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 1t9d_1_D DATA FIRST_RESID 85 DATA SEQUENCE MDTSFVGLTG GQIFNEMMSR QNVDTVFGYP GGAILPVYDA IHNSDKFNFV DATA SEQUENCE LPKHEQGAGH MAEGYARASG KPGVVLVTSG PGATNVVTPM ADAFADGIPM DATA SEQUENCE VVFTGQVPTS AIGTDAFQEA DVVGISRSCT KWNVMVKSVE ELPLRINEAF DATA SEQUENCE EIATSGRPGP VLVDLPKDVT AAILRNPIPT KTTLPSXXXX XXXSRAQDEF DATA SEQUENCE VMQSINKAAD LINLAKKPVL YVGAGILNHA DGPRLLKELS DRAQIPVTTT DATA SEQUENCE LQGLGSFDQE DPKSLDMLGM HGCATANLAV QNADLIIAVG ARFDDRVTGN DATA SEQUENCE ISKFAPEARR AAAEGRGGII HFEVSPKNIN KVVQTQIAVE GDATTNLGKM DATA SEQUENCE MSKIFPVKER SEWFAQINKW KKEYPYAYME ETPGSKIKPQ TVIKKLSKVA DATA SEQUENCE NDTGRHVIVT TGVGQHQMWA AQHWTWRNPH TFITSGGLGT MGYGLPAAIG DATA SEQUENCE AQVAKPESLV IDIDGDASFN MTLTELSSAV QAGTPVKILI LNNEEQGMVT DATA SEQUENCE QWQSLFYEHR YSHTHQLNPD FIKLAEAMGL KGLRVKKQEE LDAKLKEFVS DATA SEQUENCE TKGPVLLEVE VDKKVPVLPM VAGGSGLDEF INFDPEVERQ QTELRHKRTG DATA SEQUENCE GKH 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 85 M HA 0.000 nan 4.480 nan 0.000 0.227 85 M C 0.000 176.279 176.300 -0.034 0.000 1.140 85 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 85 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 86 D N 0.192 120.565 120.400 -0.045 0.000 2.649 86 D HA 0.699 5.339 4.640 0.000 0.000 0.249 86 D C 0.374 176.633 176.300 -0.070 0.000 1.112 86 D CA -0.024 53.925 54.000 -0.085 0.000 0.850 86 D CB 1.651 42.364 40.800 -0.145 0.000 1.399 86 D HN 0.702 nan 8.370 nan 0.000 0.503 87 T N -0.683 113.831 114.554 -0.067 0.000 3.044 87 T HA 0.061 4.411 4.350 0.000 0.000 0.260 87 T C 1.638 176.323 174.700 -0.025 0.000 1.019 87 T CA 0.416 62.500 62.100 -0.026 0.000 0.921 87 T CB -0.205 68.657 68.868 -0.010 0.000 1.053 87 T HN 0.268 nan 8.240 nan 0.000 0.533 88 S N 1.113 116.750 115.700 -0.104 0.000 2.419 88 S HA -0.060 4.410 4.470 0.000 0.000 0.235 88 S C 1.197 175.842 174.600 0.074 0.000 1.019 88 S CA 0.589 58.734 58.200 -0.093 0.000 0.982 88 S CB -0.854 62.205 63.200 -0.234 0.000 0.789 88 S HN 0.394 nan 8.310 nan 0.000 0.490 89 F N 1.672 121.626 119.950 0.008 0.000 2.727 89 F HA 0.427 4.954 4.527 0.000 0.000 0.302 89 F C 0.724 176.532 175.800 0.014 0.000 1.097 89 F CA -1.774 56.233 58.000 0.012 0.000 1.330 89 F CB -0.660 38.349 39.000 0.016 0.000 1.084 89 F HN -0.036 nan 8.300 nan 0.000 0.578 90 V N 0.874 120.898 119.914 0.183 0.000 2.540 90 V HA 0.309 4.429 4.120 0.000 0.000 0.297 90 V C 1.257 177.404 176.094 0.088 0.000 1.024 90 V CA 1.286 63.652 62.300 0.111 0.000 1.105 90 V CB 0.106 31.970 31.823 0.068 0.000 0.938 90 V HN 0.645 nan 8.190 nan 0.000 0.482 91 G N 3.881 112.721 108.800 0.067 0.000 2.213 91 G HA2 -0.180 3.780 3.960 0.000 0.000 0.226 91 G HA3 -0.180 3.780 3.960 0.000 0.000 0.226 91 G C -0.031 174.891 174.900 0.037 0.000 0.992 91 G CA -0.085 45.043 45.100 0.047 0.000 0.632 91 G HN 0.539 nan 8.290 nan 0.000 0.511 92 L N 1.969 123.217 121.223 0.043 0.000 2.379 92 L HA 0.625 4.965 4.340 0.000 0.000 0.269 92 L C 1.478 178.342 176.870 -0.011 0.000 1.084 92 L CA -0.290 54.553 54.840 0.005 0.000 0.802 92 L CB 1.373 43.414 42.059 -0.030 0.000 1.175 92 L HN 0.373 nan 8.230 nan 0.000 0.448 93 T N -1.811 112.728 114.554 -0.024 0.000 2.816 93 T HA 0.206 4.556 4.350 0.000 0.000 0.282 93 T C 1.247 175.925 174.700 -0.038 0.000 0.993 93 T CA -0.146 61.942 62.100 -0.021 0.000 0.994 93 T CB 1.427 70.284 68.868 -0.017 0.000 1.025 93 T HN 0.702 nan 8.240 nan 0.000 0.529 94 G N 0.038 108.825 108.800 -0.022 0.000 2.422 94 G HA2 0.034 3.994 3.960 0.000 0.000 0.218 94 G HA3 0.034 3.994 3.960 0.000 0.000 0.218 94 G C 1.535 176.427 174.900 -0.013 0.000 1.146 94 G CA 0.560 45.650 45.100 -0.017 0.000 0.769 94 G HN 1.008 nan 8.290 nan 0.000 0.547 95 G N 0.273 109.059 108.800 -0.023 0.000 2.421 95 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 95 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 95 G C 1.777 176.692 174.900 0.025 0.000 1.171 95 G CA 1.042 46.131 45.100 -0.018 0.000 0.775 95 G HN 0.503 nan 8.290 nan 0.000 0.543 96 Q N -0.357 119.429 119.800 -0.024 0.000 2.170 96 Q HA 0.044 4.384 4.340 0.000 0.000 0.203 96 Q C 2.558 178.475 176.000 -0.138 0.000 0.976 96 Q CA 0.788 56.560 55.803 -0.051 0.000 0.858 96 Q CB -0.141 28.562 28.738 -0.058 0.000 0.907 96 Q HN 0.539 nan 8.270 nan 0.000 0.433 97 I N -0.281 120.161 120.570 -0.212 0.000 2.353 97 I HA -0.221 3.949 4.170 0.000 0.000 0.248 97 I C 2.014 177.976 176.117 -0.257 0.000 1.119 97 I CA 0.670 61.696 61.300 -0.457 0.000 1.417 97 I CB -0.165 37.557 38.000 -0.464 0.000 1.078 97 I HN 0.179 nan 8.210 nan 0.000 0.421 98 F N 1.944 121.760 119.950 -0.223 0.000 2.069 98 F HA -0.295 4.232 4.527 0.000 0.000 0.298 98 F C 2.347 178.056 175.800 -0.151 0.000 1.113 98 F CA 2.072 59.952 58.000 -0.199 0.000 1.214 98 F CB -0.568 38.296 39.000 -0.227 0.000 0.978 98 F HN 0.076 nan 8.300 nan 0.000 0.474 99 N N 0.013 118.767 118.700 0.089 0.000 2.061 99 N HA -0.234 4.506 4.740 0.000 0.000 0.193 99 N C 1.710 177.195 175.510 -0.042 0.000 1.030 99 N CA 1.696 54.801 53.050 0.092 0.000 0.856 99 N CB -0.139 38.411 38.487 0.106 0.000 1.023 99 N HN 0.351 nan 8.380 nan 0.000 0.424 100 E N 0.538 120.672 120.200 -0.109 0.000 2.077 100 E HA -0.145 4.205 4.350 0.000 0.000 0.193 100 E C 2.059 178.609 176.600 -0.083 0.000 0.989 100 E CA 0.808 57.156 56.400 -0.087 0.000 0.800 100 E CB -0.267 29.354 29.700 -0.132 0.000 0.746 100 E HN 0.527 nan 8.360 nan 0.000 0.452 101 M N -0.219 119.272 119.600 -0.181 0.000 2.229 101 M HA -0.043 4.438 4.480 0.000 0.000 0.264 101 M C 2.089 178.217 176.300 -0.288 0.000 1.063 101 M CA 0.875 56.066 55.300 -0.182 0.000 1.114 101 M CB -0.595 31.884 32.600 -0.201 0.000 1.387 101 M HN 0.099 nan 8.290 nan 0.000 0.420 102 M N 0.338 119.718 119.600 -0.366 0.000 2.080 102 M HA -0.135 4.345 4.480 0.000 0.000 0.260 102 M C 2.390 178.591 176.300 -0.165 0.000 1.068 102 M CA 2.019 57.112 55.300 -0.345 0.000 1.109 102 M CB -1.655 30.750 32.600 -0.325 0.000 1.342 102 M HN 0.405 nan 8.290 nan 0.000 0.405 103 S N -0.144 115.524 115.700 -0.054 0.000 2.453 103 S HA -0.055 4.415 4.470 0.000 0.000 0.231 103 S C 2.194 176.761 174.600 -0.055 0.000 1.005 103 S CA 1.228 59.420 58.200 -0.014 0.000 0.949 103 S CB -0.827 62.384 63.200 0.018 0.000 0.774 103 S HN 0.529 nan 8.310 nan 0.000 0.510 104 R N 0.904 121.354 120.500 -0.083 0.000 2.193 104 R HA 0.251 4.591 4.340 0.000 0.000 0.213 104 R C 2.005 178.219 176.300 -0.143 0.000 1.055 104 R CA 1.069 57.122 56.100 -0.078 0.000 0.995 104 R CB -1.152 29.124 30.300 -0.039 