196 T CA -0.437 61.794 62.100 0.220 0.000 1.012 196 T CB 1.004 69.963 68.868 0.152 0.000 0.936 196 T HN 0.533 nan 8.240 nan 0.000 0.457 197 L N 3.556 124.895 121.223 0.194 0.000 2.265 197 L HA 0.439 4.779 4.340 0.000 0.000 0.289 197 L C -0.076 176.824 176.870 0.050 0.000 1.033 197 L CA -0.760 54.148 54.840 0.114 0.000 0.814 197 L CB 1.033 43.160 42.059 0.113 0.000 1.203 197 L HN 0.541 nan 8.230 nan 0.000 0.423 198 D N 2.433 122.840 120.400 0.012 0.000 2.441 198 D HA 0.243 4.883 4.640 0.000 0.000 0.231 198 D C 0.947 177.249 176.300 0.002 0.000 1.073 198 D CA -0.431 53.582 54.000 0.021 0.000 0.850 198 D CB 2.112 42.932 40.800 0.033 0.000 1.062 198 D HN 0.590 nan 8.370 nan 0.000 0.524 199 G N 3.103 111.923 108.800 0.034 0.000 2.744 199 G HA2 -0.196 3.764 3.960 0.000 0.000 0.211 199 G HA3 -0.196 3.764 3.960 0.000 0.000 0.211 199 G C 0.890 175.909 174.900 0.199 0.000 1.143 199 G CA -0.024 45.127 45.100 0.086 0.000 0.788 199 G HN 0.859 nan 8.290 nan 0.000 0.534 200 N N -0.178 118.598 118.700 0.127 0.000 2.716 200 N HA -0.293 4.447 4.740 0.000 0.000 0.250 200 N C 1.267 176.839 175.510 0.104 0.000 1.033 200 N CA 0.504 53.623 53.050 0.116 0.000 0.727 200 N CB -0.958 37.616 38.487 0.146 0.000 0.950 200 N HN 0.472 nan 8.380 nan 0.000 0.541 201 N N 0.678 119.430 118.700 0.087 0.000 2.205 201 N HA -0.142 4.598 4.740 0.000 0.000 0.186 201 N C 1.462 176.989 175.510 0.030 0.000 1.015 201 N CA 1.482 54.567 53.050 0.058 0.000 0.862 201 N CB 0.092 38.608 38.487 0.049 0.000 0.986 201 N HN 0.362 nan 8.380 nan 0.000 0.429 202 K N 0.258 120.674 120.400 0.026 0.000 2.144 202 K HA -0.259 4.061 4.320 0.000 0.000 0.209 202 K C 1.965 178.570 176.600 0.008 0.000 1.047 202 K CA 1.771 58.066 56.287 0.013 0.000 0.927 202 K CB -0.276 32.234 32.500 0.016 0.000 0.716 202 K HN 0.501 nan 8.250 nan 0.000 0.454 203 R N 1.021 121.528 120.500 0.012 0.000 2.249 203 R HA -0.125 4.215 4.340 0.000 0.000 0.230 203 R C 1.515 177.807 176.300 -0.013 0.000 1.121 203 R CA 1.232 57.332 56.100 -0.000 0.000 0.997 203 R CB -0.323 29.976 30.300 -0.002 0.000 0.867 203 R HN 0.204 nan 8.270 nan 0.000 0.465 204 L N 0.504 121.720 121.223 -0.012 0.000 2.607 204 L HA 0.317 4.657 4.340 0.000 0.000 0.228 204 L C 0.842 177.702 176.870 -0.016 0.000 1.123 204 L CA 0.241 55.069 54.840 -0.019 0.000 0.890 204 L CB 0.147 42.194 42.059 -0.020 0.000 1.103 204 L HN 0.546 nan 8.230 nan 0.000 0.468 205 G N 0.161 108.954 108.800 -0.012 0.000 2.757 205 G HA2 -0.159 3.801 3.960 0.000 0.000 0.638 205 G HA3 -0.159 3.801 3.960 0.000 0.000 0.638 205 G C -0.761 174.132 174.900 -0.012 0.000 1.344 205 G CA -0.859 44.234 45.100 -0.012 0.000 0.855 205 G HN 0.019 nan 8.290 nan 0.000 0.537 206 Q N -0.019 119.773 119.800 -0.014 0.000 2.221 206 Q HA 0.580 4.920 4.340 0.000 0.000 0.242 206 Q C 1.285 177.274 176.000 -0.019 0.000 0.940 206 Q CA 0.715 56.508 55.803 -0.017 0.000 0.896 206 Q CB 1.004 29.730 28.738 -0.021 0.000 1.226 206 Q HN 2.526 nan 8.270 nan 0.000 0.463 207 G N 0.825 109.612 108.800 -0.021 0.000 2.141 207 G HA2 -0.224 3.736 3.960 0.000 0.000 0.242 207 G HA3 -0.224 3.736 3.960 0.000 0.000 0.242 207 G C -0.007 174.885 174.900 -0.013 0.000 0.982 207 G CA -0.101 44.986 45.100 -0.020 0.000 0.662 207 G HN 0.437 nan 8.290 nan 0.000 0.527 208 I N 1.008 121.572 120.570 -0.009 0.000 2.412 208 I HA 0.640 4.810 4.170 0.000 0.000 0.296 208 I C 0.547 176.665 176.117 0.002 0.000 0.987 208 I CA -0.516 60.781 61.300 -0.006 0.000 1.180 208 I CB 1.889 39.883 38.000 -0.010 0.000 1.340 208 I HN 0.145 nan 8.210 nan 0.000 0.455 209 S N 3.051 118.752 115.700 0.003 0.000 2.823 209 S HA 0.695 5.165 4.470 0.000 0.000 0.316 209 S C 0.023 174.618 174.600 -0.009 0.000 1.116 209 S CA -0.503 57.700 58.200 0.006 0.000 0.911 209 S CB 1.485 64.696 63.200 0.019 0.000 1.276 209 S HN 0.758 nan 8.310 nan 0.000 0.565 210 G N 0.955 109.740 108.800 -0.026 0.000 2.414 210 G HA2 0.215 4.175 3.960 0.000 0.000 0.236 210 G HA3 0.215 4.175 3.960 0.000 0.000 0.236 210 G C 0.699 175.580 174.900 -0.032 0.000 1.293 210 G CA -0.153 44.922 45.100 -0.041 0.000 0.869 210 G HN 0.763 nan 8.290 nan 0.000 0.556 211 I N 0.989 121.534 120.570 -0.041 0.000 2.830 211 I HA 0.233 4.403 4.170 0.000 0.000 0.263 211 I C 1.131 177.225 176.117 -0.039 0.000 1.230 211 I CA 1.224 62.501 61.300 -0.039 0.000 1.480 211 I CB -0.057 37.915 38.000 -0.046 0.000 1.095 211 I HN 0.679 nan 8.210 nan 0.000 0.455 212 G N -0.662 108.107 108.800 -0.051 0.000 2.341 212 G HA2 0.408 4.368 3.960 0.000 0.000 0.300 212 G HA3 0.408 4.368 3.960 0.000 0.000 0.300 212 G C -0.133 174.702 174.900 -0.108 0.000 1.706 212 G CA -0.458 44.613 45.100 -0.048 0.000 0.916 212 G HN 0.545 nan 8.290 nan 0.000 0.716 213 G N 1.116 109.856 108.800 -0.100 0.000 2.574 213 G HA2 0.025 3.985 3.960 0.000 0.000 0.286 213 G HA3 0.025 3.985 3.960 0.000 0.000 0.286 213 G C 1.660 176.223 174.900 -0.562 0.000 1.212 213 G CA 1.320 46.192 45.100 -0.381 0.000 0.979 213 G HN 2.340 nan 8.290 nan 0.000 0.557 214 S N 0.375 115.563 115.700 -0.854 0.000 2.650 214 S HA 0.259 4.729 4.470 0.000 0.000 0.219 214 S C 1.006 175.471 174.600 -0.226 0.000 0.960 214 S CA 0.765 58.661 58.200 -0.507 0.000 0.925 214 S CB 0.023 62.920 63.200 -0.505 0.000 0.775 214 S HN 0.734 nan 8.310 nan 0.000 0.525 215 R N 1.866 122.232 120.500 -0.223 0.000 2.537 215 R HA 0.232 4.572 4.340 0.000 0.000 0.280 215 R C 0.092 176.331 176.300 -0.103 0.000 1.058 215 R CA 0.326 56.326 56.100 -0.167 0.000 1.057 215 R CB -0.104 30.105 30.300 -0.150 0.000 0.973 215 R HN 0.449 nan 8.270 nan 0.000 0.438 216 E N -0.644 119.516 120.200 -0.067 0.000 3.293 216 E HA -0.151 4.199 4.350 0.000 0.000 0.316 216 E C -0.767 175.853 176.600 0.034 0.000 0.881 216 E CA 0.168 56.576 56.400 0.013 0.000 1.096 216 E CB -1.321 28.382 29.700 0.005 0.000 1.543 216 E HN 0.569 nan 8.360 nan 0.000 0.406 217 S N 0.269 115.985 115.700 0.027 0.000 2.624 217 S HA 0.208 4.678 4.470 0.000 0.000 0.263 217 S C 1.239 175.885 174.600 0.076 0.000 1.287 217 S CA -0.532 57.708 58.200 0.067 0.000 0.990 217 S CB 0.746 64.022 63.200 0.126 0.000 0.950 217 S HN 0.210 nan 8.310 nan 0.000 0.561 218 N N 0.003 118.745 118.700 0.071 0.000 2.142 218 N HA 0.036 4.776 4.740 0.000 0.000 0.186 218 N C -0.162 175.379 175.510 0.051 0.000 1.023 218 N CA 0.765 53.837 53.050 0.036 0.000 0.852 218 N CB -0.270 38.241 38.487 0.039 0.000 0.998 218 N HN 0.365 nan 8.380 nan 0.000 0.424 219 L N -0.153 121.118 121.223 0.081 0.000 2.441 219 L HA 0.476 4.816 4.340 0.000 0.000 0.270 219 L C -1.271 175.666 176.870 0.113 0.000 0.973 219 L CA -0.358 54.544 54.840 0.103 0.000 0.842 219 L CB 1.897 44.012 42.059 0.094 0.000 1.239 219 L HN -0.236 nan 8.230 nan 0.000 0.406 220 S N 6.356 122.139 115.700 0.138 0.000 2.519 220 S HA 0.711 5.182 4.470 0.000 0.000 0.309 220 S C -0.736 173.946 174.600 0.136 0.000 1.100 220 S CA -0.496 57.779 58.200 0.124 0.000 1.059 220 S CB 1.309 64.552 63.200 0.073 0.000 1.008 220 S HN 0.420 nan 8.310 nan 0.000 0.478 221 I N 3.788 124.421 120.570 0.105 0.000 2.382 221 I HA 0.411 4.581 4.170 0.000 0.000 0.286 221 I C -0.023 176.143 176.117 0.081 0.000 1.002 221 I CA -0.429 60.925 61.300 0.090 0.000 1.135 221 I CB 1.322 39.359 38.000 0.061 0.000 1.288 221 I HN 0.510 nan 8.210 nan 0.000 0.448 222 R N 4.617 125.167 120.500 0.083 0.000 2.409 222 R HA 0.613 4.953 4.340 0.000 0.000 0.313 222 R C 0.539 176.880 176.300 0.069 0.000 0.953 222 R CA -0.540 55.600 56.100 0.068 0.000 0.849 222 R CB 1.859 32.189 30.300 0.050 0.000 1.171 222 R HN 0.746 nan 8.270 nan 0.000 0.458 223 A N 1.163 124.025 122.820 0.069 0.000 2.860 223 A HA -0.211 4.109 4.320 0.000 0.000 0.267 223 A C 0.125 177.802 177.584 0.154 0.000 1.421 223 A CA 0.783 52.876 52.037 0.093 0.000 0.831 223 A CB -2.301 16.742 19.000 0.073 0.000 1.041 223 A HN 0.711 nan 8.150 nan 0.000 0.623 224 C N 0.341 119.718 119.300 0.129 0.000 2.398 224 C HA 0.668 5.128 4.460 0.000 0.000 0.364 224 C C 0.657 175.780 174.990 0.221 0.000 1.219 224 C CA -0.448 58.667 59.018 0.163 0.000 2.312 224 C CB 0.377 28.165 27.740 0.079 0.000 2.428 224 C HN 0.604 nan 8.230 nan 0.000 0.564 225 H N 2.365 121.443 119.070 0.013 0.000 2.495 225 H HA 0.261 4.817 4.556 0.000 0.000 0.348 225 H C -0.555 174.790 175.328 0.029 0.000 1.113 225 H CA -0.420 55.647 56.048 0.031 0.000 1.195 225 H CB 1.138 30.932 29.762 0.053 0.000 1.521 225 H HN 0.785 nan 8.280 nan 0.000 0.509 226 N N 1.289 120.065 118.700 0.127 0.000 2.643 226 N HA -0.152 4.588 4.740 0.000 0.000 0.267 226 N C -1.220 174.299 175.510 0.015 0.000 1.158 226 N CA 0.254 53.388 53.050 0.141 0.000 0.684 226 N CB -1.388 37.256 38.487 0.262 0.000 0.879 226 N HN 0.218 nan 8.380 nan 0.000 0.553 227 V N 1.771 121.624 119.914 -0.101 0.000 2.487 227 V HA 0.473 4.593 4.120 0.000 0.000 0.298 227 V C -0.444 175.573 176.094 -0.129 0.000 1.028 227 V CA -0.655 61.591 62.300 -0.091 0.000 0.860 227 V CB 1.340 33.134 31.823 -0.048 0.000 0.991 227 V HN 0.252 nan 8.190 nan 0.000 0.427 228 Y N 4.925 125.259 120.300 0.057 0.000 2.328 228 Y HA 0.678 5.228 4.550 0.000 0.000 0.333 228 Y C -0.042 175.949 175.900 0.152 0.000 0.958 228 Y CA -0.927 57.293 58.100 0.199 0.000 1.167 228 Y CB 1.592 40.220 38.460 0.280 0.000 1.151 228 Y HN 0.462 nan 8.280 nan 0.000 0.470 229 I N 4.545 125.257 120.570 0.237 0.000 2.410 229 I HA 0.540 4.710 4.170 0.000 0.000 0.286 229 I C -0.493 175.700 176.117 0.126 0.000 1.009 229 I CA -0.647 60.736 61.300 0.139 0.000 1.111 229 I CB 1.709 39.758 38.000 0.083 0.000 1.262 229 I HN 0.489 nan 8.210 nan 0.000 0.443 230 R N 5.401 125.946 120.500 0.075 0.000 2.574 230 R HA 0.318 4.658 4.340 0.000 0.000 0.288 230 R C -0.948 175.347 176.300 -0.009 0.000 1.004 230 R CA -0.348 55.794 56.100 0.070 0.000 0.895 230 R CB 1.133 31.500 30.300 0.113 0.000 1.191 230 R HN 0.596 nan 8.270 nan 0.000 0.444 231 D N 3.445 123.852 120.400 0.011 0.000 2.708 231 D HA -0.173 4.467 4.640 0.000 0.000 0.236 231 D C -0.523 175.717 176.300 -0.100 0.000 1.146 231 D CA 1.048 55.044 54.000 -0.007 0.000 0.662 231 D CB -0.401 40.410 40.800 0.019 0.000 1.059 231 D HN 0.272 nan 8.370 nan 0.000 0.428 232 I N 0.807 121.298 120.570 -0.132 0.000 2.359 232 I HA 0.236 4.406 4.170 0.000 0.000 0.294 232 I C 0.796 176.876 176.117 -0.062 0.000 0.987 232 I CA -0.402 60.762 61.300 -0.226 0.000 1.225 232 I CB 1.651 39.473 38.000 -0.297 0.000 1.366 232 I HN -0.035 nan 8.210 nan 0.000 0.466 233 E N 4.855 125.042 120.200 -0.021 0.000 2.133 233 E HA 0.642 4.992 4.350 0.000 0.000 0.274 233 E C -1.194 175.436 176.600 0.050 0.000 0.930 233 E CA -0.681 55.746 56.400 0.045 0.000 0.770 233 E CB 1.621 31.369 29.700 0.080 0.000 1.104 233 E HN 0.737 nan 8.360 nan 0.000 0.403 234 A N 4.431 127.279 122.820 0.046 0.000 2.273 234 A HA 0.551 4.871 4.320 0.000 0.000 0.315 234 A C -1.056 176.562 177.584 0.057 0.000 1.256 234 A CA -0.577 51.490 52.037 0.050 0.000 0.851 234 A CB 1.258 20.280 19.000 0.036 0.000 1.172 234 A HN 0.431 nan 8.150 nan 0.000 0.508 235 V N 2.147 122.096 119.914 0.057 0.000 2.823 235 V HA 0.432 4.552 4.120 0.000 0.000 0.312 235 V C -0.065 176.058 176.094 0.049 0.000 1.072 235 V CA -0.008 62.320 62.300 0.046 0.000 0.937 235 V CB 1.810 33.662 31.823 0.047 0.000 1.013 235 V HN 1.102 nan 8.190 nan 0.000 0.430 236 D N 2.351 122.771 120.400 0.032 0.000 2.735 236 D HA -0.183 4.457 4.640 0.000 0.000 0.235 236 D C -0.160 176.179 176.300 0.065 0.000 1.175 236 D CA 0.563 54.583 54.000 0.034 0.000 0.683 236 D CB -0.711 40.110 40.800 0.034 0.000 1.008 236 D HN 0.640 nan 8.370 nan 0.000 0.416 237 C N 0.233 119.588 119.300 0.091 0.000 2.401 237 C HA 0.448 4.908 4.460 0.000 0.000 0.365 237 C C 2.215 177.266 174.990 0.102 0.000 1.250 237 C CA -0.600 58.486 59.018 0.113 0.000 2.131 237 C CB 1.049 28.883 27.740 0.157 0.000 2.445 237 C HN 0.473 nan 8.230 nan 0.000 0.550 238 T N 1.439 116.046 114.554 0.088 0.000 2.732 238 T HA -0.098 4.252 4.350 0.000 0.000 0.261 238 T C 1.354 176.071 174.700 0.029 0.000 1.040 238 T CA 1.339 63.474 62.100 0.057 0.000 1.145 238 T CB -0.140 68.761 68.868 0.055 0.000 0.866 238 T HN 0.602 nan 8.240 nan 0.000 0.427 239 L N -0.260 120.959 121.223 -0.008 0.000 2.714 239 L HA 0.372 4.712 4.340 0.000 0.000 0.184 239 L C 0.465 177.270 176.870 -0.108 0.000 1.317 239 L CA 0.340 55.094 54.840 -0.142 0.000 2.279 239 L CB -0.104 41.791 42.059 -0.273 0.000 2.140 239 L HN 0.208 nan 8.230 nan 0.000 1.029 240 H N -0.915 118.205 119.070 0.084 0.000 2.508 240 H HA 0.346 4.902 4.556 0.000 0.000 0.344 240 H C 0.701 176.016 175.328 -0.022 0.000 1.192 240 H CA -0.018 56.025 56.048 -0.010 0.000 1.290 240 H CB 0.751 30.499 29.762 -0.023 0.000 1.571 240 H HN 0.524 nan 8.280 nan 0.000 0.555 241 G N 0.637 109.436 108.800 -0.002 0.000 2.454 241 G HA2 0.028 3.988 3.960 0.000 0.000 0.214 241 G HA3 0.028 3.988 3.960 0.000 0.000 0.214 241 G C 0.444 175.353 174.900 0.016 0.000 1.217 241 G CA 0.320 45.416 45.100 -0.008 0.000 0.799 241 G HN 0.492 nan 8.290 nan 0.000 0.538 242 I N 0.641 121.193 120.570 -0.030 0.000 2.447 242 I HA 0.331 4.501 4.170 0.000 0.000 0.287 242 I C -1.789 174.322 176.117 -0.011 0.000 1.023 242 I CA -0.731 60.568 61.300 -0.001 0.000 1.083 242 I CB 2.435 40.423 38.000 -0.020 0.000 1.245 242 I HN -0.020 nan 8.210 nan 0.000 0.434 243 D N 7.475 127.910 120.400 0.058 0.000 2.492 243 D HA 0.440 5.080 4.640 0.000 0.000 0.248 243 D C -1.028 175.328 176.300 0.093 0.000 1.101 243 D CA -0.356 53.692 54.000 0.079 0.000 0.840 243 D CB 1.532 42.481 40.800 0.249 0.000 1.209 243 D HN 0.123 nan 8.370 nan 0.000 0.524 244 I N 3.029 123.638 120.570 0.065 0.000 2.339 244 I HA 0.413 4.583 4.170 0.000 0.000 0.290 244 I C 0.694 176.888 176.117 0.128 0.000 0.994 244 I CA -0.438 60.896 61.300 0.056 0.000 1.191 244 I CB 0.633 38.621 38.000 -0.020 0.000 1.343 244 I HN 0.350 nan 8.210 nan 0.000 0.458 245 T N 5.167 119.803 114.554 0.137 0.000 2.812 245 T HA 0.522 4.872 4.350 0.000 0.000 0.294 245 T C 0.063 174.836 174.700 0.122 0.000 1.159 245 T CA -0.391 61.825 62.100 0.193 0.000 1.008 245 T CB 1.230 70.252 68.868 0.257 0.000 1.289 245 T HN 0.792 nan 8.240 nan 0.000 0.514 246 C N 0.660 120.045 119.300 0.142 0.000 2.641 246 C HA 0.882 5.342 4.460 0.000 0.000 0.318 246 C C 1.490 176.500 174.990 0.033 0.000 1.490 246 C CA -0.318 58.744 59.018 0.073 0.000 2.260 246 C CB -1.294 26.475 27.740 0.049 0.000 2.103 246 C HN 1.039 nan 8.230 nan 0.000 0.641 247 G N -0.388 108.419 108.800 0.012 0.000 2.491 247 G HA2 0.541 4.501 3.960 0.000 0.000 0.242 247 G HA3 0.541 4.501 3.960 0.000 0.000 0.242 247 G C 0.422 175.300 174.900 -0.037 0.000 1.266 247 G CA 0.564 45.663 45.100 -0.002 0.000 0.844 247 G HN 2.452 nan 8.290 nan 0.000 0.571 248 G N 0.055 108.829 108.800 -0.044 0.000 2.697 248 G HA2 -0.089 3.871 3.960 0.000 0.000 0.686 248 G HA3 -0.089 3.871 3.960 0.000 0.000 0.686 248 G C 0.572 175.398 174.900 -0.124 0.000 1.179 248 G CA -0.247 44.807 45.100 -0.076 0.000 0.765 248 G HN 0.832 nan 8.290 nan 0.000 0.649 249 L N 0.238 121.375 121.223 -0.143 0.000 2.109 249 L HA 0.110 4.450 4.340 0.000 0.000 0.207 249 L C 1.200 177.885 176.870 -0.308 0.000 1.086 249 L CA 0.771 55.486 54.840 -0.208 0.000 0.760 249 L CB -0.279 41.676 42.059 -0.172 0.000 0.910 249 L HN 0.511 nan 8.230 nan 0.000 0.437 250 D N -1.010 119.242 120.400 -0.248 0.000 2.313 250 D HA 0.152 4.792 4.640 0.000 0.000 0.247 250 D C -0.564 175.537 176.300 -0.331 0.000 1.094 250 D CA -0.081 53.756 54.000 -0.272 0.000 0.925 250 D CB 0.632 41.359 40.800 -0.122 0.000 1.188 250 D HN -0.064 nan 8.370 nan 0.000 0.430 251 Y N 1.161 121.361 120.300 -0.167 0.000 2.335 251 Y HA 0.225 4.775 4.550 0.000 0.000 0.331 251 Y C -1.409 174.177 175.900 -0.524 0.000 1.094 251 Y CA -1.787 56.116 58.100 -0.328 0.000 1.253 251 Y CB 0.693 38.937 38.460 -0.359 0.000 1.203 251 Y HN 0.077 nan 8.280 nan 0.000 0.508 252 P HA 0.119 nan 4.420 nan 0.000 0.284 252 P C -1.539 175.443 177.300 -0.529 0.000 1.253 252 P CA -0.338 62.531 63.100 -0.384 0.000 0.800 252 P CB 0.683 32.162 31.700 -0.368 0.000 0.961 253 Y N 2.007 122.334 120.300 0.045 0.000 2.805 253 Y HA 0.307 4.857 4.550 0.000 0.000 0.339 253 Y C 1.123 177.057 175.900 0.057 0.000 1.012 253 Y CA -0.394 57.756 58.100 0.083 0.000 1.262 253 Y CB 0.814 39.317 38.460 0.073 0.000 1.100 253 Y HN 0.117 nan 8.280 nan 0.000 0.559 254 L N 1.976 123.282 121.223 0.139 0.000 2.640 254 L HA 0.473 4.813 4.340 0.000 0.000 0.230 254 L C 0.944 177.878 176.870 0.105 0.000 1.123 254 L CA 0.126 55.019 54.840 0.088 0.000 0.900 254 L CB -0.039 42.038 42.059 0.030 0.000 1.146 254 L HN 0.777 nan 8.230 nan 0.000 0.484 255 G N 0.595 109.488 108.800 0.154 0.000 2.662 255 G HA2 -0.200 3.760 3.960 0.000 0.000 0.686 255 G HA3 -0.200 3.760 3.960 0.000 0.000 0.686 255 G C -0.950 174.038 174.900 0.147 0.000 1.271 255 G CA -0.824 44.362 45.100 0.144 0.000 0.816 255 G HN 0.104 nan 8.290 nan 0.000 0.608 256 D N 0.021 120.513 120.400 0.154 0.000 2.423 256 D HA 0.516 5.156 4.640 0.000 0.000 0.238 256 D C 1.605 177.938 176.300 0.055 0.000 1.142 256 D CA 1.915 55.986 54.000 0.119 0.000 0.884 256 D CB 0.504 41.364 40.800 0.100 0.000 1.199 256 D HN 2.088 nan 8.370 nan 0.000 0.438 257 G N 1.777 110.586 108.800 0.015 0.000 2.136 257 G HA2 -0.210 3.750 3.960 0.000 0.000 0.242 257 G HA3 -0.210 3.750 3.960 0.000 0.000 0.242 257 G C 0.412 175.314 174.900 0.003 0.000 0.989 257 G CA 0.764 45.852 45.100 -0.020 0.000 0.682 257 G HN 0.888 nan 8.290 nan 0.000 0.522 258 T N -2.487 112.089 114.554 0.037 0.000 2.949 258 T HA 0.772 5.122 4.350 0.000 0.000 0.287 258 T C -0.105 174.636 