0.000 0.893 104 R HN 0.501 nan 8.270 nan 0.000 0.459 105 Q N -0.040 119.608 119.800 -0.254 0.000 2.280 105 Q HA 0.082 4.422 4.340 0.000 0.000 0.201 105 Q C -0.415 175.445 176.000 -0.233 0.000 0.890 105 Q CA 0.070 55.642 55.803 -0.385 0.000 0.947 105 Q CB -0.012 28.160 28.738 -0.943 0.000 1.081 105 Q HN 0.817 nan 8.270 nan 0.000 0.502 106 N N -0.208 118.418 118.700 -0.124 0.000 2.754 106 N HA -0.158 4.582 4.740 0.000 0.000 0.248 106 N C -1.031 174.477 175.510 -0.003 0.000 1.093 106 N CA -0.165 52.860 53.050 -0.041 0.000 0.699 106 N CB -0.523 37.953 38.487 -0.018 0.000 1.016 106 N HN -0.071 nan 8.380 nan 0.000 0.552 107 V N 1.892 121.786 119.914 -0.034 0.000 2.432 107 V HA 0.117 4.237 4.120 0.000 0.000 0.271 107 V C 0.918 177.049 176.094 0.061 0.000 1.046 107 V CA 0.577 62.879 62.300 0.003 0.000 0.945 107 V CB 1.422 33.186 31.823 -0.098 0.000 0.992 107 V HN 0.408 nan 8.190 nan 0.000 0.471 108 D N 1.811 122.266 120.400 0.092 0.000 2.441 108 D HA 0.111 4.751 4.640 0.000 0.000 0.210 108 D C 0.335 176.687 176.300 0.088 0.000 1.102 108 D CA 0.046 54.128 54.000 0.136 0.000 0.840 108 D CB 0.572 41.452 40.800 0.134 0.000 0.990 108 D HN 0.486 nan 8.370 nan 0.000 0.505 109 T N -0.124 114.369 114.554 -0.103 0.000 2.952 109 T HA 0.554 4.904 4.350 0.000 0.000 0.305 109 T C -1.223 173.144 174.700 -0.554 0.000 1.064 109 T CA -0.671 61.209 62.100 -0.367 0.000 1.008 109 T CB 2.461 70.942 68.868 -0.645 0.000 1.078 109 T HN -0.141 nan 8.240 nan 0.000 0.459 110 V N 3.410 122.941 119.914 -0.638 0.000 2.638 110 V HA 0.605 4.725 4.120 0.000 0.000 0.306 110 V C -1.300 174.245 176.094 -0.914 0.000 1.052 110 V CA -0.919 61.027 62.300 -0.589 0.000 0.885 110 V CB 1.459 33.014 31.823 -0.448 0.000 0.999 110 V HN 0.829 nan 8.190 nan 0.000 0.424 111 F N 2.686 122.379 119.950 -0.429 0.000 2.427 111 F HA 0.901 5.428 4.527 0.000 0.000 0.346 111 F C 0.798 176.416 175.800 -0.304 0.000 1.120 111 F CA -0.269 57.475 58.000 -0.427 0.000 1.033 111 F CB 2.061 40.929 39.000 -0.220 0.000 1.126 111 F HN 0.692 nan 8.300 nan 0.000 0.462 112 G N 1.567 110.268 108.800 -0.164 0.000 2.495 112 G HA2 0.448 4.408 3.960 0.000 0.000 0.294 112 G HA3 0.448 4.408 3.960 0.000 0.000 0.294 112 G C -2.706 172.510 174.900 0.528 0.000 1.397 112 G CA -0.714 44.545 45.100 0.266 0.000 0.790 112 G HN 0.416 nan 8.290 nan 0.000 0.486 113 Y N 1.574 122.105 120.300 0.385 0.000 2.386 113 Y HA 0.596 5.146 4.550 0.000 0.000 0.334 113 Y C -2.212 173.713 175.900 0.042 0.000 1.002 113 Y CA -1.698 56.534 58.100 0.221 0.000 1.068 113 Y CB 3.030 41.542 38.460 0.086 0.000 1.203 113 Y HN 0.494 nan 8.280 nan 0.000 0.443 114 P HA 0.440 nan 4.420 nan 0.000 0.272 114 P C -0.522 176.581 177.300 -0.329 0.000 1.240 114 P CA 0.138 62.675 63.100 -0.938 0.000 0.791 114 P CB 1.652 32.610 31.700 -1.237 0.000 0.978 115 G N -1.027 107.595 108.800 -0.296 0.000 2.559 115 G HA2 0.444 4.404 3.960 0.000 0.000 0.291 115 G HA3 0.444 4.404 3.960 0.000 0.000 0.291 115 G C 0.662 175.509 174.900 -0.089 0.000 1.424 115 G CA -0.104 44.931 45.100 -0.108 0.000 0.786 115 G HN 0.472 nan 8.290 nan 0.000 0.485 116 G N 0.237 109.016 108.800 -0.035 0.000 2.480 116 G HA2 0.108 4.068 3.960 0.000 0.000 0.216 116 G HA3 0.108 4.068 3.960 0.000 0.000 0.216 116 G C 2.084 176.982 174.900 -0.003 0.000 1.200 116 G CA 2.191 47.289 45.100 -0.002 0.000 0.782 116 G HN 1.546 nan 8.290 nan 0.000 0.554 117 A N -0.005 122.809 122.820 -0.010 0.000 1.978 117 A HA 0.033 4.353 4.320 0.000 0.000 0.220 117 A C 2.169 179.755 177.584 0.003 0.000 1.170 117 A CA 1.528 53.562 52.037 -0.006 0.000 0.636 117 A CB -0.235 18.750 19.000 -0.025 0.000 0.810 117 A HN 0.437 nan 8.150 nan 0.000 0.448 118 I N -0.642 119.939 120.570 0.019 0.000 3.875 118 I HA 0.181 4.351 4.170 0.000 0.000 0.329 118 I C 1.489 177.680 176.117 0.123 0.000 1.295 118 I CA -0.017 61.324 61.300 0.069 0.000 1.129 118 I CB -0.254 37.838 38.000 0.153 0.000 1.008 118 I HN 0.254 nan 8.210 nan 0.000 0.413 119 L N 1.260 122.509 121.223 0.043 0.000 2.042 119 L HA -0.135 4.205 4.340 0.000 0.000 0.210 119 L C -0.304 176.593 176.870 0.045 0.000 1.076 119 L CA 1.560 56.422 54.840 0.036 0.000 0.749 119 L CB -1.825 40.222 42.059 -0.019 0.000 0.893 119 L HN 0.235 nan 8.230 nan 0.000 0.432 120 P HA -0.151 nan 4.420 nan 0.000 0.217 120 P C 1.826 179.106 177.300 -0.033 0.000 1.148 120 P CA 1.184 64.276 63.100 -0.013 0.000 0.828 120 P CB 0.082 31.769 31.700 -0.022 0.000 0.783 121 V N -2.173 117.701 119.914 -0.067 0.000 2.379 121 V HA -0.221 3.899 4.120 0.000 0.000 0.245 121 V C 2.086 178.084 176.094 -0.160 0.000 1.044 121 V CA 1.597 63.780 62.300 -0.195 0.000 1.036 121 V CB -1.390 30.163 31.823 -0.450 0.000 0.664 121 V HN 0.033 nan 8.190 nan 0.000 0.453 122 Y N 0.813 121.038 120.300 -0.126 0.000 2.224 122 Y HA -0.241 4.309 4.550 0.000 0.000 0.289 122 Y C 2.426 178.277 175.900 -0.083 0.000 1.146 122 Y CA 2.029 60.060 58.100 -0.116 0.000 1.182 122 Y CB -0.395 37.978 38.460 -0.144 0.000 0.983 122 Y HN 0.366 nan 8.280 nan 0.000 0.524 123 D N -0.483 119.952 120.400 0.057 0.000 2.178 123 D HA -0.155 4.485 4.640 0.000 0.000 0.201 123 D C 2.072 178.386 176.300 0.023 0.000 0.980 123 D CA 1.182 55.183 54.000 0.001 0.000 0.842 123 D CB -0.106 40.677 40.800 -0.027 0.000 0.948 123 D HN 0.262 nan 8.370 nan 0.000 0.472 124 A N 0.204 123.029 122.820 0.008 0.000 2.067 124 A HA 0.066 4.386 4.320 0.000 0.000 0.217 124 A C 2.120 179.719 177.584 0.024 0.000 1.156 124 A CA 0.852 52.897 52.037 0.013 0.000 0.683 124 A CB -0.673 18.331 19.000 0.008 0.000 0.808 124 A HN 0.528 nan 8.150 nan 0.000 0.455 125 I N -4.245 116.336 120.570 0.018 0.000 3.928 125 I HA 0.197 4.367 4.170 0.000 0.000 0.335 125 I C 0.684 176.771 176.117 -0.050 0.000 1.325 125 I CA -0.440 60.866 61.300 0.010 0.000 1.107 125 I CB -0.472 37.606 38.000 0.129 0.000 1.014 125 I HN 0.257 nan 8.210 nan 0.000 0.400 126 H N 3.705 122.712 119.070 -0.105 0.000 3.046 126 H HA -0.008 4.548 4.556 0.000 0.000 0.303 126 H C 0.175 175.433 175.328 -0.116 0.000 1.002 126 H CA 1.113 57.097 56.048 -0.106 0.000 1.460 126 H CB 0.273 29.993 29.762 -0.070 0.000 1.493 126 H HN 0.547 nan 8.280 nan 0.000 0.559 127 N N 2.166 120.574 118.700 -0.486 0.000 2.713 127 N HA -0.270 4.470 4.740 0.000 0.000 0.251 127 N C -0.331 175.004 175.510 -0.291 0.000 1.117 127 N CA 0.571 53.370 53.050 -0.419 0.000 0.770 127 N CB -0.654 37.529 38.487 -0.507 0.000 1.137 127 N HN 0.432 nan 8.380 nan 0.000 0.566 128 S N -0.081 115.436 115.700 -0.305 0.000 2.549 128 S HA 0.257 4.727 4.470 0.000 