174.700 0.068 0.000 1.034 258 T CA 0.217 62.344 62.100 0.045 0.000 1.018 258 T CB 2.551 71.450 68.868 0.052 0.000 1.135 258 T HN 1.331 nan 8.240 nan 0.000 0.532 259 T N -0.454 114.135 114.554 0.058 0.000 2.881 259 T HA 0.658 5.008 4.350 0.000 0.000 0.291 259 T C -0.058 174.662 174.700 0.034 0.000 0.990 259 T CA -0.561 61.584 62.100 0.075 0.000 0.976 259 T CB 0.626 69.545 68.868 0.085 0.000 0.970 259 T HN 1.114 nan 8.240 nan 0.000 0.438 260 A N 6.372 129.201 122.820 0.016 0.000 2.407 260 A HA 0.657 4.977 4.320 0.000 0.000 0.248 260 A C -1.906 175.653 177.584 -0.041 0.000 1.082 260 A CA -1.144 50.840 52.037 -0.088 0.000 0.785 260 A CB -0.389 18.413 19.000 -0.330 0.000 1.020 260 A HN 0.804 nan 8.150 nan 0.000 0.489 261 P HA 0.114 nan 4.420 nan 0.000 0.272 261 P C -0.674 176.623 177.300 -0.005 0.000 1.230 261 P CA -0.301 62.790 63.100 -0.015 0.000 0.788 261 P CB 0.245 31.935 31.700 -0.017 0.000 0.949 262 N N -2.090 116.625 118.700 0.024 0.000 2.708 262 N HA -0.091 4.649 4.740 0.000 0.000 0.255 262 N C -2.159 173.383 175.510 0.054 0.000 1.046 262 N CA 0.335 53.414 53.050 0.049 0.000 0.715 262 N CB -1.653 36.854 38.487 0.032 0.000 0.895 262 N HN 0.430 nan 8.380 nan 0.000 0.545 263 P HA 0.098 nan 4.420 nan 0.000 0.272 263 P C 0.162 177.456 177.300 -0.010 0.000 1.230 263 P CA -0.017 63.086 63.100 0.005 0.000 0.788 263 P CB 0.695 32.361 31.700 -0.056 0.000 0.949 264 S N 0.408 116.084 115.700 -0.039 0.000 2.592 264 S HA 0.233 4.703 4.470 0.000 0.000 0.271 264 S C 0.095 174.551 174.600 -0.241 0.000 1.326 264 S CA -0.143 58.002 58.200 -0.092 0.000 1.024 264 S CB 0.205 63.376 63.200 -0.049 0.000 0.921 264 S HN 0.515 nan 8.310 nan 0.000 0.527 265 E N 1.166 121.154 120.200 -0.353 0.000 2.352 265 E HA 0.309 4.659 4.350 0.000 0.000 0.280 265 E C -1.265 175.219 176.600 -0.194 0.000 0.930 265 E CA -0.628 55.553 56.400 -0.366 0.000 0.765 265 E CB 0.816 30.153 29.700 -0.605 0.000 1.219 265 E HN 0.565 nan 8.360 nan 0.000 0.434 266 N N 3.471 122.137 118.700 -0.057 0.000 2.573 266 N HA -0.133 4.607 4.740 0.000 0.000 0.275 266 N C -1.778 173.653 175.510 -0.132 0.000 1.208 266 N CA 0.664 53.699 53.050 -0.026 0.000 0.688 266 N CB -0.714 37.836 38.487 0.105 0.000 0.882 266 N HN 0.442 nan 8.380 nan 0.000 0.548 267 I N 1.565 121.973 120.570 -0.270 0.000 2.545 267 I HA 0.446 4.616 4.170 0.000 0.000 0.292 267 I C -0.178 175.696 176.117 -0.406 0.000 1.040 267 I CA -0.443 60.707 61.300 -0.251 0.000 1.068 267 I CB 1.093 38.989 38.000 -0.175 0.000 1.251 267 I HN 0.292 nan 8.210 nan 0.000 0.424 268 W N 6.484 127.617 121.300 -0.279 0.000 2.619 268 W HA 0.640 5.300 4.660 0.000 0.000 0.327 268 W C -0.500 175.992 176.519 -0.044 0.000 1.027 268 W CA -0.317 56.943 57.345 -0.142 0.000 1.233 268 W CB 1.522 30.904 29.460 -0.131 0.000 1.370 268 W HN 0.173 nan 8.180 nan 0.000 0.453 269 I N 3.830 124.497 120.570 0.162 0.000 2.411 269 I HA 0.334 4.504 4.170 0.000 0.000 0.284 269 I C -0.386 175.834 176.117 0.172 0.000 1.012 269 I CA -0.769 60.615 61.300 0.140 0.000 1.119 269 I CB 1.212 39.264 38.000 0.086 0.000 1.261 269 I HN 0.346 nan 8.210 nan 0.000 0.448 270 E N 5.917 126.222 120.200 0.175 0.000 2.292 270 E HA 0.369 4.719 4.350 0.000 0.000 0.272 270 E C -0.654 176.026 176.600 0.133 0.000 0.881 270 E CA -0.897 55.604 56.400 0.168 0.000 0.754 270 E CB 1.689 31.505 29.700 0.192 0.000 1.201 270 E HN 0.497 nan 8.360 nan 0.000 0.425 271 N N 0.428 119.207 118.700 0.132 0.000 2.735 271 N HA -0.160 4.580 4.740 0.000 0.000 0.248 271 N C -0.791 174.787 175.510 0.114 0.000 1.083 271 N CA 0.679 53.799 53.050 0.118 0.000 0.703 271 N CB -1.522 37.020 38.487 0.093 0.000 1.005 271 N HN 0.396 nan 8.380 nan 0.000 0.550 272 C N 0.494 119.873 119.300 0.132 0.000 2.358 272 C HA 0.555 5.015 4.460 0.000 0.000 0.354 272 C C 1.017 176.098 174.990 0.153 0.000 1.183 272 C CA -0.659 58.423 59.018 0.106 0.000 2.150 272 C CB 1.977 29.761 27.740 0.074 0.000 2.361 272 C HN 0.333 nan 8.230 nan 0.000 0.535 273 E N 0.583 120.858 120.200 0.125 0.000 2.248 273 E HA 0.671 5.021 4.350 0.000 0.000 0.267 273 E C -1.292 175.345 176.600 0.062 0.000 0.877 273 E CA -0.350 56.143 56.400 0.155 0.000 0.759 273 E CB 1.689 31.523 29.700 0.223 0.000 1.182 273 E HN 0.857 nan 8.360 nan 0.000 0.418 274 A N 2.964 125.786 122.820 0.003 0.000 2.374 274 A HA 0.698 5.018 4.320 0.000 0.000 0.305 274 A C -0.811 176.764 177.584 -0.015 0.000 1.053 274 A CA -0.455 51.570 52.037 -0.021 0.000 0.726 274 A CB 2.184 21.089 19.000 -0.159 0.000 1.229 274 A HN 0.487 nan 8.150 nan 0.000 0.431 275 T N 0.049 114.617 114.554 0.023 0.000 2.821 275 T HA 0.560 4.910 4.350 0.000 0.000 0.306 275 T C 0.540 175.157 174.700 -0.138 0.000 1.313 275 T CA 0.898 62.857 62.100 -0.235 0.000 1.012 275 T CB 1.076 69.501 68.868 -0.737 0.000 1.298 275 T HN 2.535 nan 8.240 nan 0.000 0.502 276 G N 2.389 110.951 108.800 -0.397 0.000 2.273 276 G HA2 -0.197 3.763 3.960 0.000 0.000 0.280 276 G HA3 -0.197 3.763 3.960 0.000 0.000 0.280 276 G C -0.097 174.697 174.900 -0.176 0.000 1.047 276 G CA 0.804 45.736 45.100 -0.281 0.000 0.869 276 G HN 0.985 nan 8.290 nan 0.000 0.502 277 F N -2.218 117.706 119.950 -0.044 0.000 2.408 277 F HA 0.753 5.280 4.527 0.000 0.000 0.325 277 F C 1.257 177.063 175.800 0.011 0.000 1.082 277 F CA -1.152 56.840 58.000 -0.012 0.000 1.032 277 F CB 0.755 39.752 39.000 -0.005 0.000 1.259 277 F HN 0.009 nan 8.300 nan 0.000 0.503 278 G N -0.747 108.192 108.800 0.231 0.000 2.539 278 G HA2 -0.034 3.926 3.960 0.000 0.000 0.215 278 G HA3 -0.034 3.926 3.960 0.000 0.000 0.215 278 G C 0.501 175.527 174.900 0.210 0.000 1.141 278 G CA 0.774 45.958 45.100 0.139 0.000 0.806 278 G HN 0.666 nan 8.290 nan 0.000 0.533 279 D N -0.574 120.011 120.400 0.309 0.000 3.051 279 D HA 0.124 4.764 4.640 0.000 0.000 0.216 279 D C -0.584 175.999 176.300 0.472 0.000 1.454 279 D CA 0.004 54.196 54.000 0.321 0.000 1.400 279 D CB 0.657 41.564 40.800 0.179 0.000 0.975 279 D HN -0.017 nan 8.370 nan 0.000 0.212 280 D N -0.823 119.794 120.400 0.361 0.000 2.350 280 D HA 0.426 5.066 4.640 0.000 0.000 0.238 280 D C 0.748 176.395 176.300 -1.089 0.000 0.989 280 D CA -0.577 53.300 54.000 -0.205 0.000 0.921 280 D CB 1.959 42.670 40.800 -0.147 0.000 1.297 280 D HN 0.320 nan 8.370 nan 0.000 0.490 281 G N 0.476 108.280 108.800 -1.661 0.000 2.454 281 G HA2 0.060 4.020 3.960 0.000 0.000 0.214 281 G HA3 0.060 4.020 3.960 0.000 0.000 0.214 281 G C 0.581 175.044 174.900 -0.729 0.000 1.217 281 G CA 0.477 44.655 45.100 -1.537 0.000 0.799 281 G HN 0.477 nan 8.290 nan 0.000 0.538 282 I N 0.085 120.260 120.570 -0.660 0.000 2.499 282 I HA 0.461 4.631 4.170 0.000 0.000 0.288 282 I C -0.773 175.149 176.117 -0.325 0.000 1.048 282 I CA -0.387 60.677 61.300 -0.394 0.000 1.062 282 I CB 2.682 40.511 38.000 -0.286 0.000 1.238 282 I HN 0.052 nan 8.210 nan 0.000 0.426 283 T N 3.430 117.805 114.554 -0.298 0.000 2.900 283 T HA 0.670 5.020 4.350 0.000 0.000 0.303 283 T C -0.800 173.718 174.700 -0.304 0.000 1.142 283 T CA -0.403 61.479 62.100 -0.362 0.000 1.007 283 T CB 1.701 70.220 68.868 -0.582 0.000 1.156 283 T HN 0.711 nan 8.240 nan 0.000 0.490 284 T N 1.135 115.451 114.554 -0.397 0.000 2.863 284 T HA 0.769 5.119 4.350 0.000 0.000 0.285 284 T C -1.259 173.100 174.700 -0.567 0.000 1.009 284 T CA -0.709 61.195 62.100 -0.327 0.000 0.989 284 T CB 1.203 69.920 68.868 -0.252 0.000 1.004 284 T HN 0.719 nan 8.240 nan 0.000 0.455 285 H N 0.741 119.695 119.070 -0.194 0.000 2.771 285 H HA 0.481 5.037 4.556 0.000 0.000 0.361 285 H C -0.201 175.027 175.328 -0.167 0.000 1.108 285 H CA -0.647 55.239 56.048 -0.269 0.000 1.201 285 H CB 0.839 30.514 29.762 -0.146 0.000 1.681 285 H HN 0.850 nan 8.280 nan 0.000 0.534 286 H N 0.335 119.389 119.070 -0.027 0.000 2.690 286 H HA -0.143 4.413 4.556 0.000 0.000 0.309 286 H C -0.575 174.695 175.328 -0.096 0.000 1.138 286 H CA 1.037 57.052 56.048 -0.054 0.000 1.142 286 H CB -1.428 28.330 29.762 -0.007 0.000 1.410 286 H HN 0.510 nan 8.280 nan 0.000 0.409 287 S N -0.090 115.541 115.700 -0.115 0.000 2.651 287 S HA 0.632 5.102 4.470 0.000 0.000 0.279 287 S C -0.172 174.247 174.600 -0.301 0.000 1.148 287 S CA -0.938 57.159 58.200 -0.171 0.000 0.837 287 S CB 3.407 66.530 63.200 -0.127 0.000 1.138 287 S HN 0.455 nan 8.310 nan 0.000 0.478 288 Q N -0.262 119.315 119.800 -0.371 0.000 2.482 288 Q HA 0.619 4.959 4.340 0.000 0.000 0.286 288 Q C -1.643 174.073 176.000 -0.474 0.000 1.007 288 Q CA -1.121 54.365 55.803 -0.528 0.000 0.801 288 Q CB 1.110 29.375 28.738 -0.788 0.000 1.455 288 Q HN 0.797 nan 8.270 nan 0.000 0.398 289 Y N -0.200 120.027 120.300 -0.121 0.000 3.016 289 Y HA -0.166 4.384 4.550 0.000 0.000 0.152 289 Y C -0.935 174.776 175.900 -0.315 0.000 1.832 289 Y CA -0.223 57.768 58.100 -0.182 0.000 0.998 289 Y CB -1.696 36.677 38.460 -0.145 0.000 1.507 289 Y HN 0.502 nan 8.280 nan 0.000 0.378 290 I N 1.807 122.244 120.570 -0.221 0.000 2.498 290 I HA 0.335 4.505 4.170 0.000 0.000 0.290 290 I C -0.219 175.657 176.117 -0.400 0.000 1.032 290 I CA -0.683 60.414 61.300 -0.339 0.000 1.073 290 I CB 1.860 39.714 38.000 -0.244 0.000 1.251 290 I HN 0.312 nan 8.210 nan 0.000 0.426 291 N N 7.185 125.541 118.700 -0.573 0.000 2.392 291 N HA 0.572 5.312 4.740 0.000 0.000 0.283 291 N C -1.114 174.288 175.510 -0.181 0.000 1.003 291 N CA -0.477 52.315 53.050 -0.430 0.000 0.892 291 N CB 2.502 40.573 38.487 -0.693 0.000 1.193 291 N HN 0.406 nan 8.380 nan 0.000 0.487 292 I N 3.945 124.459 120.570 -0.094 0.000 2.382 292 I HA 0.375 4.545 4.170 0.000 0.000 0.285 292 I C -0.659 175.468 176.117 0.017 0.000 1.007 292 I CA -0.438 60.863 61.300 0.002 0.000 1.142 292 I CB 1.134 39.146 38.000 0.019 0.000 1.289 292 I HN 0.237 nan 8.210 nan 0.000 0.453 293 L N 6.555 127.830 121.223 0.086 0.000 2.385 293 L HA 0.511 4.851 4.340 0.000 0.000 0.273 293 L C -0.125 176.809 176.870 0.106 0.000 0.990 293 L CA -0.872 54.021 54.840 0.087 0.000 0.821 293 L CB 1.642 43.782 42.059 0.135 0.000 1.279 293 L HN 0.595 nan 8.230 nan 0.000 0.412 294 N N 0.204 118.951 118.700 0.078 0.000 2.735 294 N HA -0.168 4.572 4.740 0.000 0.000 0.248 294 N C -0.478 175.121 175.510 0.148 0.000 1.083 294 N CA 0.556 53.658 53.050 0.088 0.000 0.703 294 N CB -1.742 36.792 38.487 0.079 0.000 1.005 294 N HN 0.498 nan 8.380 nan 0.000 0.550 295 C N 0.125 119.558 119.300 0.221 0.000 2.335 295 C HA 0.572 5.032 4.460 0.000 0.000 0.363 295 C C 0.538 175.834 174.990 0.511 0.000 1.198 295 C CA -0.728 58.501 59.018 0.352 0.000 2.279 295 C CB 0.794 28.800 27.740 0.444 0.000 2.334 295 C HN 0.397 nan 8.230 nan 0.000 0.559 296 Y N 1.008 121.487 120.300 0.298 0.000 2.326 296 Y HA 0.520 5.070 4.550 0.000 0.000 0.329 296 Y C -0.365 175.714 175.900 0.297 0.000 0.973 296 Y CA -0.665 57.610 58.100 0.292 0.000 1.162 296 Y CB 1.166 39.732 38.460 0.177 0.000 1.147 296 Y HN 0.677 nan 8.280 nan 0.000 0.456 297 S N 6.440 122.230 115.700 0.150 0.000 2.498 297 S HA 0.593 5.063 4.470 0.000 0.000 0.317 297 S C -1.469 173.147 174.600 0.027 0.000 1.090 297 S CA -0.565 57.571 58.200 -0.107 0.000 1.089 297 S CB 0.445 63.304 63.200 -0.569 0.000 0.997 297 S HN 0.849 nan 8.310 nan 0.000 0.470 298 H N -0.786 118.204 119.070 -0.134 0.000 3.046 298 H HA 0.578 5.134 4.556 0.000 0.000 0.361 298 H C -1.546 173.714 175.328 -0.113 0.000 1.235 298 H CA -1.115 54.855 56.048 -0.129 0.000 1.146 298 H CB 0.620 30.158 29.762 -0.373 0.000 1.859 298 H HN 0.352 nan 8.280 nan 0.000 0.548 299 D N 1.312 121.676 120.400 -0.059 0.000 3.133 299 D HA -0.106 4.534 4.640 0.000 0.000 0.239 299 D C -2.337 173.680 176.300 -0.471 0.000 1.136 299 D CA 0.375 54.285 54.000 -0.151 0.000 0.898 299 D CB -0.638 40.122 40.800 -0.067 0.000 0.959 299 D HN 0.511 nan 8.370 nan 0.000 0.415 300 P HA 0.054 nan 4.420 nan 0.000 0.272 300 P C 1.012 178.110 177.300 -0.338 0.000 1.230 300 P CA -0.193 62.417 63.100 -0.817 0.000 0.788 300 P CB 0.895 32.401 31.700 -0.324 0.000 0.949 301 R N 0.177 120.505 120.500 -0.286 0.000 2.090 301 R HA 0.084 4.424 4.340 0.000 0.000 0.228 301 R C 0.911 177.156 176.300 -0.091 0.000 1.110 301 R CA 0.883 56.896 56.100 -0.145 0.000 0.973 301 R CB -0.315 29.924 30.300 -0.101 0.000 0.869 301 R HN 0.447 nan 8.270 nan 0.000 0.440 302 L N -0.892 120.305 121.223 -0.043 0.000 2.335 302 L HA 0.326 4.666 4.340 0.000 0.000 0.268 302 L C 0.770 177.644 176.870 0.008 0.000 1.016 302 L CA -0.551 54.277 54.840 -0.019 0.000 0.805 302 L CB 1.612 43.685 42.059 0.023 0.000 1.311 302 L HN 0.009 nan 8.230 nan 0.000 0.456 303 T N -3.181 111.340 114.554 -0.056 0.000 3.339 303 T HA 0.544 4.894 4.350 0.000 0.000 0.292 303 T C 0.160 174.908 174.700 0.081 0.000 1.012 303 T CA -0.072 61.916 62.100 -0.186 0.000 0.937 303 T CB 0.498 69.070 68.868 -0.494 0.000 1.164 303 T HN 0.581 nan 8.240 nan 0.000 0.509 304 A N 2.197 125.104 122.820 0.146 0.000 3.337 304 A HA 0.592 4.912 4.320 0.000 0.000 0.173 304 A C 0.816 178.460 177.584 0.098 0.000 1.986 304 A CA -0.563 51.528 52.037 0.091 0.000 0.954 304 A CB -0.351 18.691 19.000 0.070 0.000 1.899 304 A HN 0.366 nan 8.150 nan 0.000 0.732 305 N N -0.212 118.527 118.700 0.064 0.000 3.103 305 N HA 0.159 4.899 4.740 0.000 0.000 0.305 305 N C -1.313 174.317 175.510 0.199 0.000 1.232 305 N CA -0.006 53.094 53.050 0.083 0.000 1.190 305 N CB -0.932 37.620 38.487 0.108 0.000 1.461 305 N HN 0.421 nan 8.380 nan 0.000 0.538 306 C N 2.342 121.786 119.300 0.240 0.000 2.225 306 C HA 0.474 4.934 4.460 0.000 0.000 0.323 306 C C -0.205 174.922 174.990 0.228 0.000 1.164 306 C CA -1.231 57.966 59.018 0.299 0.000 1.565 306 C CB -1.127 26.848 27.740 0.391 0.000 2.124 306 C HN 0.522 nan 8.230 nan 0.000 0.461 307 N N 1.081 119.899 118.700 0.197 0.000 2.384 307 N HA 0.376 5.116 4.740 0.000 0.000 0.301 307 N C 0.986 176.500 175.510 0.006 0.000 1.133 307 N CA -0.294 52.799 53.050 0.071 0.000 0.853 307 N CB 1.837 40.341 38.487 0.029 0.000 1.241 307 N HN 0.638 nan 8.380 nan 0.000 0.502 308 G N 0.346 109.142 108.800 -0.006 0.000 2.414 308 G HA2 -0.063 3.897 3.960 0.000 0.000 0.215 308 G HA3 -0.063 3.897 3.960 0.000 0.000 0.215 308 G C -0.217 174.330 174.900 -0.589 0.000 1.188 308 G CA 0.841 45.847 45.100 -0.156 0.000 0.783 308 G HN 0.461 nan 8.290 nan 0.000 0.537 309 F N -0.005 119.892 119.950 -0.089 0.000 2.499 309 F HA 0.494 5.021 4.527 0.000 0.000 0.333 309 F C -0.220 175.489 175.800 -0.152 0.000 1.138 309 F CA -0.955 56.968 58.000 -0.128 0.000 0.945 309 F CB 2.433 41.372 39.000 -0.101 0.000 1.181 309 F HN -0.016 nan 8.300 nan 0.000 0.435 310 E N 4.369 124.515 120.200 -0.089 0.000 2.186 310 E HA 0.380 4.730 4.350 0.000 0.000 0.255 310 E C -1.146 175.322 176.600 -0.220 0.000 0.881 310 E CA -0.583 55.736 56.400 -0.136 0.000 0.752 310 E CB 0.883 30.484 29.700 -0.164 0.000 1.176 310 E HN 0.389 nan 8.360 nan 0.000 0.421 311 I N 4.278 124.738 120.570 -0.183 0.000 2.269 311 I HA 0.221 4.391 4.170 0.000 0.000 0.293 311 I C 0.315 176.263 176.117 -0.281 0.000 1.106 311 I CA -0.189 60.963 61.300 -0.247 0.000 1.248 311 I CB -0.067 37.806 38.000 -0.211 0.000 1.444 311 I HN 0.566 nan 8.210 nan 0.000 0.497 312 D N 4.092 124.243 120.400 -0.416 0.000 2.588 312 D HA 0.194 4.834 4.640 0.000 0.000 0.268 312 D C -0.548 175.523 176.300 -0.383 0.000 1.176 312 D CA -0.475 53.285 54.000 -0.400 0.000 1.080 312 D CB 1.084 41.538 40.800 -0.577 0.000 1.186 312 D HN 0.272 nan 8.370 nan 0.000 0.619 313 D N -0.221 120.013 120.400 -0.277 0.000 4.262 313 D HA 0.098 4.738 4.640 0.000 0.000 0.186 313 D C 1.147 177.029 176.300 -0.697 0.000 1.090 313 D CA 1.819 55.630 54.000 -0.315 0.000 0.711 313 D CB -0.248 40.470 40.800 -0.136 0.000 1.194 313 D HN 0.683 nan 8.370 nan 0.000 0.627 314 G N 1.814 110.354 108.800 -0.433 0.000 2.179 314 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 314 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 314 G C 0.556 175.259 174.900 -0.328 0.000 0.977 314 G CA 0.420 45.326 45.100 -0.324 0.000 0.641 314 G HN 0.601 nan 8.290 nan 0.000 0.533 315 S N 1.485 116.946 115.700 -0.397 0.000 2.576 315 S HA 0.642 5.112 4.470 0.000 0.000 0.276 315 S C 0.501 174.729 174.600 -0.620 0.000 1.339 315 S CA 0.456 58.400 58.200 -0.426 0.000 1.039 315 S CB 1.047 64.017 63.200 -0.382 0.000 0.902 315 S HN 0.968 nan 8.310 nan 0.000 0.516 316 R N 1.431 121.499 120.500 -0.721 0.000 2.663 316 R HA 0.299 4.639 4.340 0.000 0.000 0.267 316 R C -1.555 174.274 176.300 -0.784 0.000 1.038 316 R CA -0.679 54.745 56.100 -1.126 0.000 0.886 316 R CB 0.189 29.266 30.300 -2.039 0.000 1.249 316 R HN 0.821 nan 8.270 nan 0.000 0.463 317 H N -0.812 118.063 119.070 -0.325 0.000 2.847 317 H HA -0.078 4.478 4.556 0.000 0.000 0.336 317 H C -0.997 174.236 175.328 -0.158 0.000 1.221 317 H CA 0.472 56.433 56.048 -0.145 0.000 1.162 317 H CB -1.877 27.893 29.762 0.013 0.000 1.566 317 H HN 0.428 nan 8.280 nan 0.000 0.430 318 V N 1.053 120.890 119.914 -0.128 0.000 2.604 318 V HA 0.504 4.624 4.120 0.000 0.000 0.305 318 V C 0.509 176.512 176.094 -0.152 0.000 1.043 318 V CA -0.898 61.301 62.300 -0.169 0.000 0.888 318 V CB 2.838 34.532 31.823 -0.215 0.000 0.995 318 V HN 0.178 nan 8.190 nan 0.000 0.429 319 V N 6.017 125.834 119.914 -0.162 0.000 2.448 319 V HA 0.533 4.653 4.120 0.000 0.000 0.295 319 V C -0.581 175.429 176.094 -0.141 0.000 1.025 319 V CA -0.475 61.740 62.300 -0.140 0.000 0.859 319 V CB 1.633 33.381 31.823 -0.125 0.000 0.988 319 V HN 0.640 nan 8.190 nan 0.000 0.431 320 L N 4.176 125.317 121.223 -0.136 0.000 2.322 320 L HA 0.768 5.108 4.340 0.000 0.000 0.281 320 L C 0.019 176.831 176.870 -0.096 0.000 1.014 320 L CA 0.171 54.924 54.840 -0.144 0.000 0.815 320 L CB 1.968 43.896 42.059 -0.218 0.000 1.247 320 L HN 0.643 nan 8.230 nan 0.000 0.421 321 S N 2.271 117.931 115.700 -0.066 0.000 2.572 321 S HA 0.471 4.941 4.470 0.000 0.000 0.274 321 S C -0.362 174.232 174.600 -0.010 0.000 1.150 321 S CA -0.570 57.615 58.200 -0.025 0.000 0.944 321 S CB 0.613 63.809 63.200 -0.007 0.000 1.071 321 S HN 0.693 nan 8.310 nan 0.000 0.479 322 N N 2.289 120.987 118.700 -0.003 0.000 2.725 322 N HA -0.138 4.602 4.740 0.000 0.000 0.249 322 N C -0.679 174.813 175.510 -0.029 0.000 1.103 322 N CA 0.921 53.962 53.050 -0.015 0.000 0.707 322 N CB -1.470 37.017 38.487 -0.001 0.000 1.043 322 N HN 0.676 nan 8.380 nan 0.000 0.553 323 N N 0.671 119.342 118.700 -0.049 0.000 2.434 323 N HA 0.328 5.068 4.740 0.000 0.000 0.266 323 N C 0.339 175.730 175.510 -0.199 0.000 1.223 323 N CA -0.129 52.885 53.050 -0.059 0.000 0.972 323 N CB 1.476 39.774 38.487 -0.314 0.000 1.207 323 N HN 0.220 nan 8.380 nan 0.000 0.525 324 R N -0.032 120.496 120.500 0.047 0.000 2.628 324 R HA 0.343 4.683 4.340 0.000 0.000 0.288 324 R C -1.044 175.550 176.300 0.490 0.000 0.980 324 R CA -0.509 55.594 56.100 0.005 0.000 0.891 324 R CB 1.090 31.376 30.300 -0.022 0.000 1.188 324 R HN 0.788 nan 8.270 nan 0.000 0.450 325 S N 2.670 118.611 115.700 0.403 0.000 2.532 325 S HA 0.577 5.047 4.470 0.000 0.000 0.301 325 S C -0.915 173.891 174.600 0.343 0.000 1.083 325 S CA -0.903 57.596 58.200 0.498 0.000 1.025 325 S CB 2.257 65.787 63.200 0.551 0.000 1.056 325 S HN 0.648 nan 8.310 nan 0.000 0.494 326 K N 0.544 121.130 120.400 0.311 0.000 2.513 326 K HA 0.557 4.877 4.320 0.000 0.000 0.251 326 K C 0.458 177.171 176.600 0.189 0.000 0.939 326 K CA -0.004 56.431 56.287 0.246 0.000 0.793 326 K CB 1.055 33.742 32.500 0.312 0.000 1.241 326 K HN 1.435 nan 8.250 nan 0.000 0.431 327 G N 2.086 110.973 108.800 0.146 0.000 2.176 327 G HA2 -0.255 3.705 3.960 0.000 0.000 0.252 327 G HA3 -0.255 3.705 3.960 0.000 0.000 0.252 327 G C 0.001 174.985 174.900 0.139 0.000 1.024 327 G CA 0.324 45.520 45.100 0.159 0.000 0.755 327 G HN 0.611 nan 8.290 nan 0.000 0.507 328 C N -1.972 117.320 119.300 -0.014 0.000 2.451 328 C HA 0.712 5.172 4.460 0.000 0.000 0.391 328 C C 1.668 176.228 174.990 -0.717 0.000 1.286 328 C CA -0.096 58.780 59.018 -0.236 0.000 1.935 328 C CB 0.933 28.647 27.740 -0.043 0.000 2.188 328 C HN 0.412 nan 8.230 nan 0.000 0.523 329 Y N 1.537 121.178 120.300 -1.098 0.000 2.144 329 Y HA 0.236 4.786 4.550 0.000 0.000 0.272 329 Y C 1.377 177.064 175.900 -0.356 0.000 1.092 329 Y CA 1.767 59.356 58.100 -0.851 0.000 1.080 329 Y CB -1.033 37.097 38.460 -0.549 0.000 1.003 329 Y HN 0.680 nan 8.280 nan 0.000 0.477 330 G N -0.301 108.209 108.800 -0.484 0.000 2.377 330 G HA2 0.410 4.370 3.960 0.000 0.000 0.299 330 G HA3 0.410 4.370 3.960 0.000 0.000 0.299 330 G C 0.817 175.582 174.900 -0.225 0.000 1.150 330 G CA -0.097 44.745 45.100 -0.430 0.000 0.847 330 G HN 0.691 nan 8.290 nan 0.000 0.501 331 G N 1.107 109.755 108.800 -0.253 0.000 2.496 331 G HA2 0.038 3.998 3.960 0.000 0.000 0.214 331 G HA3 0.038 3.998 3.960 0.000 0.000 0.214 331 G C 0.568 175.437 174.900 -0.052 0.000 1.234 331 G CA 0.238 45.267 45.100 -0.119 0.000 0.807 331 G HN 0.572 nan 8.290 nan 0.000 0.543 332 I N 0.803 121.244 120.570 -0.214 0.000 2.382 332 I HA 0.305 4.475 4.170 0.000 0.000 0.286 332 I C -0.665 175.462 176.117 0.016 0.000 1.002 332 I CA -0.441 60.823 61.300 -0.060 0.000 1.135 332 I CB 2.176 40.125 38.000 -0.085 0.000 1.288 332 I HN 0.200 nan 8.210 nan 0.000 0.448 333 E N 7.578 127.791 120.200 0.022 0.000 2.191 333 E HA 0.586 4.936 4.350 0.000 0.000 0.278 333 E C -1.280 175.351 176.600 0.052 0.000 0.972 333 E CA -0.583 55.847 56.400 0.050 0.000 0.804 333 E CB 1.451 31.158 29.700 0.012 0.000 1.110 333 E HN 0.516 nan 8.360 nan 0.000 0.394 334 I N 5.253 125.894 120.570 0.119 0.000 2.410 334 I HA 0.379 4.549 4.170 0.000 0.000 0.286 334 I C -0.370 175.786 176.117 0.066 0.000 1.009 334 I CA -0.521 60.754 61.300 -0.042 0.000 1.111 334 I CB 1.304 39.099 38.000 -0.342 0.000 1.262 334 I HN 0.575 nan 8.210 nan 0.000 0.443 335 K N 5.296 125.717 120.400 0.034 0.000 2.580 335 K HA 0.955 5.275 4.320 0.000 0.000 0.288 335 K C -1.909 174.648 176.600 -0.072 0.000 1.041 335 K CA -0.873 55.465 56.287 0.086 0.000 0.855 335 K CB 1.982 34.522 32.500 0.066 0.000 1.543 335 K HN 0.487 nan 8.250 nan 0.000 0.388 336 A N 0.323 123.081 122.820 -0.104 0.000 2.566 336 A HA 0.616 4.936 4.320 0.000 0.000 0.292 336 A C -1.509 176.115 177.584 0.066 0.000 1.112 336 A CA -0.846 51.134 52.037 -0.094 0.000 0.707 336 A CB 0.692 19.558 19.000 -0.223 0.000 1.302 336 A HN 0.755 nan 8.150 nan 0.000 0.409 337 H N -0.476 118.739 119.070 0.242 0.000 2.660 337 H HA 0.364 4.920 4.556 0.000 0.000 0.374 337 H C 1.750 177.252 175.328 0.290 0.000 1.291 337 H CA 1.098 57.289 56.048 0.238 0.000 1.437 337 H CB 0.772 30.658 29.762 0.207 0.000 1.509 337 H HN 0.764 nan 8.280 nan 0.000 0.614 338 G N -0.194 108.774 108.800 0.280 0.000 2.432 338 G HA2 -0.206 3.754 3.960 0.000 0.000 0.219 338 G HA3 -0.206 3.754 3.960 0.000 0.000 0.219 338 G C 0.498 175.529 174.900 0.217 0.000 1.135 338 G CA 0.804 45.989 45.100 0.141 0.000 0.767 338 G HN 0.614 nan 8.290 nan 0.000 0.550 339 D N 0.829 121.370 120.400 0.234 0.000 2.587 339 D HA 0.520 5.160 4.640 0.000 0.000 0.233 339 D C 0.494 177.004 176.300 0.350 0.000 1.213 339 D CA 0.325 54.464 54.000 0.233 0.000 0.827 339 D CB 0.713 41.597 40.800 0.141 0.000 1.006 339 D HN 0.312 nan 8.370 nan 0.000 0.490 340 A N 1.215 124.271 122.820 0.393 0.000 2.594 340 A HA 0.637 4.957 4.320 0.000 0.000 0.291 340 A C -2.866 174.875 177.584 0.261 0.000 1.105 340 A CA -1.347 50.901 52.037 0.351 0.000 0.694 340 A CB 1.973 21.227 19.000 0.422 0.000 1.291 340 A HN -0.189 nan 8.150 nan 0.000 0.410 341 P HA 0.451 nan 4.420 nan 0.000 0.280 341 P C -0.039 177.141 177.300 -0.200 0.000 1.244 341 P CA 0.188 63.284 63.100 -0.006 0.000 0.784 341 P CB 1.282 33.014 31.700 0.055 0.000 0.913 342 A N 3.517 126.017 122.820 -0.533 0.000 2.425 342 A HA 0.456 4.776 4.320 0.000 0.000 0.242 342 A C 0.686 178.179 177.584 -0.152 0.000 1.077 342 A CA -0.118 51.593 52.037 -0.543 0.000 0.781 342 A CB -0.414 18.085 19.000 -0.834 0.000 1.020 342 A HN 0.652 nan 8.150 nan 0.000 0.494 343 A N 0.746 123.509 122.820 -0.095 0.000 2.498 343 A HA 0.529 4.849 4.320 0.000 0.000 0.239 343 A C -0.220 177.397 177.584 0.056 0.000 1.068 343 A CA 0.402 52.369 52.037 -0.117 0.000 0.766 343 A CB -0.416 18.476 19.000 -0.179 0.000 1.003 343 A HN 1.637 nan 8.150 nan 0.000 0.497 344 Y N -0.551 119.666 120.300 -0.137 0.000 2.553 344 Y HA 0.620 5.170 4.550 0.000 0.000 0.347 344 Y C -0.082 175.728 175.900 -0.150 0.000 1.019 344 Y CA -1.492 56.559 58.100 -0.083 0.000 1.032 344 Y CB 1.082 39.492 38.460 -0.085 0.000 1.284 344 Y HN 0.747 nan 8.280 nan 0.000 0.466 345 N N 1.346 120.103 118.700 0.096 0.000 2.699 345 N HA -0.139 4.601 4.740 0.000 0.000 0.257 345 N C -1.845 173.623 175.510 -0.070 0.000 1.077 345 N CA 0.547 53.633 53.050 0.060 0.000 0.702 345 N CB -0.755 37.876 38.487 0.239 0.000 0.886 345 N HN 0.677 nan 8.380 nan 0.000 0.549 346 I N 0.109 120.597 120.570 -0.137 0.000 2.474 346 I HA 0.410 4.580 4.170 0.000 0.000 0.294 346 I C 0.509 176.512 176.117 -0.190 0.000 1.005 346 I CA -0.696 60.482 61.300 -0.202 0.000 1.113 346 I CB 1.488 39.307 38.000 -0.301 0.000 1.289 346 I HN 0.320 nan 8.210 nan 0.000 0.436 347 S N 7.058 122.664 115.700 -0.157 0.000 2.478 347 S HA 0.725 5.195 4.470 0.000 0.000 0.312 347 S C -0.743 173.773 174.600 -0.140 0.000 1.094 347 S CA -0.545 57.575 58.200 -0.133 0.000 1.081 347 S CB 0.747 63.894 63.200 -0.088 0.000 1.007 347 S HN 0.410 nan 8.310 nan 0.000 0.475 348 I N 4.808 125.297 120.570 -0.136 0.000 2.359 348 I HA 0.323 4.493 4.170 0.000 0.000 0.284 348 I C -0.094 175.977 176.117 -0.077 0.000 1.018 348 I CA -0.584 60.650 61.300 -0.110 0.000 1.173 348 I CB 1.296 39.232 38.000 -0.107 0.000 1.326 348 I HN 0.560 nan 8.210 nan 0.000 0.462 349 N N 5.896 124.563 118.700 -0.055 0.000 3.301 349 N HA 0.422 5.162 4.740 0.000 0.000 0.289 349 N C -0.101 175.400 175.510 -0.016 0.000 1.343 349 N CA 0.192 53.221 53.050 -0.036 0.000 1.136 349 N CB 0.410 38.880 38.487 -0.029 0.000 1.402 349 N HN 0.861 nan 8.380 nan 0.000 0.516 350 G N 1.431 110.225 108.800 -0.010 0.000 2.895 350 G HA2 -0.039 3.921 3.960 0.000 0.000 0.686 350 G HA3 -0.039 3.921 3.960 0.000 0.000 0.686 350 G C -1.360 173.595 174.900 0.091 0.000 1.108 350 G CA -0.577 44.534 45.100 0.019 0.000 0.761 350 G HN 0.800 nan 8.290 nan 0.000 0.611 351 H N 1.246 120.325 119.070 0.015 0.000 3.064 351 H HA 0.720 5.276 4.556 0.000 0.000 0.352 351 H C -0.647 174.763 175.328 0.137 0.000 1.260 351 H CA -0.706 55.385 56.048 0.071 0.000 1.160 351 H CB 1.585 31.451 29.762 0.172 0.000 1.879 351 H HN 0.850 nan 8.280 nan 0.000 0.544 352 M N 4.219 123.542 119.600 -0.461 0.000 2.134 352 M HA 0.374 4.854 4.480 0.000 0.000 0.310 352 M C -1.302 174.869 176.300 -0.215 0.000 0.966 352 M CA -0.603 54.583 55.300 -0.190 0.000 0.922 352 M CB 1.119 33.634 32.600 -0.143 0.000 1.537 352 M HN 0.551 nan 8.290 nan 0.000 0.424 353 S N 4.663 120.401 115.700 0.062 0.000 2.433 353 S HA 0.658 5.128 4.470 0.000 0.000 0.310 353 S C -1.200 173.441 174.600 0.068 0.000 1.097 353 S CA -0.561 57.682 58.200 0.072 0.000 1.103 353 S CB 0.990 64.147 63.200 -0.072 0.000 0.992 353 S HN 0.582 nan 8.310 nan 0.000 0.469 354 V N 5.456 125.423 119.914 0.088 0.000 2.350 354 V HA 0.460 4.580 4.120 0.000 0.000 0.285 354 V C 0.247 176.400 176.094 0.098 0.000 1.014 354 V CA -0.576 61.780 62.300 0.093 0.000 0.831 354 V CB 0.664 32.544 31.823 0.096 0.000 1.000 354 V HN 1.126 nan 8.190 nan 0.000 0.433 355 E N 1.587 121.841 120.200 0.091 0.000 2.476 355 E HA -0.195 4.155 4.350 0.000 0.000 0.251 355 E C -0.051 176.598 176.600 0.081 0.000 1.130 355 E CA 0.562 57.018 56.400 0.094 0.000 0.736 355 E CB -0.503 29.259 29.700 0.104 0.000 1.298 355 E HN 0.815 nan 8.360 nan 0.000 0.400 356 D N -0.894 119.525 120.400 0.031 0.000 2.411 356 D HA 0.146 4.786 4.640 0.000 0.000 0.251 356 D C 1.491 177.760 176.300 -0.052 0.000 1.201 356 D CA -0.248 53.725 54.000 -0.045 0.000 0.996 356 D CB 1.279 42.009 40.800 -0.118 0.000 1.101 356 D HN -0.114 nan 8.370 nan 0.000 0.504 357 V N 0.355 120.188 119.914 -0.134 0.000 2.300 357 V HA -0.053 4.067 4.120 0.000 0.000 0.241 357 V C 1.019 177.008 176.094 -0.176 0.000 1.034 357 V CA 1.262 63.517 62.300 -0.075 0.000 1.021 357 V CB -0.159 31.704 31.823 0.067 0.000 0.662 357 V HN 0.313 nan 8.190 nan 0.000 0.458 358 R N -0.102 120.161 120.500 -0.396 0.000 2.358 358 R HA 0.396 4.736 4.340 0.000 0.000 0.309 358 R C 0.944 177.005 176.300 -0.399 0.000 1.026 358 R CA -0.071 55.805 56.100 -0.372 0.000 0.909 358 R CB 1.445 31.469 30.300 -0.460 0.000 1.153 358 R HN 0.231 nan 8.270 nan 0.000 0.515 359 S N 1.595 117.087 115.700 -0.347 0.000 2.359 359 S HA -0.131 4.339 4.470 0.000 0.000 0.224 359 S C 0.122 174.148 174.600 -0.956 0.000 1.035 359 S CA 1.384 59.239 58.200 -0.575 0.000 1.018 359 S CB -0.065 62.841 63.200 -0.491 0.000 0.876 359 S HN 0.466 nan 8.310 nan 0.000 0.448 360 Y N 0.649 120.792 120.300 -0.261 0.000 2.346 360 Y HA 0.484 5.034 4.550 0.000 0.000 0.332 360 Y C -0.098 175.402 175.900 -0.666 0.000 0.985 360 Y CA -0.795 57.048 58.100 -0.428 0.000 1.112 360 Y CB 1.064 39.252 38.460 -0.455 0.000 1.170 360 Y HN 0.034 nan 8.280 nan 0.000 0.447 361 N N 4.884 123.300 118.700 -0.472 0.000 2.577 361 N HA 0.428 5.168 4.740 0.000 0.000 0.275 361 N C -2.012 173.459 175.510 -0.065 0.000 1.091 361 N CA -0.316 52.533 53.050 -0.335 0.000 0.843 361 N CB 0.830 39.167 38.487 -0.250 0.000 1.295 361 N HN 0.494 nan 8.380 nan 0.000 0.530 362 F N 3.713 123.642 119.950 -0.034 0.000 2.467 362 F HA 0.569 5.096 4.527 0.000 0.000 0.336 362 F C 0.566 176.469 175.800 0.173 0.000 1.123 362 F CA -1.081 56.880 58.000 -0.065 0.000 0.964 362 F CB 1.509 40.328 39.000 -0.301 0.000 1.136 362 F HN 0.279 nan 8.300 nan 0.000 0.447 363 R N 1.336 122.157 120.500 0.535 0.000 2.716 363 R HA 0.440 4.780 4.340 0.000 0.000 0.271 363 R C -2.196 174.435 176.300 0.550 0.000 1.028 363 R CA -1.061 55.388 56.100 0.582 0.000 0.883 363 R CB 2.378 32.919 30.300 0.401 0.000 1.250 363 R HN 0.835 nan 8.270 nan 0.000 0.465 364 H N 1.941 121.191 119.070 0.301 0.000 3.036 364 H HA 0.368 4.924 4.556 0.000 0.000 0.295 364 H C -0.424 174.733 175.328 -0.285 0.000 1.124 364 H CA -0.836 55.199 56.048 -0.023 0.000 1.507 364 H CB 0.911 30.564 29.762 -0.183 0.000 1.591 364 H HN 0.499 nan 8.280 nan 0.000 0.510 365 I N 4.060 124.660 120.570 0.051 0.000 2.845 365 I HA -0.100 4.070 4.170 0.000 0.000 0.296 365 I C 1.472 177.455 176.117 -0.223 0.000 1.216 365 I CA 1.918 63.168 61.300 -0.084 0.000 1.438 365 I CB 0.512 38.562 38.000 0.084 0.000 1.342 365 I HN 1.066 nan 8.210 nan 0.000 0.577 366 G N 4.239 112.842 108.800 -0.330 0.000 2.176 366 G HA2 -0.283 3.677 3.960 0.000 0.000 0.253 366 G HA3 -0.283 3.677 3.960 0.000 0.000 0.253 366 G C 0.234 174.652 174.900 -0.803 0.000 0.979 366 G CA 0.069 44.889 45.100 -0.466 0.000 0.641 366 G HN 0.819 nan 8.290 nan 0.000 0.530 367 H N -1.537 117.224 119.070 -0.516 0.000 2.651 367 H HA 0.483 5.039 4.556 0.000 0.000 0.241 367 H C 1.166 176.370 175.328 -0.208 0.000 1.225 367 H CA -0.046 55.783 56.048 -0.365 0.000 0.942 367 H CB 0.160 29.653 29.762 -0.449 0.000 1.996 367 H HN 0.583 nan 8.280 nan 0.000 0.600 368 H N -0.645 118.451 119.070 0.044 0.000 2.545 368 H HA 0.455 5.011 4.556 0.000 0.000 0.283 368 H C 1.185 176.626 175.328 0.188 0.000 0.997 368 H CA 0.178 56.302 56.048 0.127 0.000 1.269 368 H CB 0.804 30.564 29.762 -0.004 0.000 1.451 368 H HN 0.301 nan 8.280 nan 0.000 0.508 369 A N 0.980 123.921 122.820 0.202 0.000 2.386 369 A HA 0.431 4.751 4.320 0.000 0.000 0.248 369 A C 1.601 179.250 177.584 0.109 0.000 1.082 369 A CA 0.368 52.501 52.037 0.161 0.000 0.789 369 A CB 0.120 19.166 19.000 0.076 0.000 1.025 369 A HN 0.486 nan 8.150 nan 0.000 0.490 370 A N 0.959 123.834 122.820 0.092 0.000 2.019 370 A HA -0.051 4.269 4.320 0.000 0.000 0.219 370 A C 1.908 179.511 177.584 0.032 0.000 1.164 370 A CA 2.281 54.349 52.037 0.053 0.000 0.644 370 A CB -0.917 18.104 19.000 0.035 0.000 0.805 370 A HN 1.424 nan 8.150 nan 0.000 0.449 371 T N -3.243 111.326 114.554 0.025 0.000 3.122 371 T HA 0.615 4.965 4.350 0.000 0.000 0.250 371 T C 0.567 175.260 174.700 -0.011 0.000 1.067 371 T CA 0.358 62.462 62.100 0.007 0.000 0.966 371 T CB -0.188 68.683 68.868 0.005 0.000 1.002 371 T HN 0.546 nan 8.240 nan 0.000 0.542 372 A N 2.739 125.549 122.820 -0.015 0.000 2.264 372 A HA 0.750 5.070 4.320 0.000 0.000 0.304 372 A C -2.360 175.202 177.584 -0.038 0.000 1.100 372 A CA -1.951 50.049 52.037 -0.062 0.000 0.839 372 A CB 0.312 19.246 19.000 -0.110 0.000 1.121 372 A HN 0.307 nan 8.150 nan 0.000 0.496 373 P HA 0.230 nan 4.420 nan 0.000 0.274 373 P C -0.737 176.619 177.300 0.093 0.000 1.231 373 P CA -0.285 62.828 63.100 0.021 0.000 0.790 373 P CB 0.523 32.243 31.700 0.035 0.000 0.951 374 Q N 1.317 121.160 119.800 0.072 0.000 2.364 374 Q HA 0.149 4.489 4.340 0.000 0.000 0.267 374 Q C 0.132 176.164 176.000 0.053 0.000 0.999 374 Q CA 0.214 56.058 55.803 0.067 0.000 0.886 374 Q CB 0.218 28.972 28.738 0.028 0.000 1.243 374 Q HN 0.423 nan 8.270 nan 0.000 0.415 375 S N 2.198 117.874 115.700 -0.039 0.000 2.549 375 S HA 0.070 4.540 4.470 0.000 0.000 0.286 375 S C 0.755 175.266 174.600 -0.149 0.000 1.314 375 S CA -0.074 57.976 58.200 -0.251 0.000 1.062 375 S CB 0.220 63.313 63.200 -0.178 0.000 0.865 375 S HN 0.679 nan 8.310 nan 0.000 0.498 376 V N 2.824 122.647 119.914 -0.152 0.000 3.649 376 V HA 0.177 4.297 4.120 0.000 0.000 0.275 376 V C 1.297 177.281 176.094 -0.184 0.000 1.281 376 V CA 1.042 63.258 62.300 -0.140 0.000 1.143 376 V CB -0.323 31.437 31.823 -0.105 0.000 0.892 376 V HN 0.850 nan 8.190 nan 0.000 0.441 377 S N 0.393 115.972 115.700 -0.202 0.000 2.539 377 S HA 0.496 4.966 4.470 0.000 0.000 0.226 377 S C 1.293 175.748 174.600 -0.241 0.000 1.054 377 S CA 0.498 58.553 58.200 -0.241 0.000 0.910 377 S CB 0.051 63.136 63.200 -0.192 0.000 0.818 377 S HN 0.966 nan 8.310 nan 0.000 0.490 378 A N 2.126 124.730 122.820 -0.361 0.000 2.797 378 A HA 0.566 4.886 4.320 0.000 0.000 0.296 378 A C -0.051 177.383 177.584 -0.249 0.000 1.580 378 A CA -0.204 51.390 52.037 -0.737 0.000 1.277 378 A CB -0.485 17.744 19.000 -1.284 0.000 1.101 378 A HN 0.490 nan 8.150 nan 0.000 0.562 379 K N 1.434 121.920 120.400 0.142 0.000 2.527 379 K HA 0.468 4.788 4.320 0.000 0.000 0.260 379 K C -1.110 175.681 176.600 0.319 0.000 0.937 379 K CA -1.120 55.355 56.287 0.312 0.000 0.826 379 K CB 1.647 34.253 32.500 0.176 0.000 1.359 379 K HN 0.486 nan 8.250 nan 0.000 0.434 380 N N 1.210 120.061 118.700 0.252 0.000 2.469 380 N HA -0.154 4.586 4.740 0.000 0.000 0.283 380 N C -1.710 173.798 175.510 -0.005 0.000 1.326 380 N CA 0.556 53.676 53.050 0.117 0.000 0.646 380 N CB -0.963 37.614 38.487 0.149 0.000 0.894 380 N HN 0.481 nan 8.380 nan 0.000 0.533 381 I N 0.772 121.275 120.570 -0.113 0.000 2.466 381 I HA 0.478 4.648 4.170 0.000 0.000 0.289 381 I C -0.276 175.727 176.117 -0.191 0.000 1.026 381 I CA -1.087 60.052 61.300 -0.268 0.000 1.078 381 I CB 1.974 39.614 38.000 -0.599 0.000 1.249 381 I HN -0.033 nan 8.210 nan 0.000 0.429 382 V N 5.395 125.209 119.914 -0.166 0.000 2.378 382 V HA 0.764 4.884 4.120 0.000 0.000 0.288 382 V C -0.048 175.971 176.094 -0.125 0.000 1.016 382 V CA -0.410 61.821 62.300 -0.115 0.000 0.840 382 V CB 1.484 33.262 31.823 -0.075 0.000 0.994 382 V HN 0.818 nan 8.190 nan 0.000 0.431 383 A N 3.908 126.664 122.820 -0.107 0.000 2.393 383 A HA 0.945 5.265 4.320 0.000 0.000 0.306 383 A C -0.389 177.134 177.584 -0.100 0.000 1.050 383 A CA -0.449 51.521 52.037 -0.111 0.000 0.724 383 A CB 1.837 20.777 19.000 -0.101 0.000 1.248 383 A HN 0.703 nan 8.150 nan 0.000 0.424 384 S N 1.028 116.670 115.700 -0.096 0.000 2.588 384 S HA 0.568 5.038 4.470 0.000 0.000 0.275 384 S C -0.112 174.446 174.600 -0.069 0.000 1.130 384 S CA -0.742 57.413 58.200 -0.075 0.000 0.855 384 S CB 1.302 64.471 63.200 -0.051 0.000 1.116 384 S HN 0.887 nan 8.310 nan 0.000 0.472 385 N N 1.181 119.850 118.700 -0.052 0.000 2.688 385 N HA -0.145 4.595 4.740 0.000 0.000 0.258 385 N C -1.116 174.378 175.510 -0.026 0.000 1.016 385 N CA 0.422 53.455 53.050 -0.029 0.000 0.747 385 N CB -1.104 37.374 38.487 -0.015 0.000 0.895 385 N HN 0.583 nan 8.380 nan 0.000 0.543 386 L N 0.622 121.803 121.223 -0.071 0.000 2.276 386 L HA 0.443 4.783 4.340 0.000 0.000 0.286 386 L C 0.553 177.459 176.870 0.061 0.000 1.061 386 L CA -0.730 54.052 54.840 -0.098 0.000 0.807 386 L CB 1.484 43.266 42.059 -0.462 0.000 1.177 386 L HN -0.180 nan 8.230 nan 0.000 0.429 387 V N 2.226 122.264 119.914 0.206 0.000 2.495 387 V HA 0.436 4.556 4.120 0.000 0.000 0.298 387 V C -0.075 176.206 176.094 0.311 0.000 1.031 387 V CA -0.428 61.992 62.300 0.200 0.000 0.871 387 V CB 1.833 33.724 31.823 0.113 0.000 0.988 387 V HN 0.794 nan 8.190 nan 0.000 0.432 388 S N 5.260 121.123 115.700 0.273 0.000 2.561 388 S HA 0.787 5.257 4.470 0.000 0.000 0.303 388 S C -1.071 173.672 174.600 0.239 0.000 1.110 388 S CA -0.442 57.904 58.200 0.245 0.000 1.034 388 S CB 0.755 64.110 63.200 0.258 0.000 1.010 388 S HN 0.536 nan 8.310 nan 0.000 0.482 389 I N 4.364 125.047 120.570 0.188 0.000 2.436 389 I HA 0.518 4.688 4.170 0.000 0.000 0.289 389 I C 0.297 176.513 176.117 0.165 0.000 1.010 389 I CA -0.794 60.625 61.300 0.198 0.000 1.098 389 I CB 1.660 39.745 38.000 0.142 0.000 1.266 389 I HN 0.773 nan 8.210 nan 0.000 0.434 390 R N 3.117 123.710 120.500 0.156 0.000 3.225 390 R HA -0.144 4.196 4.340 0.000 0.000 0.245 390 R C -2.390 173.983 176.300 0.121 0.000 0.928 390 R CA -0.228 55.929 56.100 0.096 0.000 0.632 390 R CB -1.688 28.661 30.300 0.081 0.000 1.038 390 R HN 0.366 nan 8.270 nan 0.000 0.461 391 P HA 0.016 nan 4.420 nan 0.000 0.271 391 P C -0.612 176.765 177.300 0.129 0.000 1.216 391 P CA 0.162 63.340 63.100 0.130 0.000 0.776 391 P CB 0.837 32.614 31.700 0.129 0.000 0.881 392 N N 0.220 118.985 118.700 0.109 0.000 3.046 392 N HA 0.244 4.984 4.740 0.000 0.000 0.243 392 N C -1.091 174.508 175.510 0.148 0.000 1.452 392 N CA -0.817 52.304 53.050 0.118 0.000 0.882 392 N CB 0.414 38.965 38.487 0.106 0.000 1.425 392 N HN 0.061 nan 8.380 nan 0.000 0.517 393 N N -0.261 118.531 118.700 0.153 0.000 2.644 393 N HA 0.264 5.004 4.740 0.000 0.000 0.313 393 N C -0.382 175.216 175.510 0.147 0.000 1.863 393 N CA -0.246 52.927 53.050 0.205 0.000 0.918 393 N CB 0.340 38.956 38.487 0.215 0.000 1.320 393 N HN 0.603 nan 8.380 nan 0.000 0.490 394 K N -0.304 120.171 120.400 0.125 0.000 2.152 394 K HA -0.026 4.294 4.320 0.000 0.000 0.206 394 K C 1.298 177.918 176.600 0.032 0.000 1.048 394 K CA 1.091 57.422 56.287 0.073 0.000 0.933 394 K CB 0.273 32.814 32.500 0.068 0.000 0.721 394 K HN 0.235 nan 8.250 nan 0.000 0.447 395 R N -0.567 119.948 120.500 0.026 0.000 2.275 395 R HA 0.017 4.357 4.340 0.000 0.000 0.199 395 R C 0.768 176.928 176.300 -0.233 0.000 0.989 395 R CA 0.592 56.599 56.100 -0.154 0.000 1.016 395 R CB 0.389 30.493 30.300 -0.328 0.000 0.918 395 R HN 0.356 nan 8.270 nan 0.000 0.473 396 G N 1.522 110.277 108.800 -0.075 0.000 2.225 396 G HA2 -0.279 3.681 3.960 0.000 0.000 0.264 396 G HA3 -0.279 3.681 3.960 0.000 0.000 0.264 396 G C -0.020 174.837 174.900 -0.070 0.000 1.060 396 G CA -0.310 44.762 45.100 -0.047 0.000 0.833 396 G HN 0.195 nan 8.290 nan 0.000 0.498 397 F N 0.065 120.028 119.950 0.023 0.000 2.595 397 F HA 0.287 4.814 4.527 0.000 0.000 0.359 397 F C 1.782 177.496 175.800 -0.144 0.000 1.147 397 F CA 1.219 59.197 58.000 -0.038 0.000 1.341 397 F CB 0.513 39.547 39.000 0.057 0.000 1.104 397 F HN 0.334 nan 8.300 nan 0.000 0.603 398 Q N 2.067 121.840 119.800 -0.045 0.000 2.451 398 Q HA -0.268 4.072 4.340 0.000 0.000 0.305 398 Q C -0.521 175.436 176.000 -0.070 0.000 1.345 398 Q CA 1.011 56.705 55.803 -0.182 0.000 0.854 398 Q CB -1.692 26.718 28.738 -0.547 0.000 1.162 398 Q HN 0.818 nan 8.270 nan 0.000 0.440 399 D N 0.560 120.939 120.400 -0.035 0.000 2.697 399 D HA -0.202 4.438 4.640 0.000 0.000 0.238 399 D C 0.018 176.326 176.300 0.012 0.000 1.152 399 D CA 1.274 55.266 54.000 -0.014 0.000 0.666 399 D CB -1.162 39.629 40.800 -0.015 0.000 1.037 399 D HN 0.594 nan 8.370 nan 0.000 0.423 400 N N -2.855 115.864 118.700 0.033 0.000 2.740 400 N HA -0.215 4.525 4.740 0.000 0.000 0.248 400 N C 0.294 175.856 175.510 0.087 0.000 1.062 400 N CA 1.086 54.174 53.050 0.063 0.000 0.704 400 N CB -1.425 37.087 38.487 0.043 0.000 0.968 400 N HN 0.662 nan 8.380 nan 0.000 0.547 401 A N 0.526 123.412 122.820 0.110 0.000 2.561 401 A HA 0.291 4.611 4.320 0.000 0.000 0.234 401 A C 1.206 178.891 177.584 0.168 0.000 1.055 401 A CA 0.797 52.924 52.037 0.150 0.000 0.756 401 A CB 0.160 19.302 19.000 0.236 0.000 0.986 401 A HN 0.441 nan 8.150 nan 0.000 0.505 402 T N 1.405 116.038 114.554 0.133 0.000 2.884 402 T HA 0.524 4.874 4.350 0.000 0.000 0.298 402 T C -2.585 172.177 174.700 0.103 0.000 0.998 402 T CA -1.527 60.640 62.100 0.110 0.000 1.124 402 T CB 0.677 69.599 68.868 0.090 0.000 0.931 402 T HN 0.429 nan 8.240 nan 0.000 0.531 403 P HA 0.368 nan 4.420 nan 0.000 0.272 403 P C -0.273 177.036 177.300 0.015 0.000 1.230 403 P CA -0.559 62.576 63.100 0.058 0.000 0.788 403 P CB 0.478 32.230 31.700 0.087 0.000 0.949 404 R N 1.082 121.561 120.500 -0.036 0.000 2.668 404 R HA 0.252 4.592 4.340 0.000 0.000 0.272 404 R C 0.633 176.880 176.300 -0.089 0.000 1.019 404 R CA -0.824 55.231 56.100 -0.075 0.000 0.894 404 R CB 1.248 31.491 30.300 -0.094 0.000 1.228 404 R HN 0.107 nan 8.270 nan 0.000 0.460 405 V N 1.242 121.089 119.914 -0.113 0.000 2.323 405 V HA -0.038 4.082 4.120 0.000 0.000 0.244 405 V C 0.648 176.738 176.094 -0.007 0.000 1.041 405 V CA 1.381 63.652 62.300 -0.049 0.000 1.025 405 V CB -0.138 31.626 31.823 -0.099 0.000 0.656 405 V HN 0.545 nan 8.190 nan 0.000 0.451 406 L N -0.420 120.759 121.223 -0.074 0.000 2.464 406 L HA 0.791 5.131 4.340 0.000 0.000 0.266 406 L C -0.818 175.952 176.870 -0.167 0.000 0.965 406 L CA -0.402 54.364 54.840 -0.122 0.000 0.833 406 L CB 1.659 43.649 42.059 -0.114 0.000 1.296 406 L HN -0.016 nan 8.230 nan 0.000 0.405 407 A N 4.762 127.434 122.820 -0.246 0.000 2.335 407 A HA 0.809 5.130 4.320 0.000 0.000 0.304 407 A C -1.561 175.914 177.584 -0.182 0.000 1.118 407 A CA -0.512 51.427 52.037 -0.163 0.000 0.757 407 A CB 1.528 20.459 19.000 -0.116 0.000 1.188 407 A HN 0.553 nan 8.150 nan 0.000 0.460 408 V N 2.617 122.499 119.914 -0.054 0.000 2.448 408 V HA 0.751 4.871 4.120 0.000 0.000 0.295 408 V C 0.095 176.282 176.094 0.155 0.000 1.025 408 V CA -0.234 62.113 62.300 0.078 0.000 0.859 408 V CB 1.391 33.283 31.823 0.115 0.000 0.988 408 V HN 1.132 nan 8.190 nan 0.000 0.431 409 S N 2.821 118.678 115.700 0.262 0.000 2.569 409 S HA 0.849 5.319 4.470 0.000 0.000 0.280 409 S C 0.471 175.354 174.600 0.472 0.000 1.111 409 S CA 0.202 58.586 58.200 0.306 0.000 0.887 409 S CB 2.124 65.381 63.200 0.095 0.000 1.095 409 S HN 2.311 nan 8.310 nan 0.000 0.476 410 A N 0.068 123.152 122.820 0.441 0.000 3.870 410 A HA -0.238 4.082 4.320 0.000 0.000 0.246 410 A C 0.158 177.848 177.584 0.177 0.000 0.669 410 A CA 1.393 53.619 52.037 0.315 0.000 1.221 410 A CB -2.722 16.445 19.000 0.278 0.000 1.199 410 A HN 1.127 nan 8.150 nan 0.000 0.685 411 Y N -0.804 119.620 120.300 0.206 0.000 2.411 411 Y HA 0.443 4.993 4.550 0.000 0.000 0.333 411 Y C 0.389 176.383 175.900 0.157 0.000 1.186 411 Y CA 1.033 59.230 58.100 0.160 0.000 1.381 411 Y CB 0.304 38.841 38.460 0.128 0.000 1.273 411 Y HN 0.446 nan 8.280 nan 0.000 0.546 412 Y N 1.386 121.782 120.300 0.162 0.000 2.361 412 Y HA 0.522 5.072 4.550 0.000 0.000 0.332 412 Y C 0.508 176.482 175.900 0.124 0.000 1.101 412 Y CA -0.725 57.439 58.100 0.106 0.000 1.137 412 Y CB 1.427 39.910 38.460 0.039 0.000 1.207 412 Y HN 0.790 nan 8.280 nan 0.000 0.463 413 G N 3.865 112.177 108.800 -0.814 0.000 2.368 413 G HA2 -0.162 3.798 3.960 0.000 0.000 0.290 413 G HA3 -0.162 3.798 3.960 0.000 0.000 0.290 413 G C -1.326 173.449 174.900 -0.208 0.000 1.098 413 G CA 0.059 44.762 45.100 -0.662 0.000 1.073 413 G HN 0.770 nan 8.290 nan 0.000 0.511 414 V N 0.375 120.204 119.914 -0.143 0.000 2.370 414 V HA 0.611 4.731 4.120 0.000 0.000 0.283 414 V C 0.457 176.509 176.094 -0.069 0.000 1.023 414 V CA -0.808 61.447 62.300 -0.074 0.000 0.857 414 V CB 1.928 33.761 31.823 0.017 0.000 0.985 414 V HN 0.395 nan 8.190 nan 0.000 0.443 415 V N 6.406 126.278 119.914 -0.070 0.000 2.378 415 V HA 0.510 4.630 4.120 0.000 0.000 0.288 415 V C -0.394 175.671 176.094 -0.049 0.000 1.016 415 V CA -0.434 61.831 62.300 -0.058 0.000 0.840 415 V CB 1.687 33.474 31.823 -0.060 0.000 0.994 415 V HN 0.598 nan 8.190 nan 0.000 0.431 416 I N 4.237 124.783 120.570 -0.040 0.000 2.406 416 I HA 0.476 4.646 4.170 0.000 0.000 0.290 416 I C -0.360 175.729 176.117 -0.047 0.000 0.999 416 I CA -0.444 60.828 61.300 -0.047 0.000 1.124 416 I CB 1.605 39.579 38.000 -0.043 0.000 1.289 416 I HN 0.649 nan 8.210 nan 0.000 0.441 417 N N 3.714 122.382 118.700 -0.052 0.000 2.461 417 N HA 0.602 5.342 4.740 0.000 0.000 0.284 417 N C -0.255 175.231 175.510 -0.041 0.000 1.049 417 N CA -0.107 52.919 53.050 -0.040 0.000 0.889 417 N CB 1.588 40.055 38.487 -0.033 0.000 1.365 417 N HN 0.893 nan 8.380 nan 0.000 0.499 418 G N 2.365 111.147 108.800 -0.030 0.000 2.828 418 G HA2 -0.137 3.823 3.960 0.000 0.000 0.262 418 G HA3 -0.137 3.823 3.960 0.000 0.000 0.262 418 G C -1.356 173.525 174.900 -0.030 0.000 1.033 418 G CA -0.233 44.854 45.100 -0.022 0.000 1.248 418 G HN 0.598 nan 8.290 nan 0.000 0.551 419 L N 2.126 123.338 121.223 -0.019 0.000 2.381 419 L HA 0.928 5.268 4.340 0.000 0.000 0.274 419 L C 0.042 176.932 176.870 0.034 0.000 0.988 419 L CA -0.183 54.648 54.840 -0.016 0.000 0.824 419 L CB 2.480 44.514 42.059 -0.041 0.000 1.263 419 L HN 0.587 nan 8.230 nan 0.000 0.410 420 T N 3.428 118.024 114.554 0.069 0.000 2.809 420 T HA 0.795 5.145 4.350 0.000 0.000 0.284 420 T C -0.240 174.569 174.700 0.181 0.000 0.992 420 T CA -0.116 62.054 62.100 0.117 0.000 0.957 420 T CB 0.612 69.543 68.868 0.105 0.000 0.942 420 T HN 0.937 nan 8.240 nan 0.000 0.439 421 G N 3.626 112.565 108.800 0.231 0.000 2.416 421 G HA2 0.597 4.557 3.960 0.000 0.000 0.324 421 G HA3 0.597 4.557 3.960 0.000 0.000 0.324 421 G C -1.892 173.314 174.900 0.509 0.000 1.194 421 G CA -0.584 44.727 45.100 0.353 0.000 0.922 421 G HN 0.751 nan 8.290 nan 0.000 0.467 422 Y N 1.213 121.689 120.300 0.292 0.000 2.457 422 Y HA 0.705 5.255 4.550 0.000 0.000 0.343 422 Y C -0.451 175.367 175.900 -0.138 0.000 0.994 422 Y CA -0.658 57.479 58.100 0.062 0.000 1.031 422 Y CB 2.679 41.161 38.460 0.036 0.000 1.246 422 Y HN 0.695 nan 8.280 nan 0.000 0.449 423 T N 3.281 117.158 114.554 -1.128 0.000 2.883 423 T HA 0.282 4.632 4.350 0.000 0.000 0.301 423 T C -0.913 173.243 174.700 -0.906 0.000 1.158 423 T CA -0.422 61.185 62.100 -0.821 0.000 1.007 423 T CB 1.073 69.445 68.868 -0.827 0.000 1.186 423 T HN 0.760 nan 8.240 nan 0.000 0.499 424 D N 1.001 121.172 120.400 -0.382 0.000 2.469 424 D HA 0.238 4.878 4.640 0.000 0.000 0.215 424 D C -0.255 175.954 176.300 -0.152 0.000 1.154 424 D CA -0.141 53.730 54.000 -0.215 0.000 0.832 424 D CB 0.469 41.282 40.800 0.021 0.000 1.008 424 D HN 0.347 nan 8.370 nan 0.000 0.506 425 D N 0.621 120.915 120.400 -0.178 0.000 2.402 425 D HA 0.253 4.893 4.640 0.000 0.000 0.252 425 D C -2.091 174.137 176.300 -0.121 0.000 1.294 425 D CA -1.958 51.977 54.000 -0.108 0.000 0.948 425 D CB 2.337 43.106 40.800 -0.051 0.000 1.202 425 D HN -0.241 nan 8.370 nan 0.000 0.561 426 P HA 0.022 nan 4.420 nan 0.000 0.226 426 P C 0.754 178.045 177.300 -0.015 0.000 1.153 426 P CA 0.505 63.558 63.100 -0.077 0.000 0.777 426 P CB 0.396 32.058 31.700 -0.065 0.000 0.794 427 N N -0.978 117.716 118.700 -0.010 0.000 2.412 427 N HA 0.088 4.828 4.740 0.000 0.000 0.184 427 N C 1.479 177.009 175.510 0.034 0.000 1.101 427 N CA 0.401 53.459 53.050 0.015 0.000 0.881 427 N CB -0.163 38.329 38.487 0.009 0.000 0.969 427 N HN 0.246 nan 8.380 nan 0.000 0.459 428 L N -0.059 121.185 121.223 0.035 0.000 2.109 428 L HA 0.094 4.434 4.340 0.000 0.000 0.207 428 L C 0.877 177.805 176.870 0.095 0.000 1.086 428 L CA 0.759 55.636 54.840 0.061 0.000 0.760 428 L CB 0.087 42.179 42.059 0.055 0.000 0.910 428 L HN 0.082 nan 8.230 nan 0.000 0.437 429 L N -0.198 121.101 121.223 0.127 0.000 2.406 429 L HA 0.259 4.599 4.340 0.000 0.000 0.270 429 L C 0.439 177.394 176.870 0.142 0.000 0.982 429 L CA -0.119 54.815 54.840 0.156 0.000 0.843 429 L CB 1.615 43.820 42.059 0.243 0.000 1.225 429 L HN -0.002 nan 8.230 nan 0.000 0.412 430 T N -1.464 113.149 114.554 0.098 0.000 3.043 430 T HA 0.174 4.524 4.350 0.000 0.000 0.272 430 T C 0.723 175.463 174.700 0.068 0.000 0.990 430 T CA 0.189 62.337 62.100 0.080 0.000 0.897 430 T CB 0.450 69.355 68.868 0.061 0.000 1.111 430 T HN 0.679 nan 8.240 nan 0.000 0.529 431 E N 1.650 121.890 120.200 0.066 0.000 2.068 431 E HA 0.190 4.540 4.350 0.000 0.000 0.201 431 E C -0.440 176.188 176.600 0.047 0.000 0.947 431 E CA 0.505 56.940 56.400 0.058 0.000 0.909 431 E CB 0.787 30.529 29.700 0.069 0.000 1.015 431 E HN 0.274 nan 8.360 nan 0.000 0.484 432 T N 0.513 115.092 114.554 0.043 0.000 2.921 432 T HA 0.257 4.607 4.350 0.000 0.000 0.297 432 T C 0.581 175.256 174.700 -0.041 0.000 1.013 432 T CA -0.638 61.479 62.100 0.028 0.000 0.990 432 T CB 2.060 70.987 68.868 0.099 0.000 1.023 432 T HN 0.025 nan 8.240 nan 0.000 0.447 433 V N 2.666 122.506 119.914 -0.124 0.000 2.283 433 V HA 0.057 4.177 4.120 0.000 0.000 0.243 433 V C 0.747 176.722 176.094 -0.198 0.000 1.039 433 V CA 0.975 63.094 62.300 -0.301 0.000 1.016 433 V CB -0.048 31.436 31.823 -0.565 0.000 0.650 433 V HN 0.633 nan 8.190 nan 0.000 0.449 434 V N 1.323 121.166 119.914 -0.119 0.000 2.444 434 V HA 0.583 4.703 4.120 0.000 0.000 0.294 434 V C -0.375 175.704 176.094 -0.024 0.000 1.022 434 V CA -0.274 61.979 62.300 -0.079 0.000 0.850 434 V CB 1.655 33.433 31.823 -0.075 0.000 0.992 434 V HN 0.487 nan 8.190 nan 0.000 0.426 435 S N 3.930 119.613 115.700 -0.029 0.000 2.500 435 S HA 0.832 5.303 4.470 0.000 0.000 0.301 435 S C -0.975 173.601 174.600 -0.039 0.000 1.092 435 S CA -0.749 57.441 58.200 -0.016 0.000 1.030 435 S CB 1.993 65.202 63.200 0.015 0.000 1.031 435 S HN 0.398 nan 8.310 nan 0.000 0.483 436 V N 3.387 123.259 119.914 -0.071 0.000 2.357 436 V HA 0.522 4.642 4.120 0.000 0.000 0.281 436 V C -0.342 175.681 176.094 -0.120 0.000 1.015 436 V CA -0.241 62.026 62.300 -0.055 0.000 0.827 436 V CB 0.432 32.229 31.823 -0.043 0.000 1.018 436 V HN 1.011 nan 8.190 nan 0.000 0.432 437 Q N 2.135 121.887 119.800 -0.079 0.000 2.831 437 Q HA 0.640 4.980 4.340 0.000 0.000 0.322 437 Q C -0.781 175.194 176.000 -0.042 0.000 0.923 437 Q CA -1.271 54.397 55.803 -0.225 0.000 0.767 437 Q CB 2.221 30.698 28.738 -0.436 0.000 1.469 437 Q HN 0.483 nan 8.270 nan 0.000 0.496 438 F N 1.197 121.122 119.950 -0.042 0.000 2.969 438 F HA -0.306 4.221 4.527 0.000 0.000 0.273 438 F C 0.568 176.438 175.800 0.118 0.000 0.986 438 F CA 0.941 58.954 58.000 0.021 0.000 0.926 438 F CB -1.185 37.770 39.000 -0.075 0.000 0.887 438 F HN 0.661 nan 8.300 nan 0.000 0.816 439 R N -3.165 117.438 120.500 0.172 0.000 3.840 439 R HA -0.181 4.159 4.340 0.000 0.000 0.464 439 R C 0.656 177.053 176.300 0.161 0.000 0.986 439 R CA 0.628 56.823 56.100 0.158 0.000 1.305 439 R CB -1.651 28.764 30.300 0.190 0.000 1.950 439 R HN 0.657 nan 8.270 nan 0.000 0.526 440 A N 2.048 124.968 122.820 0.166 0.000 2.498 440 A HA 0.403 4.723 4.320 0.000 0.000 0.239 440 A C 0.659 178.303 177.584 0.100 0.000 1.068 440 A CA 0.505 52.638 52.037 0.161 0.000 0.766 440 A CB 0.190 19.282 19.000 0.152 0.000 1.003 440 A HN 0.407 nan 8.150 nan 0.000 0.497 441 R N 1.526 122.089 120.500 0.106 0.000 2.710 441 R HA 0.514 4.854 4.340 0.000 0.000 0.270 441 R C -0.677 175.620 176.300 -0.006 0.000 1.021 441 R CA -0.921 55.223 56.100 0.073 0.000 0.889 441 R CB 0.743 31.124 30.300 0.134 0.000 1.243 441 R HN 0.637 nan 8.270 nan 0.000 0.464 442 N N -0.033 118.645 118.700 -0.037 0.000 2.696 442 N HA -0.166 4.574 4.740 0.000 0.000 0.256 442 N C -1.028 174.369 175.510 -0.188 0.000 1.031 442 N CA 1.058 54.023 53.050 -0.142 0.000 0.730 442 N CB -0.970 37.347 38.487 -0.283 0.000 0.894 442 N HN 0.531 nan 8.380 nan 0.000 0.544 443 C N 0.275 119.520 119.300 -0.092 0.000 2.435 443 C HA 0.691 5.151 4.460 0.000 0.000 0.333 443 C C 0.886 175.843 174.990 -0.054 0.000 1.202 443 C CA -0.426 58.552 59.018 -0.068 0.000 1.830 443 C CB 2.003 29.730 27.740 -0.022 0.000 2.326 443 C HN 0.502 nan 8.230 nan 0.000 0.507 444 S N 1.860 117.531 115.700 -0.049 0.000 2.571 444 S HA 0.784 5.254 4.470 0.000 0.000 0.284 444 S C -1.457 173.123 174.600 -0.032 0.000 1.128 444 S CA -0.476 57.700 58.200 -0.039 0.000 0.970 444 S CB 0.423 63.597 63.200 -0.043 0.000 1.039 444 S HN 0.611 nan 8.310 nan 0.000 0.485 445 L N 4.996 126.203 121.223 -0.028 0.000 