0.000 0.286 128 S C 1.098 175.459 174.600 -0.398 0.000 1.314 128 S CA 0.805 58.787 58.200 -0.363 0.000 1.062 128 S CB 0.753 63.638 63.200 -0.525 0.000 0.865 128 S HN 0.334 nan 8.310 nan 0.000 0.498 129 D N 3.289 123.506 120.400 -0.305 0.000 2.349 129 D HA 0.189 4.829 4.640 0.000 0.000 0.214 129 D C 1.532 177.684 176.300 -0.247 0.000 1.063 129 D CA 0.114 53.974 54.000 -0.232 0.000 0.847 129 D CB -0.204 40.510 40.800 -0.143 0.000 0.933 129 D HN 0.709 nan 8.370 nan 0.000 0.513 130 K N -0.863 119.314 120.400 -0.372 0.000 2.283 130 K HA 0.158 4.478 4.320 0.000 0.000 0.202 130 K C -0.225 176.320 176.600 -0.093 0.000 1.048 130 K CA 0.694 56.841 56.287 -0.234 0.000 0.948 130 K CB -0.130 32.266 32.500 -0.173 0.000 0.742 130 K HN 0.679 nan 8.250 nan 0.000 0.458 131 F N -2.520 117.416 119.950 -0.024 0.000 2.769 131 F HA 0.331 4.858 4.527 0.000 0.000 0.313 131 F C -1.453 174.336 175.800 -0.018 0.000 1.146 131 F CA -1.755 56.229 58.000 -0.026 0.000 0.934 131 F CB 0.298 39.277 39.000 -0.035 0.000 1.283 131 F HN -0.313 nan 8.300 nan 0.000 0.443 132 N N 1.375 120.208 118.700 0.221 0.000 2.488 132 N HA 0.306 5.046 4.740 0.000 0.000 0.274 132 N C -1.600 174.007 175.510 0.163 0.000 1.111 132 N CA -0.024 53.099 53.050 0.122 0.000 0.974 132 N CB 1.431 39.931 38.487 0.023 0.000 1.089 132 N HN 0.659 nan 8.380 nan 0.000 0.465 133 F N 2.021 121.994 119.950 0.038 0.000 2.436 133 F HA 0.372 4.899 4.527 0.000 0.000 0.340 133 F C -0.495 175.262 175.800 -0.071 0.000 1.113 133 F CA -0.754 57.250 58.000 0.007 0.000 1.022 133 F CB 1.002 40.061 39.000 0.099 0.000 1.128 133 F HN 0.073 nan 8.300 nan 0.000 0.466 134 V N 7.453 126.981 119.914 -0.644 0.000 2.384 134 V HA 0.352 4.472 4.120 0.000 0.000 0.287 134 V C -0.787 175.187 176.094 -0.201 0.000 1.020 134 V CA -0.793 61.323 62.300 -0.307 0.000 0.850 134 V CB 1.408 33.031 31.823 -0.333 0.000 0.987 134 V HN 0.622 nan 8.190 nan 0.000 0.436 135 L N 9.711 131.001 121.223 0.112 0.000 2.282 135 L HA 0.757 5.097 4.340 0.000 0.000 0.288 135 L C -2.184 174.819 176.870 0.222 0.000 1.033 135 L CA -1.095 53.886 54.840 0.235 0.000 0.807 135 L CB 1.730 43.959 42.059 0.284 0.000 1.209 135 L HN 0.459 nan 8.230 nan 0.000 0.423 136 P HA 0.387 nan 4.420 nan 0.000 0.317 136 P C -0.773 176.719 177.300 0.320 0.000 1.301 136 P CA -0.458 62.791 63.100 0.248 0.000 0.799 136 P CB 1.502 33.330 31.700 0.213 0.000 1.344 137 K N -1.759 118.772 120.400 0.219 0.000 2.354 137 K HA 0.131 4.451 4.320 0.000 0.000 0.194 137 K C 0.459 177.074 176.600 0.024 0.000 1.045 137 K CA 0.698 57.101 56.287 0.193 0.000 1.026 137 K CB -0.049 32.531 32.500 0.133 0.000 0.866 137 K HN 0.567 nan 8.250 nan 0.000 0.530 138 H N 0.130 119.146 119.070 -0.091 0.000 2.865 138 H HA 0.170 4.726 4.556 0.000 0.000 0.362 138 H C -0.038 175.208 175.328 -0.136 0.000 1.114 138 H CA -0.086 55.846 56.048 -0.193 0.000 1.208 138 H CB 1.873 31.564 29.762 -0.117 0.000 1.727 138 H HN -0.214 nan 8.280 nan 0.000 0.534 139 E N 2.148 122.276 120.200 -0.121 0.000 2.171 139 E HA -0.207 4.143 4.350 0.000 0.000 0.197 139 E C 1.825 178.484 176.600 0.098 0.000 0.997 139 E CA 1.394 57.801 56.400 0.012 0.000 0.810 139 E CB 0.175 29.827 29.700 -0.080 0.000 0.738 139 E HN 0.602 nan 8.360 nan 0.000 0.467 140 Q N -0.246 119.726 119.800 0.286 0.000 2.135 140 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 140 Q C 2.136 178.058 176.000 -0.130 0.000 0.981 140 Q CA 1.519 57.292 55.803 -0.050 0.000 0.856 140 Q CB -0.285 28.348 28.738 -0.175 0.000 0.902 140 Q HN 0.411 nan 8.270 nan 0.000 0.425 141 G N 0.181 108.990 108.800 0.015 0.000 2.418 141 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 141 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 141 G C 1.432 176.328 174.900 -0.006 0.000 1.158 141 G CA 0.834 45.949 45.100 0.026 0.000 0.771 141 G HN 0.478 nan 8.290 nan 0.000 0.545 142 A N 0.928 123.763 122.820 0.025 0.000 1.902 142 A HA 0.138 4.458 4.320 0.000 0.000 0.217 142 A C 2.695 180.206 177.584 -0.121 0.000 1.181 142 A CA 2.158 54.210 52.037 0.026 0.000 0.623 142 A CB -1.097 17.970 19.000 0.112 0.000 0.818 142 A HN 0.515 nan 8.150 nan 0.000 0.443 143 G N -1.234 107.484 108.800 -0.136 0.000 2.433 143 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 143 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 143 G C 1.483 176.268 174.900 -0.191 0.000 1.186 143 G CA 1.122 46.108 45.100 -0.192 0.000 0.779 143 G HN 0.637 nan 8.290 nan 0.000 0.543 144 H N 0.019 119.027 119.070 -0.103 0.000 2.423 144 H HA 0.109 4.665 4.556 0.000 0.000 0.297 144 H C 2.676 177.823 175.328 -0.301 0.000 1.075 144 H CA 1.006 56.970 56.048 -0.140 0.000 1.342 144 H CB -0.259 29.423 29.762 -0.133 0.000 1.395 144 H HN 0.347 nan 8.280 nan 0.000 0.530 145 M N -0.182 119.267 119.600 -0.252 0.000 2.132 145 M HA -0.073 4.407 4.480 0.000 0.000 0.263 145 M C 2.669 178.468 176.300 -0.835 0.000 1.065 145 M CA 1.352 56.368 55.300 -0.473 0.000 1.122 145 M CB -0.111 32.206 32.600 -0.471 0.000 1.365 145 M HN 0.231 nan 8.290 nan 0.000 0.411 146 A N 0.333 122.586 122.820 -0.944 0.000 1.933 146 A HA -0.169 4.151 4.320 0.000 0.000 0.218 146 A C 1.916 179.381 177.584 -0.199 0.000 1.175 146 A CA 1.630 53.229 52.037 -0.730 0.000 0.628 146 A CB -0.620 18.161 19.000 -0.364 0.000 0.814 146 A HN 0.530 nan 8.150 nan 0.000 0.444 147 E N -0.671 119.459 120.200 -0.117 0.000 2.051 147 E HA -0.116 4.234 4.350 0.000 0.000 0.192 147 E C 2.189 178.799 176.600 0.017 0.000 0.991 147 E CA 0.820 57.239 56.400 0.032 0.000 0.799 147 E CB -0.402 29.414 29.700 0.194 0.000 0.748 147 E HN 0.599 nan 8.360 nan 0.000 0.449 148 G N 0.625 109.372 108.800 -0.088 0.000 2.422 148 G HA2 -0.309 3.651 3.960 0.000 0.000 0.218 148 G HA3 -0.309 3.651 3.960 0.000 0.000 0.218 148 G C 1.422 176.323 174.900 0.001 0.000 1.146 148 G CA 0.889 45.935 45.100 -0.089 0.000 0.769 148 G HN 0.294 nan 8.290 nan 0.000 0.547 149 Y N 1.923 122.161 120.300 -0.103 0.000 2.145 149 Y HA -0.005 4.545 4.550 0.000 0.000 0.286 149 Y C 2.888 178.805 175.900 0.028 0.000 1.145 149 Y CA 1.668 59.778 58.100 0.017 0.000 1.148 149 Y CB -0.288 38.242 38.460 0.116 0.000 0.981 149 Y HN 0.242 nan 8.280 nan 0.000 0.507 150 A N 0.676 123.575 122.820 0.131 0.000 1.898 150 A HA -0.145 4.175 4.320 0.000 0.000 0.216 150 A C 2.356 179.915 177.584 -0.042 0.000 1.181 150 A CA 2.222 54.288 52.037 0.048 0.000 0.620 150 A CB -1.279 17.788 19.000 0.111 0.000 0.819 150 A HN 0.512 nan 8.150 nan 0.000 0.442 151 R N -0.683 119.811 120.500 -0.010 0.000 2.148 151 R HA 0.298 4.638 4.340 0.000 0.000 0.227 151 R C 2.280 178.570 176.300 -0.017 0.000 1.103 151 R CA 1.939 58.042 56.100 0.005 0.000 0.983 151 R CB -1.385 28.935 30.300 0.034 0.000 0.874 151 R HN 0.844 nan 8.270 nan 0.000 0.451 152 A N 0.400 123.178 122.820 -0.071 0.000 2.044 152 A HA 0.064 4.384 4.320 0.000 0.000 0.213 152 A C 2.385 179.860 177.584 -0.181 0.000 1.169 152 A CA 1.586 53.582 52.037 -0.069 0.000 0.724 152 A CB 0.002 18.978 19.000 -0.040 0.000 0.840 152 A HN 0.707 nan 8.150 nan 0.000 0.463 153 S N -2.743 112.775 115.700 -0.303 0.000 2.497 153 S HA 0.406 4.876 4.470 0.000 0.000 0.221 153 S C 1.512 175.947 174.600 -0.275 0.000 1.037 153 S CA 1.212 59.211 58.200 -0.336 0.000 0.920 153 S CB 0.131 63.002 63.200 -0.549 0.000 0.800 153 S HN 1.797 nan 8.310 nan 0.000 0.505 154 G N 1.251 109.907 108.800 -0.239 0.000 2.175 154 G HA2 -0.224 3.736 3.960 0.000 0.000 0.244 154 G HA3 -0.224 3.736 3.960 0.000 0.000 0.244 154 G C -0.102 174.751 174.900 -0.078 0.000 0.982 154 G CA 0.243 45.236 45.100 -0.178 0.000 0.641 154 G HN 0.631 nan 8.290 nan 0.000 0.527 155 K N 1.413 121.780 120.400 -0.056 0.000 2.123 155 K HA 0.560 4.880 4.320 0.000 0.000 0.248 155 K C -2.471 174.227 176.600 0.163 0.000 0.969 155 K CA -1.981 54.350 56.287 0.075 0.000 0.882 155 K CB 1.889 34.473 32.500 0.140 0.000 1.080 155 K HN 0.053 nan 8.250 nan 0.000 0.441 156 P HA 0.013 nan 4.420 nan 0.000 0.275 156 P C -0.357 177.101 177.300 0.264 0.000 1.227 156 P CA -0.246 62.965 63.100 0.185 0.000 0.781 156 P CB 0.741 32.528 31.700 0.144 0.000 0.906 157 G N 2.080 111.001 108.800 0.200 0.000 2.370 157 G HA2 0.422 4.382 3.960 0.000 0.000 0.272 157 G HA3 0.422 4.382 3.960 0.000 0.000 0.272 157 G C -0.553 174.412 174.900 0.108 0.000 1.208 157 G CA -0.347 44.871 45.100 0.198 0.000 0.856 157 G HN 0.358 nan 8.290 nan 0.000 0.500 158 V N 2.802 122.809 119.914 0.156 0.000 2.417 158 V HA 0.453 4.573 4.120 0.000 0.000 0.291 158 V C -0.095 176.121 176.094 0.203 0.000 1.024 158 V CA -0.609 61.790 62.300 0.166 0.000 0.861 158 V CB 1.569 33.516 31.823 0.207 0.000 0.985 158 V HN 0.527 nan 8.190 nan 0.000 0.436 159 V N 5.826 125.853 119.914 0.188 0.000 2.604 159 V HA 0.563 4.683 4.120 0.000 0.000 0.305 159 V C -0.732 175.523 176.094 0.267 0.000 1.043 159 V CA -0.662 61.746 62.300 0.181 0.000 0.888 159 V CB 1.932 33.807 31.823 0.086 0.000 0.995 159 V HN 0.656 nan 8.190 nan 0.000 0.429 160 L N 6.872 128.242 121.223 0.246 0.000 2.427 160 L HA 0.787 5.127 4.340 0.000 0.000 0.264 160 L C -0.478 176.583 176.870 0.319 0.000 0.989 160 L CA -0.095 54.904 54.840 0.266 0.000 0.865 160 L CB 1.464 43.628 42.059 0.176 0.000 1.209 160 L HN 0.603 nan 8.230 nan 0.000 0.430 161 V N 0.760 120.822 119.914 0.246 0.000 3.155 161 V HA 0.737 4.857 4.120 0.000 0.000 0.313 161 V C 0.120 176.309 176.094 0.158 0.000 1.162 161 V CA -0.440 61.994 62.300 0.223 0.000 1.048 161 V CB 1.584 33.487 31.823 0.132 0.000 1.092 161 V HN 0.635 nan 8.190 nan 0.000 0.447 162 T N 0.808 115.423 114.554 0.102 0.000 2.814 162 T HA 0.476 4.826 4.350 0.000 0.000 0.284 162 T C 0.673 175.366 174.700 -0.010 0.000 0.998 162 T CA 0.411 62.533 62.100 0.037 0.000 0.935 162 T CB 0.961 69.826 68.868 -0.003 0.000 1.167 162 T HN 1.603 nan 8.240 nan 0.000 0.545 163 S N -0.091 115.581 115.700 -0.047 0.000 2.633 163 S HA 0.560 5.030 4.470 0.000 0.000 0.257 163 S C 1.368 175.897 174.600 -0.118 0.000 1.265 163 S CA -0.009 58.145 58.200 -0.077 0.000 0.980 163 S CB -0.272 62.874 63.200 -0.090 0.000 1.017 163 S HN 1.598 nan 8.310 nan 0.000 0.577 164 G N 1.539 110.263 108.800 -0.126 0.000 2.665 164 G HA2 -0.304 3.656 3.960 0.000 0.000 0.326 164 G HA3 -0.304 3.656 3.960 0.000 0.000 0.326 164 G C -0.917 173.909 174.900 -0.124 0.000 1.231 164 G CA 0.506 45.520 45.100 -0.144 0.000 0.992 164 G HN 0.757 nan 8.290 nan 0.000 0.549 165 P HA -0.075 nan 4.420 nan 0.000 0.218 165 P C 1.919 179.139 177.300 -0.133 0.000 1.148 165 P CA 2.710 65.732 63.100 -0.130 0.000 0.822 165 P CB -0.726 30.888 31.700 -0.143 0.000 0.784 166 G N 0.415 109.143 108.800 -0.121 0.000 2.422 166 G HA2 -0.177 3.783 3.960 0.000 0.000 0.218 166 G HA3 -0.177 3.783 3.960 0.000 0.000 0.218 166 G C 1.807 176.667 174.900 -0.067 0.000 1.146 166 G CA 0.992 46.035 45.100 -0.096 0.000 0.769 166 G HN 0.387 nan 8.290 nan 0.000 0.547 167 A N 0.824 123.606 122.820 -0.063 0.000 1.898 167 A HA 0.037 4.357 4.320 0.000 0.000 0.214 167 A C 2.648 180.195 177.584 -0.061 0.000 1.183 167 A CA 2.451 54.456 52.037 -0.054 0.000 0.622 167 A CB -1.051 17.915 19.000 -0.057 0.000 0.824 167 A HN 0.493 nan 8.150 nan 0.000 0.444 168 T N -1.797 112.716 114.554 -0.068 0.000 2.881 168 T HA -0.155 4.195 4.350 0.000 0.000 0.270 168 T C 1.430 176.102 174.700 -0.046 0.000 1.068 168 T CA 1.649 63.712 62.100 -0.060 0.000 1.131 168 T CB -0.830 68.001 68.868 -0.061 0.000 0.871 168 T HN 0.584 nan 8.240 nan 0.000 0.479 169 N N 1.027 119.698 118.700 -0.048 0.000 2.520 169 N HA 0.014 4.754 4.740 0.000 0.000 0.185 169 N C 1.486 176.995 175.510 -0.001 0.000 1.068 169 N CA 0.867 53.917 53.050 -0.000 0.000 0.911 169 N CB 0.010 38.451 38.487 -0.077 0.000 0.961 169 N HN 0.544 nan 8.380 nan 0.000 0.446 170 V N -3.429 116.460 119.914 -0.041 0.000 3.483 170 V HA 0.187 4.307 4.120 0.000 0.000 0.301 170 V C 1.590 177.639 176.094 -0.075 0.000 1.389 170 V CA -0.023 62.237 62.300 -0.066 0.000 1.101 170 V CB 0.033 31.823 31.823 -0.055 0.000 0.971 170 V HN -0.105 nan 8.190 nan 0.000 0.434 171 V N 1.350 121.226 119.914 -0.063 0.000 2.295 171 V HA -0.230 3.890 4.120 0.000 0.000 0.246 171 V C 2.783 178.843 176.094 -0.056 0.000 1.049 171 V CA 3.029 65.290 62.300 -0.064 0.000 1.024 171 V CB -1.107 30.679 31.823 -0.061 0.000 0.648 171 V HN 0.658 nan 8.190 nan 0.000 0.447 172 T N 0.231 114.756 114.554 -0.049 0.000 2.684 172 T HA -0.119 4.231 4.350 0.000 0.000 0.267 172 T C -0.027 174.671 174.700 -0.004 0.000 1.036 172 T CA 2.107 64.196 62.100 -0.018 0.000 1.148 172 T CB -1.143 67.727 68.868 0.004 0.000 0.863 172 T HN 0.428 nan 8.240 nan 0.000 0.436 173 P HA 0.013 nan 4.420 nan 0.000 0.217 173 P C 1.595 178.895 177.300 -0.000 0.000 1.150 173 P CA 1.108 64.148 63.100 -0.100 0.000 0.832 173 P CB -0.115 31.402 31.700 -0.304 0.000 0.787 174 M N -1.276 118.309 119.600 -0.025 0.000 2.099 174 M HA -0.096 4.384 4.480 0.000 0.000 0.262 174 M C 2.173 178.501 176.300 0.047 0.000 1.067 174 M CA 1.918 57.218 55.300 -0.000 0.000 1.124 174 M CB -0.917 31.658 32.600 -0.042 0.000 1.353 174 M HN -0.101 nan 8.290 nan 0.000 0.410 175 A N 0.047 122.875 122.820 