2.349 445 L HA 0.630 4.970 4.340 0.000 0.000 0.278 445 L C -0.168 176.689 176.870 -0.022 0.000 0.996 445 L CA -0.687 54.137 54.840 -0.027 0.000 0.825 445 L CB 1.787 43.831 42.059 -0.026 0.000 1.243 445 L HN 0.614 nan 8.230 nan 0.000 0.412 446 N N 2.159 120.846 118.700 -0.022 0.000 2.260 446 N HA 0.414 5.154 4.740 0.000 0.000 0.293 446 N C -0.064 175.438 175.510 -0.014 0.000 1.058 446 N CA 0.166 53.206 53.050 -0.016 0.000 0.824 446 N CB 2.676 41.155 38.487 -0.015 0.000 1.551 446 N HN 0.777 nan 8.380 nan 0.000 0.475 447 G N 1.612 110.408 108.800 -0.006 0.000 2.473 447 G HA2 -0.159 3.801 3.960 0.000 0.000 0.289 447 G HA3 -0.159 3.801 3.960 0.000 0.000 0.289 447 G C -0.891 174.010 174.900 0.002 0.000 1.084 447 G CA 0.015 45.114 45.100 -0.001 0.000 1.215 447 G HN 0.441 nan 8.290 nan 0.000 0.527 448 V N 0.715 120.633 119.914 0.008 0.000 2.540 448 V HA 0.722 4.842 4.120 0.000 0.000 0.302 448 V C 0.291 176.406 176.094 0.035 0.000 1.035 448 V CA -0.894 61.416 62.300 0.015 0.000 0.873 448 V CB 2.204 34.029 31.823 0.004 0.000 0.992 448 V HN 0.605 nan 8.190 nan 0.000 0.428 449 V N 6.175 126.123 119.914 0.057 0.000 2.443 449 V HA 0.530 4.650 4.120 0.000 0.000 0.293 449 V C -0.516 175.654 176.094 0.127 0.000 1.021 449 V CA -0.448 61.903 62.300 0.085 0.000 0.848 449 V CB 1.648 33.525 31.823 0.090 0.000 0.998 449 V HN 0.652 nan 8.190 nan 0.000 0.424 450 L N 4.710 126.019 121.223 0.142 0.000 2.325 450 L HA 0.781 5.121 4.340 0.000 0.000 0.281 450 L C -0.011 177.020 176.870 0.269 0.000 1.004 450 L CA -0.243 54.733 54.840 0.227 0.000 0.823 450 L CB 2.133 44.269 42.059 0.128 0.000 1.236 450 L HN 0.777 nan 8.230 nan 0.000 0.415 451 T N -0.512 114.214 114.554 0.287 0.000 2.881 451 T HA 0.655 5.005 4.350 0.000 0.000 0.290 451 T C 0.588 175.124 174.700 -0.273 0.000 1.000 451 T CA 0.308 62.454 62.100 0.076 0.000 0.978 451 T CB 1.916 70.837 68.868 0.088 0.000 0.997 451 T HN 0.908 nan 8.240 nan 0.000 0.443 452 G N 2.419 111.068 108.800 -0.251 0.000 2.176 452 G HA2 -0.191 3.769 3.960 0.000 0.000 0.232 452 G HA3 -0.191 3.769 3.960 0.000 0.000 0.232 452 G C 0.097 174.734 174.900 -0.438 0.000 0.986 452 G CA -0.094 44.738 45.100 -0.447 0.000 0.643 452 G HN 0.751 nan 8.290 nan 0.000 0.522 453 F N 3.006 122.901 119.950 -0.091 0.000 2.705 453 F HA 0.357 4.884 4.527 0.000 0.000 0.355 453 F C 1.972 177.751 175.800 -0.035 0.000 1.172 453 F CA 0.530 58.499 58.000 -0.051 0.000 1.332 453 F CB 0.296 39.282 39.000 -0.022 0.000 1.621 453 F HN 0.227 nan 8.300 nan 0.000 0.605 454 S N -1.590 114.122 115.700 0.021 0.000 2.607 454 S HA -0.071 4.399 4.470 0.000 0.000 0.224 454 S C 1.304 175.908 174.600 0.006 0.000 0.969 454 S CA 0.376 58.577 58.200 0.001 0.000 0.927 454 S CB -0.200 62.970 63.200 -0.049 0.000 0.772 454 S HN 0.430 nan 8.310 nan 0.000 0.533 455 N N 1.925 120.644 118.700 0.032 0.000 2.282 455 N HA 0.189 4.929 4.740 0.000 0.000 0.240 455 N C -0.544 175.002 175.510 0.060 0.000 1.182 455 N CA -0.074 52.995 53.050 0.031 0.000 0.874 455 N CB 0.917 39.414 38.487 0.018 0.000 1.126 455 N HN 0.509 nan 8.380 nan 0.000 0.516 456 S N -1.114 114.642 115.700 0.093 0.000 2.578 456 S HA 0.301 4.771 4.470 0.000 0.000 0.283 456 S C 1.138 175.783 174.600 0.076 0.000 1.195 456 S CA -0.550 57.706 58.200 0.094 0.000 1.050 456 S CB 2.311 65.584 63.200 0.120 0.000 1.012 456 S HN 0.108 nan 8.310 nan 0.000 0.511 457 E N 2.077 122.316 120.200 0.066 0.000 2.072 457 E HA -0.015 4.335 4.350 0.000 0.000 0.190 457 E C -0.218 176.449 176.600 0.111 0.000 0.982 457 E CA 1.159 57.607 56.400 0.080 0.000 0.803 457 E CB 0.115 29.843 29.700 0.048 0.000 0.755 457 E HN 0.742 nan 8.360 nan 0.000 0.453 458 N N -0.910 117.823 118.700 0.054 0.000 2.249 458 N HA 0.245 4.985 4.740 0.000 0.000 0.296 458 N C 0.185 175.719 175.510 0.040 0.000 1.051 458 N CA 0.230 53.305 53.050 0.043 0.000 0.815 458 N CB 1.825 40.273 38.487 -0.065 0.000 1.487 458 N HN 0.155 nan 8.380 nan 0.000 0.475 459 G N 1.508 110.341 108.800 0.056 0.000 2.496 459 G HA2 0.079 4.039 3.960 0.000 0.000 0.214 459 G HA3 0.079 4.039 3.960 0.000 0.000 0.214 459 G C 0.396 175.290 174.900 -0.011 0.000 1.234 459 G CA 0.584 45.691 45.100 0.011 0.000 0.807 459 G HN 0.534 nan 8.290 nan 0.000 0.543 460 I N -0.538 120.047 120.570 0.025 0.000 2.406 460 I HA 0.365 4.535 4.170 0.000 0.000 0.290 460 I C -1.586 174.605 176.117 0.123 0.000 0.999 460 I CA -0.932 60.391 61.300 0.039 0.000 1.124 460 I CB 2.347 40.355 38.000 0.014 0.000 1.289 460 I HN 0.097 nan 8.210 nan 0.000 0.441 461 Y N 7.036 127.306 120.300 -0.050 0.000 2.326 461 Y HA 0.605 5.155 4.550 0.000 0.000 0.329 461 Y C -1.185 174.674 175.900 -0.068 0.000 0.973 461 Y CA -1.293 56.770 58.100 -0.062 0.000 1.162 461 Y CB 1.434 39.856 38.460 -0.063 0.000 1.147 461 Y HN 0.193 nan 8.280 nan 0.000 0.456 462 V N 7.950 127.804 119.914 -0.101 0.000 2.417 462 V HA 0.541 4.661 4.120 0.000 0.000 0.291 462 V C -0.243 175.631 176.094 -0.368 0.000 1.024 462 V CA -0.716 61.452 62.300 -0.220 0.000 0.861 462 V CB 1.628 33.398 31.823 -0.089 0.000 0.985 462 V HN 0.618 nan 8.190 nan 0.000 0.436 463 I N 3.350 123.671 120.570 -0.414 0.000 2.545 463 I HA 0.765 4.935 4.170 0.000 0.000 0.292 463 I C 0.672 176.654 176.117 -0.226 0.000 1.040 463 I CA -0.282 60.799 61.300 -0.364 0.000 1.068 463 I CB 2.171 39.862 38.000 -0.514 0.000 1.251 463 I HN 0.730 nan 8.210 nan 0.000 0.424 464 G N 2.463 111.173 108.800 -0.150 0.000 3.107 464 G HA2 0.600 4.560 3.960 0.000 0.000 0.232 464 G HA3 0.600 4.560 3.960 0.000 0.000 0.232 464 G C 0.202 175.060 174.900 -0.071 0.000 1.339 464 G CA -0.391 44.656 45.100 -0.088 0.000 1.033 464 G HN 0.739 nan 8.290 nan 0.000 0.567 465 G N -1.548 107.232 108.800 -0.033 0.000 3.979 465 G HA2 0.374 4.334 3.960 0.000 0.000 0.287 465 G HA3 0.374 4.334 3.960 0.000 0.000 0.287 465 G C 0.347 175.241 174.900 -0.009 0.000 1.011 465 G CA 0.992 46.081 45.100 -0.019 0.000 0.818 465 G HN 1.225 nan 8.290 nan 0.000 0.470 466 S N -0.241 115.452 115.700 -0.011 0.000 3.581 466 S HA -0.180 4.290 4.470 0.000 0.000 0.354 466 S C 0.854 175.457 174.600 0.004 0.000 1.059 466 S CA 0.733 58.931 58.200 -0.004 0.000 1.060 466 S CB -0.961 62.236 63.200 -0.005 0.000 0.908 466 S HN 0.749 nan 8.310 nan 0.000 0.475 467 R N 0.885 121.392 120.500 0.010 0.000 2.490 467 R HA 0.483 4.823 4.340 0.000 0.000 0.278 467 R C 1.057 177.369 176.300 0.021 0.000 1.069 467 R CA 0.118 56.229 56.100 0.018 0.000 1.080 467 R CB 0.511 30.829 30.300 0.030 0.000 1.030 467 R HN 0.285 nan 8.270 nan 0.000 0.491 468 G N -0.115 108.696 108.800 0.018 0.000 2.398 468 G HA2 0.356 4.316 3.960 0.000 0.000 0.246 468 G HA3 0.356 4.316 3.960 0.000 0.000 0.246 468 G C 0.842 175.760 174.900 0.030 0.000 1.289 468 G CA 0.154 45.265 45.100 0.018 0.000 0.869 468 G HN 0.776 nan 8.290 nan 0.000 0.543 469 G N 1.472 110.291 108.800 0.032 0.000 2.155 469 G HA2 -0.265 3.695 3.960 0.000 0.000 0.257 469 G HA3 -0.265 3.695 3.960 0.000 0.000 0.257 469 G C 0.314 175.255 174.900 0.067 0.000 0.983 469 G CA 0.497 45.626 45.100 0.047 0.000 0.676 469 G HN 0.918 nan 8.290 nan 0.000 0.528 470 D N 0.579 121.011 120.400 0.054 0.000 2.329 470 D HA 0.749 5.389 4.640 0.000 0.000 0.246 470 D C 0.321 176.639 176.300 0.030 0.000 1.111 470 D CA 0.906 54.938 54.000 0.053 0.000 0.941 470 D CB 1.283 42.107 40.800 0.040 0.000 1.169 470 D HN 1.143 nan 8.370 nan 0.000 0.441 471 A N 1.466 124.296 122.820 0.016 0.000 2.594 471 A HA 0.532 4.852 4.320 0.000 0.000 0.296 471 A C -1.719 175.856 177.584 -0.015 0.000 1.061 471 A CA -0.665 51.373 52.037 0.001 0.000 0.689 471 A CB 1.528 20.530 19.000 0.003 0.000 1.280 471 A HN 0.385 nan 8.150 nan 0.000 0.406 472 V N 2.627 122.530 119.914 -0.018 0.000 2.577 472 V HA 0.653 4.773 4.120 0.000 0.000 0.303 472 V C -1.614 174.465 176.094 -0.024 0.000 1.042 472 V CA -0.822 61.463 62.300 -0.026 0.000 0.872 472 V CB 1.911 33.716 31.823 -0.029 0.000 0.998 472 V HN 0.857 nan 8.190 nan 0.000 0.423 473 N N 7.012 125.697 118.700 -0.025 0.000 2.407 473 N HA 0.606 5.346 4.740 0.000 0.000 0.277 473 N C -1.143 174.353 175.510 -0.023 0.000 0.995 473 N CA -0.142 52.895 53.050 -0.021 0.000 0.903 473 N CB 2.237 40.714 38.487 -0.017 0.000 1.218 473 N HN 0.605 nan 8.380 nan 0.000 0.487 474 I N 1.260 121.816 120.570 -0.023 0.000 2.439 474 I HA 0.310 4.480 4.170 0.000 0.000 0.285 474 I C -0.342 175.762 176.117 -0.022 0.000 1.021 474 I CA -0.464 60.823 61.300 -0.023 0.000 1.091 474 I CB 1.512 39.498 38.000 -0.024 0.000 1.242 474 I HN 0.455 nan 8.210 nan 0.000 0.439 475 S N 4.018 119.708 115.700 -0.017 0.000 2.564 475 S HA 0.533 5.003 4.470 0.000 0.000 0.274 475 S C -0.465 174.130 174.600 -0.008 0.000 1.124 475 S CA -0.891 57.301 58.200 -0.013 0.000 0.869 475 S CB 1.865 65.061 63.200 -0.007 0.000 1.105 475 S HN 0.650 nan 8.310 nan 0.000 0.472 476 N N -0.288 118.409 118.700 -0.005 0.000 2.681 476 N HA -0.106 4.634 4.740 0.000 0.000 0.259 476 N C -1.094 174.418 175.510 0.003 0.000 1.066 476 N CA 0.626 53.676 53.050 0.000 0.000 0.717 476 N CB -1.294 37.194 38.487 0.002 0.000 0.885 476 N HN 0.645 nan 8.380 nan 0.000 0.547 477 V N 0.427 120.342 119.914 0.002 0.000 2.459 477 V HA 0.569 4.689 4.120 0.000 0.000 0.295 477 V C 0.640 176.744 176.094 0.017 0.000 1.029 477 V CA -0.438 61.867 62.300 0.007 0.000 0.874 477 V CB 2.190 34.012 31.823 -0.001 0.000 0.985 477 V HN 0.365 nan 8.190 nan 0.000 0.438 478 T N 6.338 120.912 114.554 0.033 0.000 2.812 478 T HA 0.699 5.049 4.350 0.000 0.000 0.282 478 T C -1.042 173.700 174.700 0.070 0.000 0.990 478 T CA -0.353 61.775 62.100 0.047 0.000 0.960 478 T CB 0.543 69.439 68.868 0.047 0.000 0.948 478 T HN 0.451 nan 8.240 nan 0.000 0.438 479 L N 5.235 126.508 121.223 0.085 0.000 2.325 479 L HA 0.544 4.884 4.340 0.000 0.000 0.281 479 L C 0.111 177.059 176.870 0.130 0.000 1.004 479 L CA -0.865 54.046 54.840 0.118 0.000 0.823 479 L CB 1.650 43.790 42.059 0.135 0.000 1.236 479 L HN 0.641 nan 8.230 nan 0.000 0.415 480 N N 3.532 122.304 118.700 0.120 0.000 2.621 480 N HA 0.213 4.953 4.740 0.000 0.000 0.237 480 N C -0.417 175.133 175.510 0.066 0.000 0.997 480 N CA -0.374 52.728 53.050 0.087 0.000 0.918 480 N CB 0.348 38.880 38.487 0.074 0.000 1.122 480 N HN 0.520 nan 8.380 nan 0.000 0.510 481 N N 1.229 119.958 118.700 0.048 0.000 2.714 481 N HA -0.174 4.566 4.740 0.000 0.000 0.252 481 N C -1.336 174.210 175.510 0.060 0.000 1.014 481 N CA 0.910 53.963 53.050 0.004 0.000 0.735 481 N CB -1.142 37.322 38.487 -0.038 0.000 0.924 481 N HN 0.363 nan 8.380 nan 0.000 0.540 482 S N 0.047 115.830 115.700 0.139 0.000 2.745 482 S HA 0.673 5.143 4.470 0.000 0.000 0.283 482 S C 0.529 175.244 174.600 0.190 0.000 1.170 482 S CA -0.139 58.186 58.200 0.209 0.000 1.119 482 S CB 1.785 65.159 63.200 0.290 0.000 1.035 482 S HN 0.801 nan 8.310 nan 0.000 0.483 483 G N 2.657 111.553 108.800 0.160 0.000 3.434 483 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 483 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 483 G C 0.189 175.198 174.900 0.182 0.000 1.099 483 G CA -0.961 44.231 45.100 0.154 0.000 0.931 483 G HN 0.585 nan 8.290 nan 0.000 0.520 484 R N 0.541 121.101 120.500 0.100 0.000 2.091 484 R HA -0.093 4.247 4.340 0.000 0.000 0.238 484 R C 0.371 176.641 176.300 -0.050 0.000 1.136 484 R CA 1.423 57.526 56.100 0.006 0.000 0.959 484 R CB -0.021 30.246 30.300 -0.055 0.000 0.856 484 R HN 0.586 nan 8.270 nan 0.000 0.437 485 Y N -0.512 119.839 120.300 0.085 0.000 2.353 485 Y HA 0.221 4.771 4.550 0.000 0.000 0.340 485 Y C 1.373 177.282 175.900 0.015 0.000 0.972 485 Y CA -0.569 57.548 58.100 0.028 0.000 1.157 485 Y CB 1.660 40.081 38.460 -0.065 0.000 1.157 485 Y HN 0.032 nan 8.280 nan 0.000 0.495 486 G N 2.338 111.171 108.800 0.055 0.000 2.434 486 G HA2 -0.049 3.911 3.960 0.000 0.000 0.214 486 G HA3 -0.049 3.911 3.960 0.000 0.000 0.214 486 G C -0.078 174.835 174.900 0.020 0.000 1.202 486 G CA 0.559 45.662 45.100 0.006 0.000 0.788 486 G HN 0.386 nan 8.290 nan 0.000 0.539 487 V N 0.323 120.237 119.914 -0.001 0.000 2.443 487 V HA 0.586 4.706 4.120 0.000 0.000 0.293 487 V C -0.632 175.487 176.094 0.041 0.000 1.021 487 V CA -0.684 61.627 62.300 0.017 0.000 0.848 487 V CB 1.611 33.426 31.823 -0.014 0.000 0.998 487 V HN 0.266 nan 8.190 nan 0.000 0.424 488 S N 6.144 121.883 115.700 0.066 0.000 2.478 488 S HA 0.720 5.190 4.470 0.000 0.000 0.312 488 S C -0.829 173.866 174.600 0.158 0.000 1.094 488 S CA -0.608 57.620 58.200 0.047 0.000 1.081 488 S CB 0.643 63.748 63.200 -0.160 0.000 1.007 488 S HN 0.472 nan 8.310 nan 0.000 0.475 489 I N 4.870 125.490 120.570 0.082 0.000 2.362 489 I HA 0.425 4.595 4.170 0.000 0.000 0.289 489 I C 1.124 177.281 176.117 0.066 0.000 0.994 489 I CA -0.386 60.949 61.300 0.059 0.000 1.158 489 I CB 0.573 38.577 38.000 0.007 0.000 1.315 489 I HN 0.759 nan 8.210 nan 0.000 0.451 490 G N 4.617 113.450 108.800 0.056 0.000 2.574 490 G HA2 0.460 4.420 3.960 0.000 0.000 0.248 490 G HA3 0.460 4.420 3.960 0.000 0.000 0.248 490 G C 0.055 174.938 174.900 -0.029 0.000 1.422 490 G CA -0.291 44.834 45.100 0.042 0.000 1.051 490 G HN 0.640 nan 8.290 nan 0.000 0.560 491 S N -2.001 113.673 115.700 -0.044 0.000 2.600 491 S HA 0.450 4.920 4.470 0.000 0.000 0.265 491 S C 1.288 175.851 174.600 -0.062 0.000 1.325 491 S CA 0.664 58.838 58.200 -0.044 0.000 1.002 491 S CB 0.935 64.113 63.200 -0.037 0.000 0.921 491 S HN 2.389 nan 8.310 nan 0.000 0.554 492 G N -0.076 108.699 108.800 -0.043 0.000 2.162 492 G HA2 -0.225 3.735 3.960 0.000 0.000 0.260 492 G HA3 -0.225 3.735 3.960 0.000 0.000 0.260 492 G C -0.161 174.717 174.900 -0.036 0.000 0.976 492 G CA 0.292 45.368 45.100 -0.040 0.000 0.655 492 G HN 0.812 nan 8.290 nan 0.000 0.533 493 I N 0.743 121.291 120.570 -0.036 0.000 2.354 493 I HA 0.347 4.517 4.170 0.000 0.000 0.286 493 I C 1.011 177.117 176.117 -0.019 0.000 1.007 493 I CA -0.632 60.650 61.300 -0.030 0.000 1.167 493 I CB 1.405 39.381 38.000 -0.039 0.000 1.320 493 I HN 0.080 nan 8.210 nan 0.000 0.458 494 E N 3.985 124.178 120.200 -0.011 0.000 2.389 494 E HA 0.168 4.518 4.350 0.000 0.000 0.199 494 E C -0.154 176.444 176.600 -0.004 0.000 0.978 494 E CA 0.301 56.697 56.400 -0.006 0.000 0.912 494 E CB 0.483 30.182 29.700 -0.001 0.000 0.907 494 E HN 0.547 nan 8.360 nan 0.000 0.494 495 N N 1.552 120.249 118.700 -0.004 0.000 2.626 495 N HA 0.185 4.925 4.740 0.000 0.000 0.249 495 N C -0.802 174.702 175.510 -0.010 0.000 1.021 495 N CA -0.027 53.022 53.050 -0.002 0.000 0.886 495 N CB 2.438 40.929 38.487 0.007 0.000 1.149 495 N HN -0.110 nan 8.380 nan 0.000 0.517 496 V N -0.819 119.085 119.914 -0.018 0.000 2.709 496 V HA 0.653 4.773 4.120 0.000 0.000 0.308 496 V C -0.095 175.978 176.094 -0.035 0.000 1.062 496 V CA -0.742 61.542 62.300 -0.026 0.000 0.901 496 V CB 1.893 33.697 31.823 -0.032 0.000 1.003 496 V HN 0.400 nan 8.190 nan 0.000 0.425 497 S N 4.635 120.315 115.700 -0.033 0.000 2.498 497 S HA 0.800 5.270 4.470 0.000 0.000 0.317 497 S C -0.823 173.747 174.600 -0.049 0.000 1.090 497 S CA -0.557 57.617 58.200 -0.043 0.000 1.089 497 S CB 0.503 63.694 63.200 -0.015 0.000 0.997 497 S HN 0.731 nan 8.310 nan 0.000 0.470 498 I N 4.908 125.434 120.570 -0.073 0.000 2.448 498 I HA 0.357 4.527 4.170 0.000 0.000 0.281 498 I C -0.346 175.724 176.117 -0.078 0.000 1.027 498 I CA -0.359 60.901 61.300 -0.066 0.000 1.111 498 I CB 2.038 39.997 38.000 -0.069 0.000 1.236 498 I HN 0.676 nan 8.210 nan 0.000 0.452 499 T N 1.282 115.804 114.554 -0.053 0.000 2.893 499 T HA 0.454 4.804 4.350 0.000 0.000 0.293 499 T C -0.196 174.487 174.700 -0.029 0.000 1.027 499 T CA -0.853 61.219 62.100 -0.046 0.000 0.988 499 T CB 1.624 70.477 68.868 -0.025 0.000 1.043 499 T HN 0.493 nan 8.240 nan 0.000 0.461 500 N N 1.220 119.904 118.700 -0.027 0.000 2.681 500 N HA -0.106 4.634 4.740 0.000 0.000 0.259 500 N C -0.942 174.559 175.510 -0.015 0.000 1.066 500 N CA 0.420 53.461 53.050 -0.014 0.000 0.717 500 N CB -1.082 37.403 38.487 -0.003 0.000 0.885 500 N HN 0.696 nan 8.380 nan 0.000 0.547 501 I N 0.332 120.887 120.570 -0.025 0.000 2.378 501 I HA 0.381 4.551 4.170 0.000 0.000 0.291 501 I C 0.782 176.885 176.117 -0.022 0.000 0.992 501 I CA -0.636 60.648 61.300 -0.027 0.000 1.154 501 I CB 1.632 39.603 38.000 -0.048 0.000 1.315 501 I HN 0.274 nan 8.210 nan 0.000 0.448 502 S N 3.744 119.441 115.700 -0.004 0.000 2.548 502 S HA 0.963 5.433 4.470 0.000 0.000 0.286 502 S C -0.401 174.221 174.600 0.037 0.000 1.098 502 S CA -0.761 57.446 58.200 0.011 0.000 0.930 502 S CB 2.546 65.760 63.200 0.023 0.000 1.070 502 S HN 0.931 nan 8.310 nan 0.000 0.480 503 G N 0.945 109.789 108.800 0.073 0.000 2.731 503 G HA2 0.630 4.590 3.960 0.000 0.000 0.298 503 G HA3 0.630 4.590 3.960 0.000 0.000 0.298 503 G C -1.388 173.660 174.900 0.246 0.000 1.424 503 G CA -0.832 44.377 45.100 0.181 0.000 1.029 503 G HN 0.787 nan 8.290 nan 0.000 0.518 504 I N 1.732 122.422 120.570 0.199 0.000 2.354 504 I HA 0.473 4.644 4.170 0.000 0.000 0.292 504 I C 1.124 177.241 176.117 0.000 0.000 0.989 504 I CA -0.570 60.790 61.300 0.100 0.000 1.188 504 I CB 2.253 40.283 38.000 0.050 0.000 1.342 504 I HN 0.648 nan 8.210 nan 0.000 0.457 505 G N 3.260 111.942 108.800 -0.196 0.000 3.228 505 G HA2 0.002 3.962 3.960 0.000 0.000 0.245 505 G HA3 0.002 3.962 3.960 0.000 0.000 0.245 505 G C 0.762 175.458 174.900 -0.340 0.000 1.051 505 G CA -0.091 44.660 45.100 -0.582 0.000 0.809 505 G HN 0.554 nan 8.290 nan 0.000 0.531 506 D N 1.502 121.794 120.400 -0.180 0.000 2.182 506 D HA -0.095 4.545 4.640 0.000 0.000 0.201 506 D C 2.267 178.502 176.300 -0.108 0.000 0.986 506 D CA 1.434 