0.014 0.000 1.972 175 A HA -0.224 4.097 4.320 0.000 0.000 0.219 175 A C 1.918 179.558 177.584 0.093 0.000 1.169 175 A CA 1.969 54.027 52.037 0.035 0.000 0.635 175 A CB -0.866 18.125 19.000 -0.014 0.000 0.810 175 A HN 0.552 nan 8.150 nan 0.000 0.446 176 D N -0.034 120.406 120.400 0.067 0.000 2.097 176 D HA -0.058 4.582 4.640 0.000 0.000 0.197 176 D C 2.107 178.428 176.300 0.036 0.000 0.984 176 D CA 1.312 55.335 54.000 0.038 0.000 0.826 176 D CB -0.043 40.804 40.800 0.077 0.000 0.973 176 D HN 0.335 nan 8.370 nan 0.000 0.460 177 A N 0.092 122.957 122.820 0.076 0.000 1.969 177 A HA -0.127 4.193 4.320 0.000 0.000 0.218 177 A C 2.029 179.655 177.584 0.070 0.000 1.169 177 A CA 0.672 52.746 52.037 0.062 0.000 0.635 177 A CB -0.960 18.080 19.000 0.066 0.000 0.810 177 A HN 0.365 nan 8.150 nan 0.000 0.445 178 F N 0.872 120.806 119.950 -0.027 0.000 2.146 178 F HA -0.032 4.495 4.527 0.000 0.000 0.298 178 F C 2.487 178.271 175.800 -0.028 0.000 1.096 178 F CA 1.107 59.093 58.000 -0.024 0.000 1.275 178 F CB -0.282 38.703 39.000 -0.024 0.000 1.008 178 F HN 0.244 nan 8.300 nan 0.000 0.480 179 A N -0.633 122.237 122.820 0.083 0.000 1.898 179 A HA -0.140 4.180 4.320 0.000 0.000 0.216 179 A C 1.600 179.130 177.584 -0.091 0.000 1.181 179 A CA 1.865 53.896 52.037 -0.011 0.000 0.620 179 A CB -0.673 18.335 19.000 0.014 0.000 0.819 179 A HN 0.376 nan 8.150 nan 0.000 0.442 180 D N -0.983 119.365 120.400 -0.087 0.000 2.340 180 D HA 0.295 4.935 4.640 0.000 0.000 0.217 180 D C 0.988 177.233 176.300 -0.091 0.000 1.081 180 D CA 0.852 54.792 54.000 -0.099 0.000 0.842 180 D CB -0.070 40.661 40.800 -0.116 0.000 0.934 180 D HN 0.516 nan 8.370 nan 0.000 0.511 181 G N 1.735 110.465 108.800 -0.117 0.000 2.350 181 G HA2 -0.285 3.675 3.960 0.000 0.000 0.298 181 G HA3 -0.285 3.675 3.960 0.000 0.000 0.298 181 G C 0.107 174.975 174.900 -0.053 0.000 1.037 181 G CA -0.129 44.906 45.100 -0.108 0.000 1.074 181 G HN 0.368 nan 8.290 nan 0.000 0.511 182 I N 1.843 122.395 120.570 -0.030 0.000 2.339 182 I HA 0.290 4.460 4.170 0.000 0.000 0.290 182 I C -1.693 174.428 176.117 0.007 0.000 0.994 182 I CA -2.608 58.693 61.300 0.001 0.000 1.191 182 I CB 2.041 40.055 38.000 0.023 0.000 1.343 182 I HN -0.004 nan 8.210 nan 0.000 0.458 183 P HA 0.203 nan 4.420 nan 0.000 0.271 183 P C -0.593 176.711 177.300 0.006 0.000 1.233 183 P CA 0.137 63.242 63.100 0.008 0.000 0.764 183 P CB 0.917 32.631 31.700 0.024 0.000 0.825 184 M N 3.407 122.985 119.600 -0.036 0.000 2.365 184 M HA 0.437 4.917 4.480 0.000 0.000 0.287 184 M C -1.575 174.622 176.300 -0.172 0.000 1.154 184 M CA -0.854 54.406 55.300 -0.066 0.000 0.941 184 M CB 1.772 34.353 32.600 -0.031 0.000 1.704 184 M HN 0.021 nan 8.290 nan 0.000 0.479 185 V N 3.233 122.985 119.914 -0.270 0.000 2.326 185 V HA 0.629 4.749 4.120 0.000 0.000 0.281 185 V C -0.334 175.513 176.094 -0.413 0.000 1.015 185 V CA -1.028 60.982 62.300 -0.484 0.000 0.823 185 V CB 1.059 32.336 31.823 -0.911 0.000 1.009 185 V HN 0.869 nan 8.190 nan 0.000 0.436 186 V N 5.868 125.557 119.914 -0.374 0.000 2.383 186 V HA 0.460 4.580 4.120 0.000 0.000 0.275 186 V C -0.415 175.482 176.094 -0.329 0.000 1.036 186 V CA -0.278 61.880 62.300 -0.235 0.000 0.889 186 V CB 1.044 32.788 31.823 -0.130 0.000 0.985 186 V HN 0.650 nan 8.190 nan 0.000 0.459 187 F N 3.187 123.160 119.950 0.038 0.000 2.411 187 F HA 0.537 5.064 4.527 0.000 0.000 0.352 187 F C 0.754 176.559 175.800 0.007 0.000 1.123 187 F CA -0.496 57.529 58.000 0.042 0.000 1.044 187 F CB 1.878 40.931 39.000 0.089 0.000 1.135 187 F HN 0.504 nan 8.300 nan 0.000 0.461 188 T N 0.294 114.931 114.554 0.139 0.000 2.807 188 T HA 0.683 5.033 4.350 0.000 0.000 0.279 188 T C 0.215 174.947 174.700 0.053 0.000 0.993 188 T CA -0.952 61.191 62.100 0.071 0.000 0.970 188 T CB 1.509 70.382 68.868 0.008 0.000 0.950 188 T HN 0.740 nan 8.240 nan 0.000 0.441 189 G N 1.286 110.110 108.800 0.041 0.000 2.544 189 G HA2 0.480 4.440 3.960 0.000 0.000 0.242 189 G HA3 0.480 4.440 3.960 0.000 0.000 0.242 189 G C -0.600 174.296 174.900 -0.007 0.000 1.247 189 G CA -0.241 44.868 45.100 0.016 0.000 0.840 189 G HN 0.842 nan 8.290 nan 0.000 0.578 190 Q N -0.479 119.314 119.800 -0.011 0.000 2.416 190 Q HA 0.486 4.827 4.340 0.000 0.000 0.281 190 Q C -0.103 175.886 176.000 -0.019 0.000 1.067 190 Q CA -0.755 55.034 55.803 -0.023 0.000 0.809 190 Q CB 1.987 30.714 28.738 -0.019 0.000 1.418 190 Q HN 0.950 nan 8.270 nan 0.000 0.411 191 V N 0.464 120.364 119.914 -0.024 0.000 3.096 191 V HA 0.522 4.642 4.120 0.000 0.000 0.306 191 V C -2.188 173.906 176.094 0.000 0.000 1.088 191 V CA -1.362 60.933 62.300 -0.007 0.000 1.129 191 V CB -0.281 31.540 31.823 -0.004 0.000 1.014 191 V HN 0.789 nan 8.190 nan 0.000 0.486 192 P HA 0.047 nan 4.420 nan 0.000 0.266 192 P C 1.248 178.551 177.300 0.006 0.000 1.186 192 P CA 1.033 64.138 63.100 0.009 0.000 0.767 192 P CB 0.288 31.995 31.700 0.013 0.000 0.820 193 T N -1.319 113.239 114.554 0.006 0.000 2.737 193 T HA -0.213 4.137 4.350 0.000 0.000 0.269 193 T C 1.653 176.356 174.700 0.005 0.000 1.040 193 T CA 1.820 63.923 62.100 0.004 0.000 1.142 193 T CB -1.230 67.642 68.868 0.007 0.000 0.861 193 T HN 0.462 nan 8.240 nan 0.000 0.456 194 S N 1.482 117.186 115.700 0.007 0.000 2.481 194 S HA 0.353 4.823 4.470 0.000 0.000 0.231 194 S C 2.110 176.714 174.600 0.007 0.000 0.996 194 S CA 0.359 58.562 58.200 0.007 0.000 0.942 194 S CB -0.448 62.757 63.200 0.007 0.000 0.768 194 S HN 0.766 nan 8.310 nan 0.000 0.520 195 A N 0.821 123.646 122.820 0.009 0.000 2.197 195 A HA 0.488 4.808 4.320 0.000 0.000 0.210 195 A C 0.781 178.369 177.584 0.006 0.000 1.180 195 A CA -0.431 51.613 52.037 0.012 0.000 0.846 195 A CB -0.269 18.743 19.000 0.020 0.000 0.884 195 A HN 0.529 nan 8.150 nan 0.000 0.487 196 I N 0.903 121.474 120.570 0.000 0.000 2.742 196 I HA 0.188 4.358 4.170 0.000 0.000 0.287 196 I C 1.493 177.606 176.117 -0.007 0.000 1.186 196 I CA 1.492 62.788 61.300 -0.007 0.000 1.417 196 I CB 0.131 38.125 38.000 -0.010 0.000 1.377 196 I HN 0.482 nan 8.210 nan 0.000 0.556 197 G N 4.056 112.850 108.800 -0.009 0.000 2.176 197 G HA2 -0.269 3.691 3.960 0.000 0.000 0.232 197 G HA3 -0.269 3.691 3.960 0.000 0.000 0.232 197 G C 0.648 175.546 174.900 -0.004 0.000 0.986 197 G CA 0.326 45.421 45.100 -0.009 0.000 0.643 197 G HN 0.728 nan 8.290 nan 0.000 0.522 198 T N -1.741 112.814 114.554 0.001 0.000 3.176 198 T HA 0.406 4.756 4.350 0.000 0.000 0.263 198 T C 0.580 175.286 174.700 0.010 0.000 1.021 198 T CA 0.824 62.928 62.100 0.006 0.000 