55.362 54.000 -0.120 0.000 0.847 506 D CB 0.089 40.848 40.800 -0.068 0.000 0.942 506 D HN 0.371 nan 8.370 nan 0.000 0.467 507 G N -0.115 108.622 108.800 -0.104 0.000 3.189 507 G HA2 0.220 4.180 3.960 0.000 0.000 0.225 507 G HA3 0.220 4.180 3.960 0.000 0.000 0.225 507 G C 0.683 175.526 174.900 -0.094 0.000 1.159 507 G CA -0.306 44.744 45.100 -0.084 0.000 0.763 507 G HN 0.122 nan 8.290 nan 0.000 0.549 508 I N 0.908 121.397 120.570 -0.135 0.000 2.472 508 I HA 0.073 4.243 4.170 0.000 0.000 0.290 508 I C 0.370 176.422 176.117 -0.107 0.000 1.016 508 I CA -0.521 60.702 61.300 -0.128 0.000 1.348 508 I CB 1.354 39.235 38.000 -0.198 0.000 1.417 508 I HN 0.041 nan 8.210 nan 0.000 0.521 509 N N 4.745 123.401 118.700 -0.073 0.000 2.400 509 N HA -0.028 4.712 4.740 0.000 0.000 0.267 509 N C -0.466 175.005 175.510 -0.065 0.000 1.208 509 N CA 0.073 53.089 53.050 -0.058 0.000 0.951 509 N CB 0.285 38.751 38.487 -0.035 0.000 1.227 509 N HN 0.732 nan 8.380 nan 0.000 0.488 510 S N 1.661 117.315 115.700 -0.077 0.000 3.667 510 S HA -0.094 4.376 4.470 0.000 0.000 0.405 510 S C -2.413 172.118 174.600 -0.115 0.000 0.913 510 S CA -0.191 57.959 58.200 -0.082 0.000 1.288 510 S CB -1.195 61.972 63.200 -0.055 0.000 0.905 510 S HN 0.683 nan 8.310 nan 0.000 0.550 511 P HA 0.313 nan 4.420 nan 0.000 0.272 511 P C 0.617 177.826 177.300 -0.151 0.000 1.223 511 P CA -0.360 62.618 63.100 -0.204 0.000 0.784 511 P CB 1.026 32.470 31.700 -0.427 0.000 0.923 512 V N 0.989 120.796 119.914 -0.179 0.000 2.870 512 V HA 0.454 4.574 4.120 0.000 0.000 0.232 512 V C 0.801 176.832 176.094 -0.106 0.000 1.161 512 V CA 1.295 63.433 62.300 -0.271 0.000 1.204 512 V CB -0.349 31.036 31.823 -0.731 0.000 1.003 512 V HN 0.795 nan 8.190 nan 0.000 0.499 513 A N -0.760 121.983 122.820 -0.127 0.000 2.547 513 A HA 0.595 4.915 4.320 0.000 0.000 0.297 513 A C 0.133 177.524 177.584 -0.322 0.000 1.056 513 A CA -0.362 51.634 52.037 -0.068 0.000 0.688 513 A CB 1.415 20.412 19.000 -0.005 0.000 1.282 513 A HN 0.154 nan 8.150 nan 0.000 0.400 514 L N 1.064 121.912 121.223 -0.625 0.000 2.017 514 L HA 0.029 4.369 4.340 0.000 0.000 0.208 514 L C -0.055 176.614 176.870 -0.335 0.000 1.073 514 L CA 1.946 56.273 54.840 -0.856 0.000 0.745 514 L CB 0.040 41.743 42.059 -0.593 0.000 0.894 514 L HN 0.540 nan 8.230 nan 0.000 0.432 515 V N -0.785 119.033 119.914 -0.160 0.000 2.709 515 V HA 0.378 4.498 4.120 0.000 0.000 0.308 515 V C -0.530 175.580 176.094 0.027 0.000 1.062 515 V CA -0.502 61.767 62.300 -0.052 0.000 0.901 515 V CB 1.717 33.505 31.823 -0.060 0.000 1.003 515 V HN 0.228 nan 8.190 nan 0.000 0.425 516 S N 2.732 118.468 115.700 0.060 0.000 2.547 516 S HA 0.780 5.250 4.470 0.000 0.000 0.281 516 S C -0.824 173.788 174.600 0.022 0.000 1.118 516 S CA -0.278 57.967 58.200 0.076 0.000 0.947 516 S CB 1.986 65.277 63.200 0.151 0.000 1.053 516 S HN 0.776 nan 8.310 nan 0.000 0.482 517 T N 5.331 119.896 114.554 0.019 0.000 2.921 517 T HA 0.420 4.770 4.350 0.000 0.000 0.297 517 T C 0.824 175.528 174.700 0.006 0.000 1.013 517 T CA -0.585 61.519 62.100 0.006 0.000 0.990 517 T CB 1.076 69.944 68.868 -0.001 0.000 1.023 517 T HN 0.547 nan 8.240 nan 0.000 0.447 518 I N 2.502 123.072 120.570 0.000 0.000 2.339 518 I HA 0.069 4.239 4.170 0.000 0.000 0.245 518 I C 1.124 177.242 176.117 0.002 0.000 1.096 518 I CA 0.930 62.230 61.300 -0.000 0.000 1.408 518 I CB -0.786 37.212 38.000 -0.003 0.000 1.092 518 I HN 0.581 nan 8.210 nan 0.000 0.423 519 N N 0.430 119.129 118.700 -0.002 0.000 2.467 519 N HA 0.027 4.767 4.740 0.000 0.000 0.262 519 N C 1.231 176.741 175.510 0.001 0.000 1.234 519 N CA 0.333 53.382 53.050 -0.002 0.000 0.952 519 N CB 0.889 39.372 38.487 -0.006 0.000 1.158 519 N HN 0.067 nan 8.380 nan 0.000 0.463 520 S N -0.151 115.551 115.700 0.004 0.000 2.501 520 S HA -0.056 4.414 4.470 0.000 0.000 0.220 520 S C 0.488 175.084 174.600 -0.005 0.000 0.997 520 S CA 0.164 58.369 58.200 0.009 0.000 0.919 520 S CB -0.262 62.947 63.200 0.016 0.000 0.778 520 S HN 0.730 nan 8.310 nan 0.000 0.523 521 N N 1.585 120.277 118.700 -0.013 0.000 2.660 521 N HA 0.342 5.082 4.740 0.000 0.000 0.316 521 N C -3.189 172.298 175.510 -0.039 0.000 1.774 521 N CA -1.834 51.202 53.050 -0.024 0.000 0.946 521 N CB 0.254 38.737 38.487 -0.007 0.000 1.322 521 N HN 0.240 nan 8.380 nan 0.000 0.492 522 P HA 0.165 nan 4.420 nan 0.000 0.274 522 P C -0.443 176.789 177.300 -0.114 0.000 1.231 522 P CA 0.060 63.118 63.100 -0.071 0.000 0.790 522 P CB 1.408 33.065 31.700 -0.071 0.000 0.951 523 E N 1.792 121.919 120.200 -0.122 0.000 2.200 523 E HA 0.478 4.828 4.350 0.000 0.000 0.283 523 E C -0.276 176.172 176.600 -0.253 0.000 1.015 523 E CA -0.382 55.887 56.400 -0.219 0.000 0.819 523 E CB 0.710 30.312 29.700 -0.164 0.000 1.081 523 E HN 0.404 nan 8.360 nan 0.000 0.397 524 I N 2.018 122.374 120.570 -0.357 0.000 2.656 524 I HA 0.277 4.447 4.170 0.000 0.000 0.292 524 I C -0.523 175.395 176.117 -0.332 0.000 1.144 524 I CA -0.522 60.611 61.300 -0.279 0.000 1.038 524 I CB 2.133 40.000 38.000 -0.222 0.000 1.244 524 I HN 0.537 nan 8.210 nan 0.000 0.420 525 S N 2.496 118.064 115.700 -0.221 0.000 2.588 525 S HA 0.744 5.214 4.470 0.000 0.000 0.269 525 S C -0.016 174.534 174.600 -0.083 0.000 1.157 525 S CA -0.133 57.972 58.200 -0.157 0.000 0.824 525 S CB 1.764 64.883 63.200 -0.134 0.000 1.126 525 S HN 1.536 nan 8.310 nan 0.000 0.464 526 G N 0.656 109.425 108.800 -0.052 0.000 2.298 526 G HA2 -0.161 3.799 3.960 0.000 0.000 0.287 526 G HA3 -0.161 3.799 3.960 0.000 0.000 0.287 526 G C -0.356 174.525 174.900 -0.031 0.000 1.075 526 G CA 0.267 45.351 45.100 -0.027 0.000 0.960 526 G HN 0.958 nan 8.290 nan 0.000 0.502 527 L N 0.141 121.341 121.223 -0.039 0.000 2.312 527 L HA 0.757 5.097 4.340 0.000 0.000 0.281 527 L C 0.581 177.440 176.870 -0.019 0.000 1.070 527 L CA -0.480 54.337 54.840 -0.037 0.000 0.805 527 L CB 1.956 43.985 42.059 -0.050 0.000 1.174 527 L HN 0.269 nan 8.230 nan 0.000 0.434 528 S N 1.612 117.305 115.700 -0.013 0.000 2.575 528 S HA 0.755 5.225 4.470 0.000 0.000 0.278 528 S C -0.858 173.753 174.600 0.018 0.000 1.139 528 S CA -0.464 57.740 58.200 0.007 0.000 0.954 528 S CB 1.562 64.769 63.200 0.013 0.000 1.054 528 S HN 0.759 nan 8.310 nan 0.000 0.483 529 S N 4.098 119.822 115.700 0.040 0.000 2.570 529 S HA 0.782 5.252 4.470 0.000 0.000 0.270 529 S C -1.315 173.345 174.600 0.100 0.000 1.149 529 S CA -0.799 57.456 58.200 0.091 0.000 0.837 529 S CB 1.348 64.614 63.200 0.109 0.000 1.124 529 S HN 0.870 nan 8.310 nan 0.000 0.465 530 I N 0.776 121.422 120.570 0.125 0.000 2.647 530 I HA 0.633 4.803 4.170 0.000 0.000 0.295 530 I C 0.812 176.969 176.117 0.068 0.000 1.078 530 I CA 0.450 61.798 61.300 0.080 0.000 1.048 530 I CB 1.602 39.628 38.000 0.043 0.000 1.239 530 I HN 1.409 nan 8.210 nan 0.000 0.421 531 G N 4.307 113.120 108.800 0.021 0.000 2.179 531 G HA2 -0.309 3.651 3.960 0.000 0.000 0.260 531 G HA3 -0.309 3.651 3.960 0.000 0.000 0.260 531 G C -0.413 174.394 174.900 -0.154 0.000 0.977 531 G CA 0.061 45.118 45.100 -0.072 0.000 0.641 531 G HN 0.553 nan 8.290 nan 0.000 0.533 532 Y N 0.311 120.594 120.300 -0.029 0.000 2.326 532 Y HA 0.455 5.005 4.550 0.000 0.000 0.337 532 Y C -0.735 175.140 175.900 -0.041 0.000 1.023 532 Y CA -1.656 56.417 58.100 -0.045 0.000 1.143 532 Y CB 1.678 40.114 38.460 -0.041 0.000 1.183 532 Y HN -0.038 nan 8.280 nan 0.000 0.485 533 P HA -0.062 nan 4.420 nan 0.000 0.218 533 P C -0.223 177.103 177.300 0.043 0.000 1.149 533 P CA 1.287 64.408 63.100 0.034 0.000 0.817 533 P CB 0.371 32.071 31.700 -0.001 0.000 0.785 534 T N -1.213 113.377 114.554 0.061 0.000 2.841 534 T HA 0.291 4.641 4.350 0.000 0.000 0.283 534 T C 1.106 175.828 174.700 0.037 0.000 1.000 534 T CA -0.589 61.535 62.100 0.039 0.000 0.977 534 T CB 2.407 71.289 68.868 0.023 0.000 0.979 534 T HN -0.379 nan 8.240 nan 0.000 0.446 535 V N 1.433 121.363 119.914 0.027 0.000 2.278 535 V HA 0.317 4.437 4.120 0.000 0.000 0.238 535 V C 1.140 177.221 176.094 -0.022 0.000 1.039 535 V CA 1.050 63.345 62.300 -0.008 0.000 1.017 535 V CB -0.398 31.434 31.823 0.016 0.000 0.657 535 V HN 0.969 nan 8.190 nan 0.000 0.462 536 A N 0.417 123.264 122.820 0.044 0.000 2.343 536 A HA 0.729 5.049 4.320 0.000 0.000 0.316 536 A C -0.225 177.433 177.584 0.123 0.000 1.104 536 A CA -0.542 51.534 52.037 0.065 0.000 0.768 536 A CB 0.941 19.976 19.000 0.059 0.000 1.213 536 A HN 0.359 nan 8.150 nan 0.000 0.456 537 R N 2.646 123.206 120.500 0.099 0.000 2.275 537 R HA 0.561 4.902 4.340 0.000 0.000 0.326 537 R C -1.802 174.561 176.300 0.105 0.000 0.973 537 R CA -0.216 55.949 56.100 0.109 0.000 0.854 537 R CB 1.019 31.380 30.300 0.101 0.000 1.156 537 R HN 0.445 nan 8.270 nan 0.000 0.487 538 V N 4.335 124.335 119.914 0.142 0.000 2.334 538 V HA 0.365 4.485 4.120 0.000 0.000 0.281 538 V C 0.559 176.705 176.094 0.087 0.000 1.016 538 V CA -0.121 62.240 62.300 0.102 0.000 0.832 538 V CB 1.113 32.997 31.823 0.102 0.000 0.999 538 V HN 1.041 nan 8.190 nan 0.000 0.439 539 A N 4.308 127.159 122.820 0.051 0.000 2.665 539 A HA -0.017 4.303 4.320 0.000 0.000 0.301 539 A C 1.789 179.397 177.584 0.041 0.000 1.509 539 A CA 1.458 53.519 52.037 0.039 0.000 0.789 539 A CB -1.496 17.524 19.000 0.034 0.000 1.024 539 A HN 2.545 nan 8.150 nan 0.000 0.460 540 G N -3.086 105.740 108.800 0.043 0.000 2.195 540 G HA2 -0.067 3.893 3.960 0.000 0.000 0.246 540 G HA3 -0.067 3.893 3.960 0.000 0.000 0.246 540 G C 0.345 175.256 174.900 0.019 0.000 0.984 540 G CA 0.767 45.886 45.100 0.032 0.000 0.633 540 G HN 1.842 nan 8.290 nan 0.000 0.525 541 T N 2.029 116.602 114.554 0.032 0.000 2.767 541 T HA 0.544 4.894 4.350 0.000 0.000 0.284 541 T C -0.750 173.906 174.700 -0.073 0.000 0.973 541 T CA -0.415 61.664 62.100 -0.035 0.000 0.996 541 T CB 1.744 70.603 68.868 -0.015 0.000 0.927 541 T HN 0.169 nan 8.240 nan 0.000 0.456 542 D N 1.927 122.209 120.400 -0.197 0.000 2.210 542 D HA 0.323 4.963 4.640 0.000 0.000 0.249 542 D C -0.829 175.209 176.300 -0.437 0.000 1.078 542 D CA 0.022 53.921 54.000 -0.169 0.000 0.875 542 D CB 0.791 41.531 40.800 -0.101 0.000 1.175 542 D HN 0.474 nan 8.370 nan 0.000 0.440 543 Y N 1.530 121.823 120.300 -0.012 0.000 2.332 543 Y HA 0.266 4.816 4.550 0.000 0.000 0.326 543 Y C 0.741 176.631 175.900 -0.016 0.000 0.978 543 Y CA -0.650 57.440 58.100 -0.017 0.000 1.205 543 Y CB 1.204 39.648 38.460 -0.027 0.000 1.131 543 Y HN 0.193 nan 8.280 nan 0.000 0.462 544 N N 1.036 119.784 118.700 0.079 0.000 2.184 544 N HA 0.040 4.780 4.740 0.000 0.000 0.206 544 N C -0.320 175.221 175.510 0.051 0.000 1.151 544 N CA 0.341 53.422 53.050 0.051 0.000 0.878 544 N CB 0.733 39.230 38.487 0.017 0.000 1.014 544 N HN 0.658 nan 8.380 nan 0.000 0.512 545 D N 0.204 120.645 120.400 0.069 0.000 2.571 545 D HA 0.290 4.930 4.640 0.000 0.000 0.239 545 D C 0.400 176.730 176.300 0.049 0.000 1.267 545 D CA 0.069 54.099 54.000 0.050 0.000 0.823 545 D CB 1.377 42.202 40.800 0.043 0.000 1.056 545 D HN 0.169 nan 8.370 nan 0.000 0.494 546 G N 1.161 109.992 108.800 0.051 0.000 2.770 546 G HA2 0.091 4.051 3.960 0.000 0.000 0.686 546 G HA3 0.091 4.051 3.960 0.000 0.000 0.686 546 G C -1.672 173.229 174.900 0.001 0.000 1.180 546 G CA -0.993 44.119 45.100 0.019 0.000 0.767 546 G HN 0.122 nan 8.290 nan 0.000 0.646 547 L N 0.856 122.042 121.223 -0.061 0.000 2.482 547 L HA 0.895 5.235 4.340 0.000 0.000 0.263 547 L C -0.215 176.553 176.870 -0.170 0.000 0.957 547 L CA -0.266 54.478 54.840 -0.160 0.000 0.836 547 L CB 2.584 44.491 42.059 -0.254 0.000 1.324 547 L HN 0.893 nan 8.230 nan 0.000 0.406 548 T N 5.897 120.338 114.554 -0.189 0.000 2.906 548 T HA 0.649 4.999 4.350 0.000 0.000 0.302 548 T C -0.903 173.633 174.700 -0.272 0.000 1.002 548 T CA -0.258 61.718 62.100 -0.207 0.000 0.988 548 T CB 0.737 69.571 68.868 -0.058 0.000 0.972 548 T HN 0.431 nan 8.240 nan 0.000 0.447 549 L N 3.915 124.884 121.223 -0.424 0.000 2.349 549 L HA 0.685 5.025 4.340 0.000 0.000 0.278 549 L C -1.075 175.481 176.870 -0.523 0.000 0.996 549 L CA -0.835 53.788 54.840 -0.362 0.000 0.825 549 L CB 1.388 43.267 42.059 -0.300 0.000 1.243 549 L HN 0.535 nan 8.230 nan 0.000 0.412 550 F N 1.032 120.919 119.950 -0.104 0.000 2.561 550 F HA 0.502 5.029 4.527 0.000 0.000 0.321 550 F C 0.292 176.077 175.800 -0.026 0.000 1.065 550 F CA -0.737 57.237 58.000 -0.043 0.000 0.934 550 F CB 2.064 41.065 39.000 0.002 0.000 1.215 550 F HN 0.417 nan 8.300 nan 0.000 0.471 551 N N 0.358 119.198 118.700 0.232 0.000 2.459 551 N HA 0.699 5.439 4.740 0.000 0.000 0.288 551 N C 0.038 175.641 175.510 0.155 0.000 1.186 551 N CA 0.191 53.324 53.050 0.138 0.000 0.917 551 N CB 1.658 40.195 38.487 0.083 0.000 1.219 551 N HN 0.906 nan 8.380 nan 0.000 0.525 552 G N -0.308 108.558 108.800 0.111 0.000 2.782 552 G HA2 0.092 4.052 3.960 0.000 0.000 0.228 552 G HA3 0.092 4.052 3.960 0.000 0.000 0.228 552 G C -0.301 174.680 174.900 0.135 0.000 1.372 552 G CA -0.388 44.768 45.100 0.093 0.000 0.862 552 G HN 0.838 nan 8.290 nan 0.000 0.547 553 A N -0.459 122.417 122.820 0.095 0.000 2.587 553 A HA 0.449 4.769 4.320 0.000 0.000 0.235 553 A C -0.096 177.605 177.584 0.196 0.000 1.044 553 A CA 1.386 53.497 52.037 0.124 0.000 0.754 553 A CB 0.022 19.052 19.000 0.049 0.000 0.968 553 A HN 2.038 nan 8.150 nan 0.000 0.509 554 F N 2.559 122.560 119.950 0.084 0.000 2.507 554 F HA 0.689 5.216 4.527 0.000 0.000 0.325 554 F C 0.099 175.944 175.800 0.075 0.000 1.116 554 F CA -0.742 57.297 58.000 0.065 0.000 0.930 554 F CB 1.552 40.604 39.000 0.086 0.000 1.146 554 F HN 0.675 nan 8.300 nan 0.000 0.447 555 R N 4.379 124.368 120.500 -0.852 0.000 2.564 555 R HA 0.843 5.183 4.340 0.000 0.000 0.284 555 R C -2.004 173.788 176.300 -0.846 0.000 1.031 555 R CA -0.701 55.027 56.100 -0.621 0.000 0.904 555 R CB 1.751 31.886 30.300 -0.276 0.000 1.199 555 R HN 0.861 nan 8.270 nan 0.000 0.443 556 A N 1.415 123.910 122.820 -0.542 0.000 2.556 556 A HA 0.486 4.806 4.320 0.000 0.000 0.294 556 A C -0.164 177.335 177.584 -0.140 0.000 1.091 556 A CA -0.070 51.765 52.037 -0.337 0.000 0.704 556 A CB 1.559 20.425 19.000 -0.224 0.000 1.300 556 A HN 1.366 nan 8.150 nan 0.000 0.406 557 S N -0.889 114.754 115.700 -0.096 0.000 3.486 557 S HA -0.153 4.317 4.470 0.000 0.000 0.371 557 S C 0.072 174.646 174.600 -0.044 0.000 1.001 557 S CA 1.346 59.516 58.200 -0.050 0.000 1.164 557 S CB -2.465 60.724 63.200 -0.019 0.000 0.911 557 S HN 1.828 nan 8.310 nan 0.000 0.472 558 T N 0.843 115.358 114.554 -0.064 0.000 3.143 558 T HA 0.538 4.888 4.350 0.000 0.000 0.312 558 T C 1.212 175.878 174.700 -0.058 0.000 0.986 558 T CA -0.289 61.781 62.100 -0.051 0.000 1.024 558 T CB 1.760 70.598 68.868 -0.050 0.000 1.030 558 T HN 0.553 nan 8.240 nan 0.000 0.448 559 T N -0.420 114.109 114.554 -0.042 0.000 2.985 559 T HA 0.154 4.504 4.350 0.000 0.000 0.266 559 T C 0.966 175.641 174.700 -0.041 0.000 1.076 559 T CA 0.631 62.706 62.100 -0.041 0.000 1.135 559 T CB 0.005 68.854 68.868 -0.031 0.000 0.890 559 T HN 0.698 nan 8.240 nan 0.000 0.480 560 S N 0.141 115.820 115.700 -0.036 0.000 2.570 560 S HA 0.707 5.177 4.470 0.000 0.000 0.270 560 S C -0.887 173.693 174.600 -0.032 0.000 1.149 560 S CA -0.302 57.877 58.200 -0.034 0.000 0.837 560 S CB 2.143 65.327 63.200 -0.027 0.000 1.124 560 S HN 1.023 nan 8.310 nan 0.000 0.465 561 S N 0.387 116.068 115.700 -0.032 0.000 2.611 561 S HA 0.842 5.312 4.470 0.000 0.000 0.268 561 S C 0.292 174.877 174.600 -0.026 0.000 1.156 561 S CA -0.494 57.689 58.200 -0.029 0.000 0.817 561 S CB 0.653 63.834 63.200 -0.032 0.000 1.122 561 S HN 1.620 nan 8.310 nan 0.000 0.466 562 G N 0.540 109.326 108.800 -0.024 0.000 2.546 562 G HA2 0.481 4.441 3.960 0.000 0.000 0.239 562 G HA3 0.481 4.441 3.960 0.000 0.000 0.239 562 G C -0.311 174.576 174.900 -0.021 0.000 1.476 562 G CA -0.598 44.489 45.100 -0.022 0.000 1.064 562 G HN 0.861 nan 8.290 nan 0.000 0.561 563 K N -0.414 119.976 120.400 -0.017 0.000 2.401 563 K HA 0.271 4.591 4.320 0.000 0.000 0.278 563 K C -0.466 176.129 176.600 -0.007 0.000 1.018 563 K CA 0.323 56.603 56.287 -0.012 0.000 0.981 563 K CB 0.027 32.523 32.500 -0.006 0.000 0.933 563 K HN 0.227 nan 8.250 nan 0.000 0.477 564 I N 4.379 124.949 120.570 0.000 0.000 2.418 564 I HA 0.169 4.339 4.170 0.000 0.000 0.287 564 I C 0.143 176.288 176.117 0.047 0.000 1.008 564 I CA -1.055 60.257 61.300 0.020 0.000 1.104 564 I CB 1.447 39.459 38.000 0.018 0.000 1.264 564 I HN 0.648 nan 8.210 nan 0.000 0.438 565 H N 4.580 123.634 119.070 -0.027 0.000 2.771 565 H HA 0.024 4.580 4.556 0.000 0.000 0.364 565 H C 1.168 176.504 175.328 0.014 0.000 1.133 565 H CA 0.773 56.812 56.048 -0.016 0.000 1.423 565 H CB 1.499 31.240 29.762 -0.036 0.000 1.425 565 H HN 0.791 nan 8.280 nan 0.000 0.606 566 S N 2.311 117.840 115.700 -0.286 0.000 2.469 566 S HA -0.125 4.345 4.470 0.000 0.000 0.238 566 S C 0.697 175.372 174.600 0.125 0.000 0.998 566 S CA 1.169 59.324 58.200 -0.074 0.000 0.957 566 S CB -0.022 63.083 63.200 -0.158 0.000 0.764 566 S HN 0.717 nan 8.310 nan 0.000 0.514 567 E N 0.994 121.413 120.200 0.364 0.000 2.723 567 E HA 0.465 4.815 4.350 0.000 0.000 0.219 567 E C 0.332 177.050 176.600 0.197 0.000 1.060 567 E CA -0.377 56.185 56.400 0.269 0.000 1.291 567 E CB 0.711 30.545 29.700 0.224 0.000 1.265 567 E HN 0.586 nan 8.360 nan 0.000 0.438 568 G N 0.840 109.759 108.800 0.197 0.000 2.725 568 G HA2 0.692 4.652 3.960 0.000 0.000 0.288 568 G HA3 0.692 4.652 3.960 0.000 0.000 0.288 568 G C -1.249 173.759 174.900 0.180 0.000 1.399 568 G CA -0.776 44.356 45.100 0.053 0.000 0.859 568 G HN 0.163 nan 8.290 nan 0.000 0.479 