0.905 198 T CB 0.079 68.953 68.868 0.010 0.000 1.057 198 T HN 0.474 nan 8.240 nan 0.000 0.558 199 D N 1.157 121.560 120.400 0.006 0.000 2.699 199 D HA -0.130 4.510 4.640 0.000 0.000 0.239 199 D C 0.499 176.816 176.300 0.028 0.000 1.136 199 D CA 0.851 54.857 54.000 0.009 0.000 0.668 199 D CB -1.564 39.242 40.800 0.010 0.000 1.060 199 D HN 0.837 nan 8.370 nan 0.000 0.429 200 A N 0.006 122.844 122.820 0.029 0.000 2.386 200 A HA 0.361 4.681 4.320 0.000 0.000 0.246 200 A C 0.387 178.030 177.584 0.097 0.000 1.089 200 A CA -0.343 51.732 52.037 0.063 0.000 0.790 200 A CB 0.243 19.272 19.000 0.048 0.000 1.042 200 A HN 0.219 nan 8.150 nan 0.000 0.497 201 F N 0.878 120.818 119.950 -0.016 0.000 2.602 201 F HA 0.164 4.691 4.527 0.000 0.000 0.385 201 F C 1.170 176.959 175.800 -0.019 0.000 1.063 201 F CA 0.985 58.974 58.000 -0.017 0.000 1.233 201 F CB -0.379 38.611 39.000 -0.017 0.000 1.067 201 F HN 0.778 nan 8.300 nan 0.000 0.564 202 Q N 2.154 121.577 119.800 -0.627 0.000 2.475 202 Q HA -0.298 4.042 4.340 0.000 0.000 0.280 202 Q C -0.273 175.564 176.000 -0.272 0.000 1.234 202 Q CA 1.183 56.642 55.803 -0.575 0.000 0.873 202 Q CB -1.269 26.949 28.738 -0.867 0.000 1.256 202 Q HN 0.846 nan 8.270 nan 0.000 0.475 203 E N -0.224 119.881 120.200 -0.157 0.000 2.204 203 E HA 0.711 5.061 4.350 0.000 0.000 0.276 203 E C -0.943 175.608 176.600 -0.082 0.000 0.974 203 E CA 0.038 56.382 56.400 -0.094 0.000 0.815 203 E CB 1.293 30.963 29.700 -0.049 0.000 1.119 203 E HN 0.305 nan 8.360 nan 0.000 0.393 204 A N 3.496 126.272 122.820 -0.074 0.000 2.549 204 A HA 0.228 4.548 4.320 0.000 0.000 0.297 204 A C -1.152 176.396 177.584 -0.061 0.000 1.061 204 A CA -0.776 51.221 52.037 -0.067 0.000 0.690 204 A CB 1.651 20.606 19.000 -0.075 0.000 1.287 204 A HN 0.664 nan 8.150 nan 0.000 0.402 205 D N 2.586 122.952 120.400 -0.057 0.000 2.608 205 D HA 0.222 4.862 4.640 0.000 0.000 0.224 205 D C 1.191 177.449 176.300 -0.069 0.000 1.123 205 D CA 0.114 54.079 54.000 -0.059 0.000 1.030 205 D CB 0.038 40.806 40.800 -0.053 0.000 1.093 205 D HN 0.153 nan 8.370 nan 0.000 0.497 206 V N 2.077 121.947 119.914 -0.073 0.000 2.407 206 V HA -0.226 3.894 4.120 0.000 0.000 0.248 206 V C 2.513 178.547 176.094 -0.099 0.000 1.055 206 V CA 1.014 63.265 62.300 -0.082 0.000 1.049 206 V CB -0.230 31.546 31.823 -0.077 0.000 0.662 206 V HN 0.373 nan 8.190 nan 0.000 0.455 207 V N 0.854 120.706 119.914 -0.103 0.000 2.427 207 V HA -0.145 3.975 4.120 0.000 0.000 0.248 207 V C 2.535 178.558 176.094 -0.117 0.000 1.051 207 V CA 2.160 64.383 62.300 -0.128 0.000 1.048 207 V CB -1.134 30.612 31.823 -0.129 0.000 0.666 207 V HN 0.610 nan 8.190 nan 0.000 0.456 208 G N -0.379 108.364 108.800 -0.094 0.000 2.394 208 G HA2 -0.147 3.813 3.960 0.000 0.000 0.214 208 G HA3 -0.147 3.813 3.960 0.000 0.000 0.214 208 G C 1.579 176.425 174.900 -0.090 0.000 1.176 208 G CA 0.726 45.775 45.100 -0.084 0.000 0.786 208 G HN 0.443 nan 8.290 nan 0.000 0.533 209 I N 1.874 122.392 120.570 -0.087 0.000 2.151 209 I HA -0.219 3.951 4.170 0.000 0.000 0.243 209 I C 2.793 178.844 176.117 -0.110 0.000 1.080 209 I CA 1.768 63.014 61.300 -0.089 0.000 1.339 209 I CB -0.174 37.778 38.000 -0.081 0.000 1.039 209 I HN 0.343 nan 8.210 nan 0.000 0.409 210 S N 0.413 116.040 115.700 -0.121 0.000 2.631 210 S HA 0.004 4.474 4.470 0.000 0.000 0.217 210 S C 1.790 176.285 174.600 -0.174 0.000 0.958 210 S CA -0.218 57.894 58.200 -0.146 0.000 0.920 210 S CB -0.296 62.824 63.200 -0.135 0.000 0.776 210 S HN 0.376 nan 8.310 nan 0.000 0.517 211 R N 2.289 122.695 120.500 -0.158 0.000 2.081 211 R HA -0.119 4.221 4.340 0.000 0.000 0.235 211 R C 2.193 178.369 176.300 -0.207 0.000 1.131 211 R CA 2.004 58.012 56.100 -0.154 0.000 0.960 211 R CB -0.624 29.607 30.300 -0.114 0.000 0.856 211 R HN 0.587 nan 8.270 nan 0.000 0.436 212 S N -0.585 114.972 115.700 -0.239 0.000 2.522 212 S HA -0.070 4.400 4.470 0.000 0.000 0.227 212 S C 1.658 175.840 174.600 -0.697 0.000 0.986 212 S CA 0.372 58.369 58.200 -0.339 0.000 0.929 212 S CB -0.319 62.745 63.200 -0.226 0.000 0.769 212 S HN 0.593 nan 8.310 nan 0.000 0.529 213 C N 1.249 120.177 119.300 -0.620 0.000 2.863 213 C HA 0.636 5.096 4.460 0.000 0.000 0.284 213 C C 0.582 175.261 174.990 -0.518 0.000 1.426 213 C CA -0.336 58.204 59.018 -0.797 0.000 1.782 213 C CB -1.617 25.915 27.740 -0.346 0.000 2.554 213 C HN 0.536 nan 8.230 nan 0.000 0.566 214 T N -3.223 111.093 114.554 -0.397 0.000 2.900 214 T HA 0.444 4.794 4.350 0.000 0.000 0.303 214 T C 0.185 175.024 174.700 0.232 0.000 1.142 214 T CA -0.543 61.577 62.100 0.033 0.000 1.007 214 T CB 1.649 70.499 68.868 -0.031 0.000 1.156 214 T HN 0.193 nan 8.240 nan 0.000 0.490 215 K N -0.253 120.358 120.400 0.352 0.000 2.288 215 K HA 0.152 4.472 4.320 0.000 0.000 0.201 215 K C -0.256 176.551 176.600 0.345 0.000 1.048 215 K CA 0.559 57.052 56.287 0.343 0.000 0.956 215 K CB 0.142 32.771 32.500 0.216 0.000 0.746 215 K HN 0.672 nan 8.250 nan 0.000 0.461 216 W N 0.662 121.983 121.300 0.035 0.000 3.338 216 W HA 0.140 4.800 4.660 0.000 0.000 0.299 216 W C -2.303 174.199 176.519 -0.029 0.000 1.226 216 W CA -0.960 56.386 57.345 0.001 0.000 1.183 216 W CB 0.655 30.118 29.460 0.004 0.000 1.360 216 W HN 0.013 nan 8.180 nan 0.000 0.569 217 N N 2.937 121.181 118.700 -0.760 0.000 2.708 217 N HA 0.765 5.505 4.740 0.000 0.000 0.257 217 N C -2.308 172.540 175.510 -1.104 0.000 1.373 217 N CA -0.553 52.019 53.050 -0.797 0.000 0.843 217 N CB 2.227 40.483 38.487 -0.385 0.000 1.503 217 N HN 0.827 nan 8.380 nan 0.000 0.504 218 V N -0.462 118.988 119.914 -0.775 0.000 3.225 218 V HA 0.609 4.729 4.120 0.000 0.000 0.293 218 V C -1.703 174.232 176.094 -0.266 0.000 1.405 218 V CA -0.910 61.064 62.300 -0.543 0.000 1.038 218 V CB 2.151 33.599 31.823 -0.625 0.000 1.123 218 V HN 0.922 nan 8.190 nan 0.000 0.447 219 M N 5.037 124.545 119.600 -0.153 0.000 2.114 219 M HA 0.580 5.060 4.480 0.000 0.000 0.332 219 M C -1.239 175.048 176.300 -0.021 0.000 1.014 219 M CA -0.642 54.615 55.300 -0.073 0.000 0.956 219 M CB 1.446 34.009 32.600 -0.061 0.000 1.551 219 M HN 0.601 nan 8.290 nan 0.000 0.427 220 V N 6.630 126.556 119.914 0.019 0.000 2.485 220 V HA 0.018 4.138 4.120 0.000 0.000 0.287 220 V C 0.859 176.977 176.094 0.040 0.000 1.022 220 V CA 0.563 62.896 62.300 0.055 0.000 1.067 220 V CB 0.520 32.399 31.823 0.094 0.000 0.967 220 V HN 0.917 nan 8.190 nan 0.000 0.479 221 K N 2.404 122.829 120.400 0.041 0.000 2.352 221 K HA 0.138 4.458 4.320 0.000 0.000 0.194 221 K C 0.581 177.202 176.600 0.036 