569 F N -1.843 118.171 119.950 0.106 0.000 2.693 569 F HA 0.801 5.328 4.527 0.000 0.000 0.309 569 F C -1.490 174.353 175.800 0.072 0.000 1.129 569 F CA -1.505 56.579 58.000 0.140 0.000 0.948 569 F CB 1.464 40.610 39.000 0.244 0.000 1.315 569 F HN 0.428 nan 8.300 nan 0.000 0.447 570 I N 3.210 123.947 120.570 0.280 0.000 2.533 570 I HA 0.564 4.734 4.170 0.000 0.000 0.290 570 I C -1.012 175.214 176.117 0.181 0.000 1.056 570 I CA -0.706 60.704 61.300 0.184 0.000 1.057 570 I CB 2.184 40.207 38.000 0.038 0.000 1.240 570 I HN 0.645 nan 8.210 nan 0.000 0.423 571 M N 3.294 123.016 119.600 0.203 0.000 2.501 571 M HA 0.455 4.935 4.480 0.000 0.000 0.293 571 M C 0.552 176.895 176.300 0.072 0.000 1.192 571 M CA -0.602 54.764 55.300 0.109 0.000 0.886 571 M CB 2.243 34.925 32.600 0.137 0.000 1.710 571 M HN 0.795 nan 8.290 nan 0.000 0.457 572 G N 1.789 110.608 108.800 0.032 0.000 2.356 572 G HA2 -0.194 3.766 3.960 0.000 0.000 0.296 572 G HA3 -0.194 3.766 3.960 0.000 0.000 0.296 572 G C -0.383 174.531 174.900 0.024 0.000 1.022 572 G CA 0.548 45.662 45.100 0.024 0.000 0.961 572 G HN 0.627 nan 8.290 nan 0.000 0.510 573 S N -1.207 114.502 115.700 0.015 0.000 2.638 573 S HA 0.872 5.342 4.470 0.000 0.000 0.302 573 S C 0.538 175.138 174.600 -0.000 0.000 1.096 573 S CA -0.038 58.169 58.200 0.012 0.000 0.953 573 S CB 2.059 65.270 63.200 0.017 0.000 1.107 573 S HN 1.045 nan 8.310 nan 0.000 0.503 574 T N -0.886 113.668 114.554 -0.000 0.000 2.893 574 T HA 0.620 4.970 4.350 0.000 0.000 0.279 574 T C 0.514 175.209 174.700 -0.008 0.000 0.991 574 T CA -0.664 61.432 62.100 -0.005 0.000 0.950 574 T CB 0.522 69.388 68.868 -0.003 0.000 1.223 574 T HN 0.673 nan 8.240 nan 0.000 0.585 575 S N -0.896 114.797 115.700 -0.011 0.000 2.569 575 S HA 0.437 4.907 4.470 0.000 0.000 0.274 575 S C 1.461 176.054 174.600 -0.012 0.000 1.353 575 S CA 0.013 58.206 58.200 -0.013 0.000 1.023 575 S CB -0.369 62.823 63.200 -0.013 0.000 0.876 575 S HN 2.412 nan 8.310 nan 0.000 0.540 576 G N -0.192 108.599 108.800 -0.015 0.000 2.175 576 G HA2 -0.217 3.743 3.960 0.000 0.000 0.244 576 G HA3 -0.217 3.743 3.960 0.000 0.000 0.244 576 G C 0.197 175.087 174.900 -0.017 0.000 0.982 576 G CA -0.118 44.973 45.100 -0.014 0.000 0.641 576 G HN 1.005 nan 8.290 nan 0.000 0.527 577 C N 1.355 120.645 119.300 -0.018 0.000 2.398 577 C HA 0.758 5.218 4.460 0.000 0.000 0.364 577 C C 0.359 175.332 174.990 -0.027 0.000 1.219 577 C CA -0.366 58.639 59.018 -0.021 0.000 2.312 577 C CB 0.849 28.579 27.740 -0.016 0.000 2.428 577 C HN 0.616 nan 8.230 nan 0.000 0.564 578 E N 0.603 120.782 120.200 -0.036 0.000 2.383 578 E HA 0.668 5.018 4.350 0.000 0.000 0.275 578 E C -1.409 175.153 176.600 -0.063 0.000 0.918 578 E CA -0.805 55.570 56.400 -0.041 0.000 0.764 578 E CB 1.809 31.489 29.700 -0.033 0.000 1.252 578 E HN 0.624 nan 8.360 nan 0.000 0.449 579 A N 1.114 123.894 122.820 -0.067 0.000 2.984 579 A HA 0.337 4.657 4.320 0.000 0.000 0.320 579 A C 0.230 177.780 177.584 -0.058 0.000 1.142 579 A CA -0.564 51.409 52.037 -0.107 0.000 0.772 579 A CB 0.169 19.061 19.000 -0.180 0.000 1.195 579 A HN 0.586 nan 8.150 nan 0.000 0.459 580 S N 0.133 115.803 115.700 -0.050 0.000 2.575 580 S HA 0.320 4.790 4.470 0.000 0.000 0.215 580 S C 0.655 175.262 174.600 0.013 0.000 0.966 580 S CA 0.580 58.782 58.200 0.002 0.000 0.911 580 S CB -0.796 62.398 63.200 -0.011 0.000 0.780 580 S HN 1.634 nan 8.310 nan 0.000 0.514 581 V N -2.199 117.639 119.914 -0.127 0.000 3.126 581 V HA 0.732 4.852 4.120 0.000 0.000 0.314 581 V C 0.109 175.768 176.094 -0.725 0.000 1.138 581 V CA -1.058 61.021 62.300 -0.367 0.000 1.034 581 V CB 1.070 32.740 31.823 -0.256 0.000 1.075 581 V HN 0.121 nan 8.190 nan 0.000 0.442 582 S N 1.153 116.221 115.700 -1.052 0.000 2.552 582 S HA 0.207 4.677 4.470 0.000 0.000 0.289 582 S C 0.493 174.892 174.600 -0.335 0.000 1.304 582 S CA 0.725 58.504 58.200 -0.703 0.000 1.063 582 S CB -0.755 62.209 63.200 -0.393 0.000 0.848 582 S HN 1.020 nan 8.310 nan 0.000 0.499 583 K N 1.210 121.496 120.400 -0.191 0.000 3.150 583 K HA -0.144 4.176 4.320 0.000 0.000 0.267 583 K C -0.497 175.978 176.600 -0.207 0.000 1.028 583 K CA 0.865 57.065 56.287 -0.146 0.000 0.753 583 K CB -2.446 29.967 32.500 -0.145 0.000 1.288 583 K HN 0.740 nan 8.250 nan 0.000 0.473 584 S N -0.797 114.752 115.700 -0.251 0.000 2.548 584 S HA 0.871 5.341 4.470 0.000 0.000 0.286 584 S C 0.005 174.299 174.600 -0.510 0.000 1.098 584 S CA -0.186 57.833 58.200 -0.301 0.000 0.930 584 S CB 2.804 65.858 63.200 -0.243 0.000 1.070 584 S HN 0.506 nan 8.310 nan 0.000 0.480 585 G N 0.396 108.847 108.800 -0.582 0.000 2.720 585 G HA2 0.591 4.551 3.960 0.000 0.000 0.295 585 G HA3 0.591 4.551 3.960 0.000 0.000 0.295 585 G C -1.922 172.718 174.900 -0.434 0.000 1.437 585 G CA -0.667 43.825 45.100 -1.014 0.000 0.886 585 G HN 0.999 nan 8.290 nan 0.000 0.509 586 V N 1.364 121.128 119.914 -0.249 0.000 2.588 586 V HA 0.638 4.758 4.120 0.000 0.000 0.304 586 V C -0.248 175.928 176.094 0.136 0.000 1.042 586 V CA -0.594 61.691 62.300 -0.024 0.000 0.877 586 V CB 1.443 33.246 31.823 -0.033 0.000 0.996 586 V HN 0.648 nan 8.190 nan 0.000 0.425 587 L N 3.344 124.654 121.223 0.145 0.000 2.354 587 L HA 0.573 4.913 4.340 0.000 0.000 0.269 587 L C 0.702 177.622 176.870 0.083 0.000 1.005 587 L CA -0.615 54.315 54.840 0.149 0.000 0.819 587 L CB 2.204 44.363 42.059 0.166 0.000 1.311 587 L HN 0.934 nan 8.230 nan 0.000 0.423 588 T N -1.600 112.994 114.554 0.067 0.000 3.795 588 T HA -0.184 4.166 4.350 0.000 0.000 0.370 588 T C 0.070 174.791 174.700 0.035 0.000 0.761 588 T CA 0.865 62.991 62.100 0.045 0.000 1.923 588 T CB -1.897 66.996 68.868 0.043 0.000 1.795 588 T HN 0.615 nan 8.240 nan 0.000 0.762 589 S N 0.107 115.825 115.700 0.030 0.000 2.704 589 S HA 0.897 5.367 4.470 0.000 0.000 0.296 589 S C -0.245 174.363 174.600 0.013 0.000 1.138 589 S CA -0.393 57.820 58.200 0.021 0.000 0.875 589 S CB 2.295 65.506 63.200 0.018 0.000 1.151 589 S HN 1.236 nan 8.310 nan 0.000 0.500 590 S N -0.231 115.474 115.700 0.009 0.000 2.536 590 S HA 0.666 5.136 4.470 0.000 0.000 0.287 590 S C -0.307 174.293 174.600 -0.000 0.000 1.101 590 S CA -0.651 57.551 58.200 0.003 0.000 0.950 590 S CB 1.285 64.487 63.200 0.005 0.000 1.056 590 S HN 0.903 nan 8.310 nan 0.000 0.481 591 S N 0.949 116.646 115.700 -0.005 0.000 3.491 591 S HA -0.129 4.341 4.470 0.000 0.000 0.371 591 S C 0.052 174.646 174.600 -0.010 0.000 0.980 591 S CA 0.924 59.120 58.200 -0.008 0.000 1.204 591 S CB -1.896 61.300 63.200 -0.006 0.000 0.915 591 S HN 0.879 nan 8.310 nan 0.000 0.482 592 S N 0.847 116.539 115.700 -0.013 0.000 2.521 592 S HA 0.608 5.079 4.470 0.000 0.000 0.295 592 S C -0.199 174.385 174.600 -0.028 0.000 1.098 592 S CA -1.004 57.186 58.200 -0.017 0.000 0.999 592 S CB 1.793 64.986 63.200 -0.011 0.000 1.034 592 S HN 0.384 nan 8.310 nan 0.000 0.483 593 K N 1.219 121.598 120.400 -0.034 0.000 2.427 593 K HA 0.632 4.952 4.320 0.000 0.000 0.252 593 K C -0.945 175.621 176.600 -0.057 0.000 0.931 593 K CA -0.699 55.561 56.287 -0.044 0.000 0.793 593 K CB 2.154 34.631 32.500 -0.038 0.000 1.211 593 K HN 0.484 nan 8.250 nan 0.000 0.426 594 T N 0.116 114.625 114.554 -0.075 0.000 2.841 594 T HA 0.250 4.600 4.350 0.000 0.000 0.285 594 T C -0.149 174.493 174.700 -0.097 0.000 0.991 594 T CA -0.579 61.466 62.100 -0.091 0.000 0.966 594 T CB 0.737 69.535 68.868 -0.117 0.000 0.962 594 T HN 0.558 nan 8.240 nan 0.000 0.438 595 S N 2.688 118.333 115.700 -0.092 0.000 2.624 595 S HA 0.332 4.802 4.470 0.000 0.000 0.246 595 S C 0.337 174.867 174.600 -0.117 0.000 1.072 595 S CA -0.629 57.514 58.200 -0.095 0.000 1.045 595 S CB 0.194 63.353 63.200 -0.069 0.000 0.851 595 S HN 0.550 nan 8.310 nan 0.000 0.480 596 S N 1.815 117.432 115.700 -0.138 0.000 2.438 596 S HA 0.317 4.787 4.470 0.000 0.000 0.316 596 S C -0.364 174.107 174.600 -0.214 0.000 1.084 596 S CA -0.460 57.644 58.200 -0.161 0.000 1.107 596 S CB 0.849 63.962 63.200 -0.146 0.000 0.981 596 S HN 0.586 nan 8.310 nan 0.000 0.466 597 E N 3.662 123.719 120.200 -0.238 0.000 2.351 597 E HA 0.133 4.483 4.350 0.000 0.000 0.266 597 E C -0.483 175.872 176.600 -0.410 0.000 1.031 597 E CA 0.049 56.273 56.400 -0.293 0.000 0.911 597 E CB 0.138 29.680 29.700 -0.263 0.000 0.986 597 E HN 0.705 nan 8.360 nan 0.000 0.446 598 R N 2.076 122.354 120.500 -0.370 0.000 2.650 598 R HA -0.136 4.204 4.340 0.000 0.000 0.315 598 R C -1.203 174.911 176.300 -0.309 0.000 0.986 598 R CA 0.716 56.583 56.100 -0.388 0.000 0.744 598 R CB -2.201 27.696 30.300 -0.672 0.000 2.072 598 R HN 0.643 nan 8.270 nan 0.000 0.477 599 S N 0.571 116.146 115.700 -0.207 0.000 2.570 599 S HA 0.856 5.326 4.470 0.000 0.000 0.270 599 S C -1.163 173.370 174.600 -0.112 0.000 1.149 599 S CA -1.190 56.919 58.200 -0.152 0.000 0.837 599 S CB 2.836 65.939 63.200 -0.162 0.000 1.124 599 S HN 0.356 nan 8.310 nan 0.000 0.465 600 L N 1.165 122.349 121.223 -0.064 0.000 2.505 600 L HA 0.695 5.035 4.340 0.000 0.000 0.266 600 L C -1.904 174.957 176.870 -0.016 0.000 0.954 600 L CA -0.550 54.273 54.840 -0.028 0.000 0.852 600 L CB 1.594 43.680 42.059 0.044 0.000 1.282 600 L HN 0.902 nan 8.230 nan 0.000 0.403 601 I N 4.562 125.121 120.570 -0.019 0.000 2.378 601 I HA 0.828 4.998 4.170 0.000 0.000 0.291 601 I C -0.162 175.974 176.117 0.032 0.000 0.992 601 I CA -0.517 60.783 61.300 -0.000 0.000 1.154 601 I CB 1.773 39.761 38.000 -0.018 0.000 1.315 601 I HN 0.790 nan 8.210 nan 0.000 0.448 602 A N 3.713 126.557 122.820 0.040 0.000 2.498 602 A HA 0.728 5.048 4.320 0.000 0.000 0.298 602 A C 0.412 178.021 177.584 0.042 0.000 1.075 602 A CA -0.136 51.933 52.037 0.053 0.000 0.714 602 A CB 1.513 20.553 19.000 0.066 0.000 1.299 602 A HN 1.099 nan 8.150 nan 0.000 0.407 603 G N 0.548 109.373 108.800 0.042 0.000 2.305 603 G HA2 -0.061 3.899 3.960 0.000 0.000 0.287 603 G HA3 -0.061 3.899 3.960 0.000 0.000 0.287 603 G C 0.259 175.178 174.900 0.032 0.000 1.036 603 G CA 0.846 45.968 45.100 0.036 0.000 0.887 603 G HN 1.245 nan 8.290 nan 0.000 0.505 604 S N -1.206 114.511 115.700 0.027 0.000 2.671 604 S HA 0.909 5.379 4.470 0.000 0.000 0.299 604 S C 0.032 174.643 174.600 0.018 0.000 1.116 604 S CA 0.033 58.247 58.200 0.023 0.000 0.912 604 S CB 2.220 65.431 63.200 0.019 0.000 1.130 604 S HN 1.418 nan 8.310 nan 0.000 0.501 605 S N -0.470 115.241 115.700 0.017 0.000 2.570 605 S HA 0.624 5.094 4.470 0.000 0.000 0.286 605 S C -0.072 174.533 174.600 0.008 0.000 1.099 605 S CA -0.112 58.096 58.200 0.012 0.000 0.913 605 S CB 0.974 64.183 63.200 0.015 0.000 1.085 605 S HN 1.585 nan 8.310 nan 0.000 0.480 606 T N -0.740 113.815 114.554 0.003 0.000 3.760 606 T HA -0.166 4.184 4.350 0.000 0.000 0.366 606 T C 0.113 174.809 174.700 -0.006 0.000 0.761 606 T CA 1.051 63.150 62.100 -0.002 0.000 1.887 606 T CB -2.672 66.196 68.868 0.001 0.000 1.811 606 T HN 0.819 nan 8.240 nan 0.000 0.749 607 S N 0.447 116.143 115.700 -0.008 0.000 2.621 607 S HA 0.731 5.201 4.470 0.000 0.000 0.302 607 S C -0.316 174.272 174.600 -0.021 0.000 1.093 607 S CA -0.932 57.260 58.200 -0.012 0.000 1.017 607 S CB 2.223 65.420 63.200 -0.006 0.000 1.077 607 S HN 0.682 nan 8.310 nan 0.000 0.517 608 E N 0.350 120.534 120.200 -0.027 0.000 2.304 608 E HA 0.603 4.953 4.350 0.000 0.000 0.277 608 E C -1.661 174.915 176.600 -0.040 0.000 0.898 608 E CA -0.675 55.704 56.400 -0.035 0.000 0.764 608 E CB 1.438 31.117 29.700 -0.033 0.000 1.216 608 E HN 0.691 nan 8.360 nan 0.000 0.419 609 A N 4.174 126.964 122.820 -0.051 0.000 2.303 609 A HA 0.487 4.807 4.320 0.000 0.000 0.320 609 A C -0.185 177.358 177.584 -0.068 0.000 1.192 609 A CA -0.614 51.387 52.037 -0.059 0.000 0.821 609 A CB 0.516 19.474 19.000 -0.070 0.000 1.188 609 A HN 0.668 nan 8.150 nan 0.000 0.492 610 K N 2.419 122.781 120.400 -0.064 0.000 2.586 610 K HA 0.287 4.608 4.320 0.000 0.000 0.198 610 K C 0.605 177.166 176.600 -0.065 0.000 1.170 610 K CA 0.226 56.475 56.287 -0.064 0.000 1.069 610 K CB 0.737 33.207 32.500 -0.050 0.000 0.944 610 K HN 0.622 nan 8.250 nan 0.000 0.572 611 G N 1.435 110.191 108.800 -0.072 0.000 3.365 611 G HA2 0.409 4.369 3.960 0.000 0.000 0.185 611 G HA3 0.409 4.369 3.960 0.000 0.000 0.185 611 G C -0.387 174.449 174.900 -0.108 0.000 1.565 611 G CA 0.270 45.327 45.100 -0.070 0.000 0.984 611 G HN 0.255 nan 8.290 nan 0.000 0.604 612 T N -4.979 109.496 114.554 -0.131 0.000 2.868 612 T HA 0.426 4.776 4.350 0.000 0.000 0.306 612 T C -0.573 173.973 174.700 -0.256 0.000 1.224 612 T CA -0.622 61.343 62.100 -0.225 0.000 1.012 612 T CB 1.379 70.137 68.868 -0.183 0.000 1.221 612 T HN 0.887 nan 8.240 nan 0.000 0.499 613 Y N -0.432 119.616 120.300 -0.420 0.000 3.305 613 Y HA -0.196 4.354 4.550 0.000 0.000 0.212 613 Y C 0.260 175.973 175.900 -0.312 0.000 1.248 613 Y CA 0.083 57.889 58.100 -0.491 0.000 1.359 613 Y CB -2.016 35.756 38.460 -1.147 0.000 1.407 613 Y HN 0.658 nan 8.280 nan 0.000 0.572 614 N N 0.666 119.295 118.700 -0.118 0.000 2.443 614 N HA 0.504 5.244 4.740 0.000 0.000 0.295 614 N C -0.150 175.337 175.510 -0.037 0.000 1.076 614 N CA -0.317 52.694 53.050 -0.066 0.000 0.919 614 N CB 1.756 40.196 38.487 -0.077 0.000 1.176 614 N HN 0.072 nan 8.380 nan 0.000 0.487 615 T N 1.865 116.416 114.554 -0.005 0.000 2.841 615 T HA 0.563 4.913 4.350 0.000 0.000 0.285 615 T C 0.080 174.788 174.700 0.012 0.000 0.991 615 T CA -0.431 61.675 62.100 0.011 0.000 0.966 615 T CB 0.881 69.772 68.868 0.038 0.000 0.962 615 T HN 0.262 nan 8.240 nan 0.000 0.438 616 I N 4.151 124.727 120.570 0.010 0.000 2.478 616 I HA 0.481 4.651 4.170 0.000 0.000 0.287 616 I C -1.019 175.113 176.117 0.025 0.000 1.042 616 I CA -0.799 60.510 61.300 0.014 0.000 1.067 616 I CB 1.625 39.626 38.000 0.001 0.000 1.233 616 I HN 0.344 nan 8.210 nan 0.000 0.431 617 L N 4.918 126.161 121.223 0.034 0.000 2.410 617 L HA 0.588 4.928 4.340 0.000 0.000 0.270 617 L C 0.776 177.671 176.870 0.042 0.000 0.983 617 L CA -0.815 54.049 54.840 0.040 0.000 0.822 617 L CB 2.012 44.098 42.059 0.046 0.000 1.285 617 L HN 0.847 nan 8.230 nan 0.000 0.409 618 G N 1.958 110.783 108.800 0.041 0.000 2.371 618 G HA2 -0.225 3.735 3.960 0.000 0.000 0.299 618 G HA3 -0.225 3.735 3.960 0.000 0.000 0.299 618 G C -0.052 174.876 174.900 0.046 0.000 1.014 618 G CA 0.587 45.713 45.100 0.043 0.000 1.097 618 G HN 0.502 nan 8.290 nan 0.000 0.512 619 S N -1.164 114.560 115.700 0.040 0.000 2.632 619 S HA 0.806 5.276 4.470 0.000 0.000 0.289 619 S C -0.393 174.228 174.600 0.036 0.000 1.115 619 S CA -0.764 57.461 58.200 0.041 0.000 0.889 619 S CB 2.489 65.709 63.200 0.033 0.000 1.116 619 S HN 0.867 nan 8.310 nan 0.000 0.486 620 L N 1.309 122.557 121.223 0.042 0.000 2.409 620 L HA 0.654 4.994 4.340 0.000 0.000 0.272 620 L C 0.490 177.379 176.870 0.032 0.000 0.980 620 L CA -0.020 54.843 54.840 0.039 0.000 0.826 620 L CB 1.067 43.158 42.059 0.053 0.000 1.268 620 L HN 0.947 nan 8.230 nan 0.000 0.407 621 G N 3.558 112.368 108.800 0.016 0.000 2.323 621 G HA2 -0.187 3.773 3.960 0.000 0.000 0.292 621 G HA3 -0.187 3.773 3.960 0.000 0.000 0.292 621 G C 0.100 174.992 174.900 -0.014 0.000 1.040 621 G CA 0.398 45.499 45.100 0.001 0.000 0.942 621 G HN 1.077 nan 8.290 nan 0.000 0.506 622 A N -0.818 121.996 122.820 -0.011 0.000 2.312 622 A HA 0.862 5.182 4.320 0.000 0.000 0.326 622 A C -0.026 177.542 177.584 -0.025 0.000 1.172 622 A CA -0.364 51.662 52.037 -0.019 0.000 0.821 622 A CB 2.016 21.013 19.000 -0.005 0.000 1.166 622 A HN 1.205 nan 8.150 nan 0.000 0.493 623 V N 1.277 121.170 119.914 -0.034 0.000 2.531 623 V HA 0.656 4.776 4.120 0.000 0.000 0.301 623 V C 0.145 176.218 176.094 -0.034 0.000 1.034 623 V CA -0.318 61.961 62.300 -0.035 0.000 0.865 623 V CB 1.566 33.366 31.823 -0.039 0.000 0.995 623 V HN 1.215 nan 8.190 nan 0.000 0.424 624 A N 3.136 125.936 122.820 -0.033 0.000 2.267 624 A HA 0.740 5.060 4.320 0.000 0.000 0.315 624 A C -0.024 177.537 177.584 -0.038 0.000 1.297 624 A CA -0.452 51.566 52.037 -0.032 0.000 0.865 624 A CB 0.412 19.394 19.000 -0.030 0.000 1.165 624 A HN 0.905 nan 8.150 nan 0.000 0.513 625 D N 1.167 121.546 120.400 -0.034 0.000 2.650 625 D HA 0.301 4.941 4.640 0.000 0.000 0.265 625 D C -0.111 176.173 176.300 -0.026 0.000 1.339 625 D CA -0.052 53.928 54.000 -0.034 0.000 0.816 625 D CB 0.434 41.215 40.800 -0.032 0.000 1.091 625 D HN 0.382 nan 8.370 nan 0.000 0.483 626 E N 0.792 120.979 120.200 -0.022 0.000 2.416 626 E HA 0.246 4.596 4.350 0.000 0.000 0.273 626 E C -0.963 175.634 176.600 -0.005 0.000 0.935 626 E CA -0.781 55.615 56.400 -0.007 0.000 0.784 626 E CB 1.365 31.067 29.700 0.003 0.000 1.301 626 E HN 0.127 nan 8.360 nan 0.000 0.454 627 Q N 2.142 121.957 119.800 0.024 0.000 2.263 627 Q HA 0.153 4.493 4.340 0.000 0.000 0.289 627 Q C -0.599 175.447 176.000 0.076 0.000 1.061 627 Q CA 0.349 56.163 55.803 0.018 0.000 0.927 627 Q CB -0.108 28.716 28.738 0.143 0.000 1.154 627 Q HN 0.658 nan 8.270 nan 0.000 0.378 628 F N -1.095 118.781 119.950 -0.123 0.000 2.914 628 F HA -0.304 4.223 4.527 0.000 0.000 0.304 628 F C 0.612 176.310 175.800 -0.171 0.000 0.712 628 F CA 0.652 58.487 58.000 -0.274 0.000 1.211 628 F CB -1.835 36.629 39.000 -0.893 0.000 1.515 628 F HN 0.793 nan 8.300 nan 0.000 0.350 629 A N 0.358 123.190 122.820 0.019 0.000 2.371 629 A HA 0.827 5.147 4.320 0.000 0.000 0.257 629 A C 0.380 177.970 177.584 0.010 0.000 1.089 629 A CA 0.505 52.549 52.037 0.012 0.000 0.794 629 A CB 0.805 19.802 19.000 -0.005 0.000 1.029 629 A HN 1.311 nan 8.150 nan 0.000 0.488 630 A N 0.822 123.653 122.820 0.018 0.000 2.612 630 A HA 0.707 5.027 4.320 0.000 0.000 0.293 630 A C -1.632 175.966 177.584 0.023 0.000 1.075 630 A CA -0.462 51.589 52.037 0.024 0.000 0.680 630 A CB 0.939 19.967 19.000 0.046 0.000 1.279 630 A HN 0.982 nan 8.150 nan 0.000 0.411 631 L N 0.719 121.957 121.223 0.024 0.000 2.455 631 L HA 0.715 5.055 4.340 0.000 0.000 0.264 631 L C -0.919 175.977 176.870 0.042 0.000 0.968 631 L CA 0.038 54.895 54.840 0.028 0.000 0.827 631 L CB 2.065 44.131 42.059 0.012 0.000 1.317 631 L HN 0.629 nan 8.230 nan 0.000 0.407 632 I N 1.354 121.958 120.570 0.058 0.000 2.534 632 I HA 0.369 4.539 4.170 0.000 0.000 0.288 632 I C -0.109 176.054 176.117 0.077 0.000 1.077 632 I CA -0.642 60.698 61.300 0.066 0.000 1.051 632 I CB 2.026 40.071 38.000 0.075 0.000 1.234 632 I HN 0.637 nan 8.210 nan 0.000 0.425 633 S N 3.370 119.114 115.700 0.072 0.000 3.711 633 S HA -0.144 4.326 4.470 0.000 0.000 0.374 633 S C -0.165 174.491 174.600 0.094 0.000 0.969 633 S CA 0.751 59.001 58.200 0.082 0.000 1.198 633 S CB -0.828 62.427 63.200 0.091 0.000 0.903 633 S HN 0.875 nan 8.310 nan 0.000 0.493 634 A N 0.662 123.529 122.820 0.078 0.000 2.401 634 A HA 0.860 5.180 4.320 0.000 0.000 0.310 634 A C -0.008 177.624 177.584 0.079 0.000 1.075 634 A CA -0.466 51.617 52.037 0.077 0.000 0.746 634 A CB 1.831 20.854 19.000 0.039 0.000 1.277 634 A HN 0.394 nan 8.150 nan 0.000 0.425 635 S N 1.337 117.103 115.700 0.110 0.000 2.521 635 S HA 0.497 4.967 4.470 0.000 0.000 0.295 635 S C -0.769 173.856 174.600 0.041 0.000 1.098 635 S CA -0.417 57.866 58.200 0.139 0.000 0.999 635 S CB 1.367 64.737 63.200 0.284 0.000 1.034 635 S HN 0.700 nan 8.310 nan 0.000 0.483 636 Q N 0.576 120.371 119.800 -0.008 0.000 2.439 636 Q HA -0.156 4.184 4.340 0.000 0.000 0.325 636 Q C -0.676 175.197 176.000 -0.212 0.000 1.372 636 Q CA 0.678 56.405 55.803 -0.127 0.000 0.909 636 Q CB -1.991 26.616 28.738 -0.218 0.000 1.167 636 Q HN 0.619 nan 8.270 nan 0.000 0.418 637 S N -0.060 115.563 115.700 -0.129 0.000 2.595 637 S HA 0.775 5.245 4.470 0.000 0.000 0.281 637 S C -0.356 174.191 174.600 -0.089 0.000 1.117 637 S CA -0.964 57.157 58.200 -0.132 0.000 0.873 637 S CB 2.944 66.078 63.200 -0.110 0.000 1.108 637 S HN 0.387 nan 8.310 nan 0.000 0.477 638 R N 1.018 121.465 120.500 -0.088 0.000 2.502 638 R HA 0.669 5.009 4.340 0.000 0.000 0.300 638 R C -1.440 174.823 176.300 -0.061 0.000 0.984 638 R CA -0.545 55.515 56.100 -0.067 0.000 0.882 638 R CB 1.140 31.401 30.300 -0.066 0.000 1.180 638 R HN 0.744 nan 8.270 nan 0.000 0.444 639 A N 2.883 125.675 122.820 -0.046 0.000 2.253 639 A HA 0.389 4.709 4.320 0.000 0.000 0.316 639 A C -0.115 177.450 177.584 -0.031 0.000 1.327 639 A CA -0.477 51.537 52.037 -0.039 0.000 0.917 639 A CB 1.129 20.113 19.000 -0.026 0.000 1.162 639 A HN 0.784 nan 8.150 nan 0.000 0.535 640 S N 1.665 117.346 115.700 -0.031 0.000 2.629 640 S HA 0.276 4.746 4.470 0.000 0.000 0.236 640 S C 0.883 175.474 174.600 -0.016 0.000 1.010 640 S CA 0.245 58.431 58.200 -0.024 0.000 0.981 640 S CB 0.527 63.711 63.200 -0.026 0.000 0.919 640 S HN 1.005 nan 8.310 nan 0.000 0.514 641 G N 1.765 110.555 108.800 -0.017 0.000 2.451 641 G HA2 0.397 4.357 3.960 0.000 0.000 0.303 641 G HA3 0.397 4.357 3.960 0.000 0.000 0.303 641 G C -0.396 174.495 174.900 -0.016 0.000 1.166 641 G CA -0.588 44.503 45.100 -0.016 0.000 0.884 641 G HN 0.208 nan 8.290 nan 0.000 0.514 642 N N 0.102 118.784 118.700 -0.031 0.000 2.438 642 N HA 0.013 4.753 4.740 0.000 0.000 0.267 642 N C 0.173 175.598 175.510 -0.141 0.000 1.222 642 N CA 0.129 53.155 53.050 -0.040 0.000 0.930 642 N CB -0.302 38.148 38.487 -0.062 0.000 1.083 642 N HN 0.604 nan 8.380 nan 0.000 0.476 643 H N -0.228 118.704 119.070 -0.229 0.000 2.713 643 H HA -0.230 4.326 4.556 0.000 0.000 0.311 643 H C -0.694 174.554 175.328 -0.133 0.000 1.175 643 H CA 0.880 56.786 56.048 -0.236 0.000 1.143 643 H CB -1.734 27.654 29.762 -0.624 0.000 1.434 643 H HN 0.555 nan 8.280 nan 0.000 0.418 644 N N 0.849 119.558 118.700 0.015 0.000 2.426 644 N HA 0.382 5.122 4.740 0.000 0.000 0.257 644 N C -0.966 174.561 175.510 0.028 0.000 1.002 644 N CA -0.836 52.223 53.050 0.014 0.000 0.942 644 N CB 0.735 39.217 38.487 -0.008 0.000 1.112 644 N HN 0.299 nan 8.380 nan 0.000 0.499 645 L N 4.967 126.218 121.223 0.046 0.000 2.322 645 L HA 0.639 4.979 4.340 0.000 0.000 0.281 645 L C -1.032 175.856 176.870 0.030 0.000 1.014 645 L CA -0.495 54.378 54.840 0.055 0.000 0.815 645 L CB 0.958 43.073 42.059 0.094 0.000 1.247 645 L HN 0.528 nan 8.230 nan 0.000 0.421 646 I N 6.006 126.583 120.570 0.012 0.000 2.377 646 I HA 0.425 4.595 4.170 0.000 0.000 0.293 646 I C -0.820 175.322 176.117 0.042 0.000 0.987 646 I CA -0.557 60.727 61.300 -0.026 0.000 1.185 646 I CB 1.509 39.477 38.000 -0.053 0.000 1.341 646 I HN 0.485 nan 8.210 nan 0.000 0.455 647 L N 4.687 125.959 121.223 0.081 0.000 2.381 647 L HA 0.407 4.747 4.340 0.000 0.000 0.268 647 L C 0.299 177.296 176.870 0.212 0.000 0.997 647 L CA -0.765 54.187 54.840 0.187 0.000 0.818 647 L CB 1.903 44.159 42.059 0.328 0.000 1.310 647 L HN 0.618 nan 8.230 nan 0.000 0.416 648 S N 1.118 116.930 115.700 0.186 0.000 3.608 648 S HA -0.151 4.319 4.470 0.000 0.000 0.382 648 S C -0.140 174.590 174.600 0.218 0.000 0.945 648 S CA 0.629 58.952 58.200 0.205 0.000 1.256 648 S CB -0.970 62.377 63.200 0.244 0.000 0.913 648 S HN 0.708 nan 8.310 nan 0.000 0.518 649 S N 0.153 115.957 115.700 0.172 0.000 2.627 649 S HA 0.796 5.266 4.470 0.000 0.000 0.283 649 S C -1.073 173.652 174.600 0.208 0.000 1.127 649 S CA -0.791 57.509 58.200 0.166 0.000 0.863 649 S CB 1.915 65.132 63.200 0.029 0.000 1.121 649 S HN 0.489 nan 8.310 nan 0.000 0.479 650 Y N 0.095 120.424 120.300 0.049 0.000 2.442 650 Y HA 0.531 5.081 4.550 0.000 0.000 0.344 650 Y C 0.435 176.208 175.900 -0.212 0.000 0.976 650 Y CA 0.176 58.217 58.100 -0.100 0.000 1.040 650 Y CB 1.372 39.716 38.460 -0.194 0.000 1.228 650 Y HN 0.987 nan 8.280 nan 0.000 0.451 651 G N 5.329 113.509 108.800 -1.034 0.000 2.221 651 G HA2 -0.258 3.702 3.960 0.000 0.000 0.265 651 G HA3 -0.258 3.702 3.960 0.000 0.000 0.265 651 G C -0.346 174.275 174.900 -0.465 0.000 1.041 651 G CA 0.588 45.095 45.100 -0.988 0.000 0.807 651 G HN 1.182 nan 8.290 nan 0.000 0.502 652 I N -3.462 116.923 120.570 -0.308 0.000 2.740 652 I HA 0.782 4.952 4.170 0.000 0.000 0.303 652 I C -0.797 175.225 176.117 -0.159 0.000 1.044 652 I CA -1.525 59.655 61.300 -0.200 0.000 1.064 652 I CB 2.234 40.135 38.000 -0.166 0.000 1.249 652 I HN -0.091 nan 8.210 nan 0.000 0.433 653 N N 3.352 121.976 118.700 -0.126 0.000 2.399 653 N HA 0.437 5.177 4.740 0.000 0.000 0.284 653 N C -0.956 174.504 175.510 -0.084 0.000 1.025 653 N CA -0.384 52.607 53.050 -0.099 0.000 0.885 653 N CB 2.295 40.731 38.487 -0.086 0.000 1.339 653 N HN 0.874 nan 8.380 nan 0.000 0.487 654 T N -2.483 112.026 114.554 -0.077 0.000 2.912 654 T HA 0.632 4.982 4.350 0.000 0.000 0.288 654 T C 0.781 175.453 174.700 -0.046 0.000 1.030 654 T CA -0.595 61.464 62.100 -0.067 0.000 1.020 654 T CB 1.831 70.650 68.868 -0.081 0.000 1.056 654 T HN 0.451 nan 8.240 nan 0.000 0.480 655 T N -2.368 112.165 114.554 -0.034 0.000 3.130 655 T HA 0.406 4.756 4.350 0.000 0.000 0.288 655 T C 0.963 175.657 174.700 -0.011 0.000 0.936 655 T CA -0.001 62.086 62.100 -0.022 0.000 0.897 655 T CB -0.236 68.621 68.868 -0.018 0.000 1.178 655 T HN 1.010 nan 8.240 nan 0.000 0.543 656 G N 1.166 109.960 108.800 -0.009 0.000 2.503 656 G HA2 0.480 4.440 3.960 0.000 0.000 0.257 656 G HA3 0.480 4.440 3.960 0.000 0.000 0.257 656 G C -0.457 174.449 174.900 0.009 0.000 1.214 656 G CA -0.431 44.674 45.100 0.008 0.000 0.839 656 G HN 0.326 nan 8.290 nan 0.000 0.559 657 S N 0.111 115.829 115.700 0.031 0.000 2.513 657 S HA 0.328 4.798 4.470 0.000 0.000 0.276 657 S C -0.644 174.023 174.600 0.112 0.000 1.254 657 S CA -0.217 57.990 58.200 0.013 0.000 1.053 657 S CB 0.290 63.549 63.200 0.099 0.000 0.958 657 S HN 0.539 nan 8.310 nan 0.000 0.491 658 Y N 0.439 120.749 120.300 0.017 0.000 3.168 658 Y HA -0.221 4.329 4.550 0.000 0.000 0.207 658 Y C 0.266 176.180 175.900 0.025 0.000 1.280 658 Y CA 0.351 58.447 58.100 -0.007 0.000 1.235 658 Y CB -1.449 36.953 38.460 -0.096 0.000 1.370 658 Y HN 0.409 nan 8.280 nan 0.000 0.537 659 K N 0.188 120.656 120.400 0.114 0.000 2.378 659 K HA 0.762 5.082 4.320 0.000 0.000 0.252 659 K C -0.472 176.187 176.600 0.099 0.000 0.931 659 K CA -1.053 55.296 56.287 0.103 0.000 0.794 659 K CB 2.713 35.251 32.500 0.062 0.000 1.181 659 K HN -0.060 nan 8.250 nan 0.000 0.425 660 V N 2.980 122.982 119.914 0.147 0.000 2.394 660 V HA 0.363 4.483 4.120 0.000 0.000 0.282 660 V C -0.044 176.117 176.094 0.111 0.000 1.031 660 V CA -0.824 61.587 62.300 0.185 0.000 0.881 660 V CB 1.192 33.202 31.823 0.313 0.000 0.982 660 V HN 0.654 nan 8.190 nan 0.000 0.451 661 N N 2.372 120.971 118.700 -0.169 0.000 2.265 661 N HA 0.774 5.514 4.740 0.000 0.000 0.300 661 N C -0.257 174.540 175.510 -1.190 0.000 1.148 661 N CA -0.262 52.411 53.050 -0.628 0.000 0.772 661 N CB 2.809 41.087 38.487 -0.349 0.000 1.434 661 N HN 0.862 nan 8.380 nan 0.000 0.481 662 G N -1.345 106.270 108.800 -1.975 0.000 2.672 662 G HA2 0.785 4.745 3.960 0.000 0.000 0.292 662 G HA3 0.785 4.745 3.960 0.000 0.000 0.292 662 G C -0.863 173.571 174.900 -0.777 0.000 1.375 662 G CA -0.568 43.773 45.100 -1.266 0.000 0.890 662 G HN 0.704 nan 8.290 nan 0.000 0.476 663 G N -1.591 107.060 108.800 -0.249 0.000 2.342 663 G HA2 0.574 4.534 3.960 0.000 0.000 0.297 663 G HA3 0.574 4.534 3.960 0.000 0.000 0.297 663 G C -2.251 172.750 174.900 0.167 0.000 1.313 663 G CA -0.574 44.497 45.100 -0.048 0.000 0.830 663 G HN 1.238 nan 8.290 nan 0.000 0.506 664 F N 0.980 120.943 119.950 0.022 0.000 3.051 664 F HA 0.445 4.972 4.527 0.000 0.000 0.363 664 F C 0.899 176.750 175.800 0.086 0.000 1.257 664 F CA -0.118 57.948 58.000 0.111 0.000 1.126 664 F CB 0.860 39.942 39.000 0.137 0.000 1.476 664 F HN 0.850 nan 8.300 nan 0.000 0.576 665 E N 1.687 121.762 120.200 -0.208 0.000 4.976 665 E HA -0.295 4.055 4.350 0.000 0.000 0.222 665 E C -0.452 176.097 176.600 -0.086 0.000 0.944 665 E CA 1.769 58.064 56.400 -0.176 0.000 1.778 665 E CB -0.702 28.951 29.700 -0.079 0.000 1.790 665 E HN 0.638 nan 8.360 nan 0.000 0.404 666 K N 0.588 120.979 120.400 -0.015 0.000 2.435 666 K HA 0.680 5.000 4.320 0.000 0.000 0.251 666 K C -0.319 176.263 176.600 -0.029 0.000 0.954 666 K CA -0.875 55.400 56.287 -0.020 0.000 0.820 666 K CB 1.875 34.384 32.500 0.015 0.000 1.292 666 K HN -0.065 nan 8.250 nan 0.000 0.436 667 I N 2.022 122.556 120.570 -0.061 0.000 2.683 667 I HA -0.070 4.100 4.170 0.000 0.000 0.286 667 I C 0.487 176.569 176.117 -0.060 0.000 1.175 667 I CA 0.269 61.507 61.300 -0.104 0.000 1.429 667 I CB 0.120 38.054 38.000 -0.110 0.000 1.371 667 I HN 0.756 nan 8.210 nan 0.000 0.569 668 N N 5.502 124.145 118.700 -0.095 0.000 2.239 668 N HA 0.163 4.903 4.740 0.000 0.000 0.208 668 N C -0.835 174.765 175.510 0.151 0.000 1.200 668 N CA -0.290 52.782 53.050 0.037 0.000 0.895 668 N CB 0.660 39.218 38.487 0.119 0.000 1.085 668 N HN 0.638 nan 8.380 nan 0.000 0.500 669 W N 0.560 121.892 121.300 0.054 0.000 3.074 669 W HA 0.613 5.273 4.660 0.000 0.000 0.332 669 W C -1.774 174.772 176.519 0.044 0.000 1.253 669 W CA -0.542 56.831 57.345 0.048 0.000 1.180 669 W CB 0.962 30.452 29.460 0.051 0.000 1.445 669 W HN -0.289 nan 8.180 nan 0.000 0.573 670 E N 1.584 122.059 120.200 0.459 0.000 2.335 670 E HA 0.479 4.829 4.350 0.000 0.000 0.280 670 E C -1.968 174.843 176.600 0.352 0.000 0.918 670 E CA -0.674 55.917 56.400 0.317 0.000 0.765 670 E CB 2.434 32.210 29.700 0.127 0.000 1.218 670 E HN 0.540 nan 8.360 nan 0.000 0.425 671 L N 3.696 125.127 121.223 0.347 0.000 2.276 671 L HA 0.401 4.741 4.340 0.000 0.000 0.286 671 L C -0.511 176.454 176.870 0.158 0.000 1.024 671 L CA -0.857 54.114 54.840 0.219 0.000 0.826 671 L CB 1.184 43.370 42.059 0.211 0.000 1.211 671 L HN 0.478 nan 8.230 nan 0.000 0.422 672 D N 1.533 122.002 120.400 0.115 0.000 2.467 672 D HA 0.165 4.805 4.640 0.000 0.000 0.220 672 D C 0.810 177.154 176.300 0.073 0.000 1.103 672 D CA -0.148 53.908 54.000 0.094 0.000 0.886 672 D CB 1.447 42.291 40.800 0.073 0.000 1.025 672 D HN 0.366 nan 8.370 nan 0.000 0.514 673 S N 3.258 119.011 115.700 0.089 0.000 2.423 673 S HA -0.083 4.387 4.470 0.000 0.000 0.231 673 S C 1.834 176.423 174.600 -0.018 0.000 1.014 673 S CA 0.110 58.339 58.200 0.048 0.000 0.965 673 S CB 0.052 63.302 63.200 0.084 0.000 0.785 673 S HN 0.592 nan 8.310 nan 0.000 0.495 674 L N 1.617 122.844 121.223 0.006 0.000 2.005 674 L HA -0.057 4.283 4.340 0.000 0.000 0.207 674 L C 1.278 178.115 176.870 -0.056 0.000 1.072 674 L CA 1.388 56.186 54.840 -0.071 0.000 0.744 674 L CB -0.224 41.843 42.059 0.013 0.000 0.895 674 L HN 0.327 nan 8.230 nan 0.000 0.433 675 N N -0.681 118.012 118.700 -0.012 0.000 2.220 675 N HA 0.072 4.812 4.740 0.000 0.000 0.195 675 N C 0.908 176.416 175.510 -0.004 0.000 1.123 675 N CA 0.896 53.940 53.050 -0.010 0.000 0.874 675 N CB 0.926 39.417 38.487 0.006 0.000 0.995 675 N HN 0.379 nan 8.380 nan 0.000 0.498 676 G N 1.882 110.684 108.800 0.003 0.000 2.272 676 G HA2 -0.300 3.660 3.960 0.000 0.000 0.280 676 G HA3 -0.300 3.660 3.960 0.000 0.000 0.280 676 G C -0.195 174.717 174.900 0.019 0.000 1.067 676 G CA -0.031 45.074 45.100 0.008 0.000 0.902 676 G HN 0.287 nan 8.290 nan 0.000 0.500 677 R N -1.077 119.443 120.500 0.033 0.000 2.664 677 R HA 0.774 5.114 4.340 0.000 0.000 0.286 677 R C 0.024 176.360 176.300 0.060 0.000 0.967 677 R CA -0.837 55.287 56.100 0.041 0.000 0.933 677 R CB 1.592 31.916 30.300 0.040 0.000 1.146 677 R HN 0.245 nan 8.270 nan 0.000 0.468 678 I N 2.171 122.778 120.570 0.060 0.000 2.465 678 I HA 0.369 4.539 4.170 0.000 0.000 0.291 678 I C -0.629 175.540 176.117 0.087 0.000 1.014 678 I CA -0.659 60.689 61.300 0.081 0.000 1.093 678 I CB 1.915 39.950 38.000 0.059 0.000 1.267 678 I HN 0.349 nan 8.210 nan 0.000 0.431 679 K N 5.015 125.489 120.400 0.123 0.000 2.427 679 K HA 0.843 5.163 4.320 0.000 0.000 0.252 679 K C -1.196 175.503 176.600 0.165 0.000 0.931 679 K CA -0.662 55.695 56.287 0.117 0.000 0.793 679 K CB 2.748 35.307 32.500 0.099 0.000 1.211 679 K HN 0.629 nan 8.250 nan 0.000 0.426 680 A N 1.650 124.550 122.820 0.134 0.000 2.374 680 A HA 0.419 4.739 4.320 0.000 0.000 0.317 680 A C 0.642 178.295 177.584 0.115 0.000 1.094 680 A CA -0.705 51.428 52.037 0.159 0.000 0.765 680 A CB 1.478 20.554 19.000 0.127 0.000 1.268 680 A HN 0.941 nan 8.150 nan 0.000 0.438 681 R N 0.129 120.701 120.500 0.119 0.000 2.075 681 R HA -0.111 4.229 4.340 0.000 0.000 0.232 681 R C 0.777 177.118 176.300 0.068 0.000 1.126 681 R CA 2.254 58.404 56.100 0.082 0.000 0.963 681 R CB -0.045 30.304 30.300 0.080 0.000 0.858 681 R HN 0.906 nan 8.270 nan 0.000 0.435 682 D N -0.841 119.603 120.400 0.074 0.000 2.714 682 D HA 0.032 4.672 4.640 0.000 0.000 0.259 682 D C -0.322 176.005 176.300 0.045 0.000 1.242 682 D CA 0.840 54.871 54.000 0.052 0.000 1.106 682 D CB 0.352 41.181 40.800 0.048 0.000 0.931 682 D HN 0.160 nan 8.370 nan 0.000 0.231 683 T N -1.285 113.290 114.554 0.036 0.000 2.945 683 T HA 0.665 5.015 4.350 0.000 0.000 0.286 683 T C -0.419 174.297 174.700 0.026 0.000 1.025 683 T CA -0.837 61.277 62.100 0.023 0.000 1.039 683 T CB 1.557 70.428 68.868 0.005 0.000 1.068 683 T HN 0.019 nan 8.240 nan 0.000 0.497 684 V N 2.626 122.553 119.914 0.020 0.000 2.444 684 V HA 0.738 4.858 4.120 0.000 0.000 0.294 684 V C 0.143 176.241 176.094 0.006 0.000 1.022 684 V CA -0.674 61.636 62.300 0.017 0.000 0.850 684 V CB 1.302 33.140 31.823 0.025 0.000 0.992 684 V HN 1.333 nan 8.190 nan 0.000 0.426 685 T N 1.239 115.792 114.554 -0.001 0.000 2.916 685 T HA 0.820 5.170 4.350 0.000 0.000 0.305 685 T C -0.005 174.694 174.700 -0.003 0.000 1.119 685 T CA -0.292 61.801 62.100 -0.011 0.000 1.008 685 T CB 1.992 70.840 68.868 -0.034 0.000 1.129 685 T HN 0.873 nan 8.240 nan 0.000 0.480 686 G N -0.923 107.877 108.800 -0.001 0.000 2.613 686 G HA2 0.589 4.549 3.960 0.000 0.000 0.303 686 G HA3 0.589 4.549 3.960 0.000 0.000 0.303 686 G C 0.931 175.828 174.900 -0.006 0.000 1.312 686 G CA -0.508 44.599 45.100 0.012 0.000 1.036 686 G HN 2.058 nan 8.290 nan 0.000 0.513 687 G N -0.884 107.922 108.800 0.011 0.000 2.198 687 G HA2 -0.260 3.700 3.960 0.000 0.000 0.260 687 G HA3 -0.260 3.700 3.960 0.000 0.000 0.260 687 G C 0.267 175.143 174.900 -0.040 0.000 1.025 687 G CA 0.243 45.341 45.100 -0.003 0.000 0.769 687 G HN 0.636 nan 8.290 nan 0.000 0.507 688 N N -0.196 118.465 118.700 -0.065 0.000 2.515 688 N HA 0.571 5.311 4.740 0.000 0.000 0.279 688 N C -0.098 175.307 175.510 -0.176 0.000 1.164 688 N CA 0.368 53.270 53.050 -0.248 0.000 0.982 688 N CB 1.578 39.741 38.487 -0.541 0.000 1.170 688 N HN 0.215 nan 8.380 nan 0.000 0.474 689 T N -0.115 114.272 114.554 -0.277 0.000 2.916 689 T HA 0.406 4.756 4.350 0.000 0.000 0.292 689 T C -0.847 173.737 174.700 -0.193 0.000 1.064 689 T CA -0.550 61.534 62.100 -0.027 0.000 1.011 689 T CB 0.747 69.639 68.868 0.041 0.000 1.152 689 T HN 0.388 nan 8.240 nan 0.000 0.510 690 W N 3.744 125.036 121.300 -0.012 0.000 2.102 690 W HA 0.449 5.109 4.660 0.000 0.000 0.357 690 W C 0.340 176.853 176.519 -0.010 0.000 0.717 690 W CA -0.637 56.701 57.345 -0.012 0.000 2.518 690 W CB -0.268 29.184 29.460 -0.014 0.000 2.010 690 W HN 0.803 nan 8.180 nan 0.000 0.672 691 S N 0.000 115.744 115.700 0.074 0.000 2.498 691 S HA 0.000 4.470 4.470 0.000 0.000 0.327 691 S CA 0.000 58.227 58.200 0.045 0.000 1.107 691 S CB 0.000 63.235 63.200 0.058 0.000 0.593 691 S HN 0.000 nan 8.310 nan 0.000 0.517