0.000 1.038 221 K CA 0.526 56.832 56.287 0.032 0.000 1.023 221 K CB 0.514 33.031 32.500 0.028 0.000 0.840 221 K HN 0.816 nan 8.250 nan 0.000 0.519 222 S N -1.567 114.162 115.700 0.048 0.000 2.550 222 S HA 0.146 4.616 4.470 0.000 0.000 0.270 222 S C 0.451 175.086 174.600 0.058 0.000 1.145 222 S CA -0.969 57.259 58.200 0.047 0.000 0.852 222 S CB 1.719 64.947 63.200 0.046 0.000 1.119 222 S HN -0.158 nan 8.310 nan 0.000 0.465 223 V N 1.328 121.274 119.914 0.052 0.000 2.626 223 V HA -0.072 4.048 4.120 0.000 0.000 0.252 223 V C 2.023 178.163 176.094 0.076 0.000 1.067 223 V CA 2.365 64.700 62.300 0.057 0.000 1.081 223 V CB -1.024 30.824 31.823 0.042 0.000 0.686 223 V HN 0.949 nan 8.190 nan 0.000 0.468 224 E N 0.911 121.155 120.200 0.075 0.000 2.153 224 E HA -0.216 4.134 4.350 0.000 0.000 0.194 224 E C 1.916 178.577 176.600 0.100 0.000 0.988 224 E CA 1.582 58.033 56.400 0.086 0.000 0.811 224 E CB -0.119 29.623 29.700 0.070 0.000 0.746 224 E HN 0.957 nan 8.360 nan 0.000 0.466 225 E N -0.094 120.165 120.200 0.098 0.000 2.476 225 E HA 0.028 4.378 4.350 0.000 0.000 0.196 225 E C 1.519 178.202 176.600 0.139 0.000 1.029 225 E CA -0.141 56.328 56.400 0.114 0.000 0.896 225 E CB 0.044 29.807 29.700 0.106 0.000 1.012 225 E HN 0.098 nan 8.360 nan 0.000 0.475 226 L N 1.940 123.244 121.223 0.134 0.000 2.012 226 L HA -0.009 4.331 4.340 0.000 0.000 0.210 226 L C -0.805 176.174 176.870 0.183 0.000 1.073 226 L CA 1.911 56.845 54.840 0.156 0.000 0.748 226 L CB -0.796 41.337 42.059 0.122 0.000 0.891 226 L HN 0.055 nan 8.230 nan 0.000 0.431 227 P HA -0.150 nan 4.420 nan 0.000 0.216 227 P C 1.943 179.352 177.300 0.181 0.000 1.153 227 P CA 1.113 64.327 63.100 0.189 0.000 0.848 227 P CB -0.101 31.750 31.700 0.252 0.000 0.787 228 L N -0.493 120.830 121.223 0.167 0.000 2.017 228 L HA -0.140 4.200 4.340 0.000 0.000 0.208 228 L C 2.190 179.180 176.870 0.200 0.000 1.073 228 L CA 2.029 56.961 54.840 0.153 0.000 0.745 228 L CB -0.800 41.338 42.059 0.133 0.000 0.894 228 L HN -0.220 nan 8.230 nan 0.000 0.432 229 R N -0.046 120.602 120.500 0.248 0.000 2.096 229 R HA -0.047 4.293 4.340 0.000 0.000 0.235 229 R C 2.335 178.869 176.300 0.389 0.000 1.127 229 R CA 1.743 58.052 56.100 0.348 0.000 0.968 229 R CB -1.050 29.434 30.300 0.308 0.000 0.861 229 R HN 0.477 nan 8.270 nan 0.000 0.440 230 I N 1.459 122.251 120.570 0.370 0.000 2.179 230 I HA -0.291 3.879 4.170 0.000 0.000 0.242 230 I C 1.726 178.114 176.117 0.452 0.000 1.088 230 I CA 1.230 62.815 61.300 0.476 0.000 1.357 230 I CB -0.330 37.894 38.000 0.373 0.000 1.051 230 I HN 0.147 nan 8.210 nan 0.000 0.409 231 N N 0.763 119.628 118.700 0.274 0.000 2.166 231 N HA -0.174 4.566 4.740 0.000 0.000 0.186 231 N C 1.686 177.298 175.510 0.171 0.000 1.019 231 N CA 1.274 54.442 53.050 0.197 0.000 0.856 231 N CB -0.250 38.302 38.487 0.108 0.000 0.993 231 N HN 0.475 nan 8.380 nan 0.000 0.426 232 E N 0.882 121.156 120.200 0.123 0.000 2.106 232 E HA -0.053 4.297 4.350 0.000 0.000 0.192 232 E C 1.995 178.556 176.600 -0.064 0.000 0.984 232 E CA 0.928 57.287 56.400 -0.068 0.000 0.806 232 E CB -0.066 29.507 29.700 -0.212 0.000 0.750 232 E HN 0.324 nan 8.360 nan 0.000 0.458 233 A N 1.042 123.990 122.820 0.213 0.000 1.865 233 A HA -0.182 4.138 4.320 0.000 0.000 0.217 233 A C 1.914 179.529 177.584 0.051 0.000 1.191 233 A CA 1.287 53.465 52.037 0.235 0.000 0.623 233 A CB -0.844 18.279 19.000 0.206 0.000 0.826 233 A HN 0.177 nan 8.150 nan 0.000 0.444 234 F N -0.156 119.839 119.950 0.076 0.000 2.234 234 F HA -0.084 4.443 4.527 0.000 0.000 0.299 234 F C 2.370 178.180 175.800 0.016 0.000 1.087 234 F CA 1.625 59.656 58.000 0.050 0.000 1.340 234 F CB -0.158 38.878 39.000 0.060 0.000 1.031 234 F HN 0.414 nan 8.300 nan 0.000 0.500 235 E N 0.685 120.979 120.200 0.156 0.000 2.046 235 E HA -0.173 4.177 4.350 0.000 0.000 0.190 235 E C 2.287 178.884 176.600 -0.005 0.000 0.982 235 E CA 1.219 57.652 56.400 0.055 0.000 0.800 235 E CB -0.170 29.533 29.700 0.004 0.000 0.756 235 E HN 0.387 nan 8.360 nan 0.000 0.449 236 I N 0.986 121.520 120.570 -0.060 0.000 2.252 236 I HA -0.227 3.943 4.170 0.000 0.000 0.245 236 I C 2.567 178.674 176.117 -0.017 0.000 1.102 236 I CA 0.977 62.230 61.300 -0.079 0.000 1.385 236 I CB -0.313 37.592 38.000 -0.159 0.000 1.064 236 I HN 0.172 nan 8.210 nan 0.000 0.414 237 A N 0.586 123.402 122.820 -0.007 0.000 1.972 237 A HA -0.194 4.126 4.320 0.000 0.000 0.219 237 A C 2.288 179.873 177.584 0.001 0.000 1.169 237 A CA 2.269 54.299 52.037 -0.013 0.000 0.635 237 A CB -0.931 18.021 19.000 -0.080 0.000 0.810 237 A HN 0.536 nan 8.150 nan 0.000 0.446 238 T N -2.492 112.074 114.554 0.021 0.000 3.060 238 T HA 0.237 4.587 4.350 0.000 0.000 0.249 238 T C 0.886 175.598 174.700 0.019 0.000 1.079 238 T CA 0.535 62.655 62.100 0.033 0.000 1.013 238 T CB -0.394 68.515 68.868 0.068 0.000 0.975 238 T HN 0.521 nan 8.240 nan 0.000 0.518 239 S N -0.013 115.691 115.700 0.007 0.000 2.745 239 S HA 0.735 5.205 4.470 0.000 0.000 0.292 239 S C 1.244 175.841 174.600 -0.006 0.000 1.133 239 S CA -0.224 57.977 58.200 0.001 0.000 0.998 239 S CB 0.758 63.953 63.200 -0.008 0.000 1.087 239 S HN 0.930 nan 8.310 nan 0.000 0.551 240 G N 1.383 110.181 108.800 -0.003 0.000 2.672 240 G HA2 -0.342 3.618 3.960 0.000 0.000 0.324 240 G HA3 -0.342 3.618 3.960 0.000 0.000 0.324 240 G C -0.049 174.843 174.900 -0.012 0.000 1.286 240 G CA 0.605 45.700 45.100 -0.008 0.000 1.004 240 G HN 1.038 nan 8.290 nan 0.000 0.548 241 R N 1.827 122.310 120.500 -0.029 0.000 2.216 241 R HA 0.445 4.785 4.340 0.000 0.000 0.332 241 R C -2.243 174.029 176.300 -0.047 0.000 1.056 241 R CA -1.495 54.580 56.100 -0.043 0.000 0.901 241 R CB 0.649 30.905 30.300 -0.072 0.000 1.039 241 R HN 0.254 nan 8.270 nan 0.000 0.456 242 P HA 0.065 nan 4.420 nan 0.000 0.267 242 P C -0.543 176.730 177.300 -0.045 0.000 1.201 242 P CA 0.181 63.267 63.100 -0.024 0.000 0.775 242 P CB 0.796 32.490 31.700 -0.009 0.000 0.854 243 G N 0.971 109.757 108.800 -0.023 0.000 2.495 243 G HA2 0.499 4.459 3.960 0.000 0.000 0.294 243 G HA3 0.499 4.459 3.960 0.000 0.000 0.294 243 G C -3.339 171.579 174.900 0.029 0.000 1.397 243 G CA -0.905 44.188 45.100 -0.012 0.000 0.790 243 G HN 0.277 nan 8.290 nan 0.000 0.486 244 P HA 0.564 nan 4.420 nan 0.000 0.284 244 P C -0.435 176.901 177.300 0.060 0.000 1.258 244 P CA -0.471 62.657 63.100 0.046 0.000 0.824 244 P CB 1.973 33.710 31.700 0.062 0.000 1.038 245 V N 0.437 120.339 119.914 -0.020 0.000 3.007 245 V HA 0.695 4.815 4.120 0.000 0.000 0.311 245 V C -1.069 174.942 176.094 -0.137 0.000 1.120 245 V CA -1.153 61.147 62.300 -0.002 0.000 0.980 245 V CB 1.993 33.878 31.823 0.103 0.000 1.033 245 V HN 0.513 nan 8.190 nan 0.000 0.429 246 L N 3.220 124.339 121.223 -0.173 0.000 2.365 246 L HA 0.880 5.220 4.340 0.000 0.000 0.273 246 L C -1.306 175.398 176.870 -0.276 0.000 1.000 246 L CA -0.622 54.079 54.840 -0.233 0.000 0.819 246 L CB 2.068 44.019 42.059 -0.180 0.000 1.284 246 L HN 0.688 nan 8.230 nan 0.000 0.418 247 V N 3.390 123.146 119.914 -0.264 0.000 2.376 247 V HA 0.306 4.426 4.120 0.000 0.000 0.287 247 V C -0.741 175.351 176.094 -0.003 0.000 1.015 247 V CA -0.568 61.651 62.300 -0.134 0.000 0.834 247 V CB 1.410 33.212 31.823 -0.036 0.000 1.001 247 V HN 0.672 nan 8.190 nan 0.000 0.428 248 D N 4.354 124.732 120.400 -0.036 0.000 2.312 248 D HA 0.433 5.073 4.640 0.000 0.000 0.252 248 D C -0.439 175.885 176.300 0.039 0.000 1.150 248 D CA 0.120 54.115 54.000 -0.008 0.000 0.870 248 D CB 1.042 41.811 40.800 -0.052 0.000 1.153 248 D HN 0.427 nan 8.370 nan 0.000 0.457 249 L N 5.989 127.243 121.223 0.053 0.000 2.356 249 L HA 0.376 4.716 4.340 0.000 0.000 0.264 249 L C -2.197 174.681 176.870 0.015 0.000 1.029 249 L CA -1.957 52.911 54.840 0.047 0.000 0.897 249 L CB 1.482 43.567 42.059 0.043 0.000 1.256 249 L HN 0.180 nan 8.230 nan 0.000 0.444 250 P HA -0.011 nan 4.420 nan 0.000 0.265 250 P C 0.553 177.854 177.300 0.003 0.000 1.193 250 P CA 0.002 63.105 63.100 0.004 0.000 0.765 250 P CB 0.913 32.617 31.700 0.007 0.000 0.823 251 K N 3.634 124.034 120.400 0.000 0.000 2.074 251 K HA -0.233 4.087 4.320 0.000 0.000 0.209 251 K C 1.341 177.941 176.600 0.001 0.000 1.048 251 K CA 2.058 58.345 56.287 -0.001 0.000 0.926 251 K CB -0.283 32.219 32.500 0.004 0.000 0.713 251 K HN 0.532 nan 8.250 nan 0.000 0.444 252 D N -0.053 120.350 120.400 0.005 0.000 2.219 252 D HA -0.130 4.510 4.640 0.000 0.000 0.205 252 D C 1.828 178.133 176.300 0.008 0.000 0.970 252 D CA 0.867 54.871 54.000 0.007 0.000 0.851 252 D CB -0.286 40.519 40.800 0.009 0.000 0.943 252 D HN 0.152 nan 8.370 nan 0.000 0.488 253 V N 1.374 121.295 119.914 0.011 0.000 2.488 253 V HA -0.163 3.957 4.120 0.000 0.000 0.246 253 V C 2.812 178.913 176.094 0.011 0.000 1.046 253 V CA 2.147 64.457 62.300 0.017 0.000 1.053 253 V CB -0.570 31.269 31.823 0.026 0.000 0.679 253 V HN 0.498 nan 8.190 nan 0.000 0.458 254 T N -1.956 112.597 114.554 -0.001 0.000 3.043 254 T HA 0.110 4.460 4.350 0.000 0.000 0.263 254 T C 1.720 176.410 174.700 -0.016 0.000 1.094 254 T CA 1.030 63.120 62.100 -0.017 0.000 1.127 254 T CB -0.006 68.833 68.868 -0.048 0.000 0.905 254 T HN 0.383 nan 8.240 nan 0.000 0.490 255 A N 1.378 124.192 122.820 -0.009 0.000 2.081 255 A HA 0.726 5.046 4.320 0.000 0.000 0.214 255 A C 1.599 179.181 177.584 -0.003 0.000 1.158 255 A CA 0.326 52.358 52.037 -0.008 0.000 0.724 255 A CB -0.799 18.198 19.000 -0.005 0.000 0.826 255 A HN 0.760 nan 8.150 nan 0.000 0.463 256 A N -0.124 122.697 122.820 0.003 0.000 2.425 256 A HA 0.510 4.830 4.320 0.000 0.000 0.242 256 A C 0.003 177.592 177.584 0.008 0.000 1.077 256 A CA 0.020 52.062 52.037 0.008 0.000 0.781 256 A CB -0.100 18.908 19.000 0.014 0.000 1.020 256 A HN 0.383 nan 8.150 nan 0.000 0.494 257 I N 1.276 121.853 120.570 0.012 0.000 2.359 257 I HA 0.182 4.352 4.170 0.000 0.000 0.294 257 I C -0.250 175.883 176.117 0.027 0.000 0.987 257 I CA -0.680 60.629 61.300 0.016 0.000 1.225 257 I CB 1.571 39.581 38.000 0.015 0.000 1.366 257 I HN 0.596 nan 8.210 nan 0.000 0.466 258 L N 7.517 128.762 121.223 0.037 0.000 2.456 258 L HA 0.193 4.533 4.340 0.000 0.000 0.277 258 L C 0.725 177.628 176.870 0.055 0.000 1.124 258 L CA 0.752 55.625 54.840 0.056 0.000 0.880 258 L CB -0.176 41.935 42.059 0.088 0.000 1.192 258 L HN 0.536 nan 8.230 nan 0.000 0.463 259 R N 3.089 123.616 120.500 0.046 0.000 2.472 259 R HA 0.332 4.672 4.340 0.000 0.000 0.279 259 R C -0.545 175.778 176.300 0.038 0.000 0.953 259 R CA -0.243 55.880 56.100 0.039 0.000 1.088 259 R CB 0.201 30.518 30.300 0.029 0.000 1.197 259 R HN 0.613 nan 8.270 nan 0.000 0.536 260 N N 0.961 119.689 118.700 0.046 0.000 2.225 260 N HA 0.341 5.081 4.740 0.000 0.000 0.298 260 N C -2.849 172.690 175.510 0.048 0.000 1.076 260 N CA -1.730 51.344 53.050 0.041 0.000 0.792 260 N CB 2.271 40.781 38.487 0.039 0.000 1.498 260 N HN -0.236 nan 8.380 nan 0.000 0.474 261 P HA 0.315 nan 4.420 nan 0.000 0.272 261 P C -0.442 176.878 177.300 0.035 0.000 1.240 261 P CA -0.172 62.946 63.100 0.030 0.000 0.791 261 P CB 0.684 32.392 31.700 0.014 0.000 0.978 262 I N -3.254 117.334 120.570 0.030 0.000 2.865 262 I HA 0.597 4.767 4.170 0.000 0.000 0.302 262 I C -2.903 173.222 176.117 0.014 0.000 1.140 262 I CA -3.599 57.723 61.300 0.037 0.000 1.021 262 I CB 2.172 40.215 38.000 0.072 0.000 1.233 262 I HN 0.025 nan 8.210 nan 0.000 0.427 263 P HA 0.040 nan 4.420 nan 0.000 0.260 263 P C 0.501 177.797 177.300 -0.007 0.000 1.172 263 P CA 0.340 63.445 63.100 0.007 0.000 0.760 263 P CB 0.566 32.277 31.700 0.018 0.000 0.773 264 T N 1.566 116.105 114.554 -0.025 0.000 2.881 264 T HA -0.190 4.160 4.350 0.000 0.000 0.270 264 T C 2.043 176.726 174.700 -0.028 0.000 1.068 264 T CA 2.044 64.117 62.100 -0.045 0.000 1.131 264 T CB -0.478 68.362 68.868 -0.048 0.000 0.871 264 T HN 0.481 nan 8.240 nan 0.000 0.479 265 K N 1.490 121.883 120.400 -0.011 0.000 2.362 265 K HA -0.040 4.280 4.320 0.000 0.000 0.200 265 K C 2.242 178.849 176.600 0.012 0.000 1.046 265 K CA 1.633 57.919 56.287 -0.002 0.000 0.952 265 K CB -1.309 31.192 32.500 0.002 0.000 0.753 265 K HN 0.691 nan 8.250 nan 0.000 0.466 266 T N -2.995 111.573 114.554 0.023 0.000 3.107 266 T HA -0.028 4.322 4.350 0.000 0.000 0.249 266 T C 1.719 176.459 174.700 0.066 0.000 1.096 266 T CA 1.244 63.374 62.100 0.050 0.000 1.012 266 T CB -0.022 68.886 68.868 0.067 0.000 0.977 266 T HN 0.476 nan 8.240 nan 0.000 0.527 267 T N -0.611 113.963 114.554 0.033 0.000 2.985 267 T HA 0.436 4.786 4.350 0.000 0.000 0.254 267 T C 0.385 175.096 174.700 0.018 0.000 1.021 267 T CA -0.468 61.657 62.100 0.043 0.000 0.957 267 T CB -0.186 68.639 68.868 -0.072 0.000 1.047 267 T HN 0.329 nan 8.240 nan 0.000 0.511 268 L N 2.678 123.902 121.223 0.000 0.000 2.272 268 L HA 0.514 4.854 4.340 0.000 0.000 0.289 268 L C -2.352 174.518 176.870 -0.000 0.000 1.032 268 L CA -2.455 52.379 54.840 -0.009 0.000 0.810 268 L CB 1.342 43.388 42.059 -0.021 0.000 1.205 268 L HN -0.022 nan 8.230 nan 0.000 0.422 269 P HA 0.147 nan 4.420 nan 0.000 0.272 269 P C -0.113 177.186 177.300 -0.002 0.000 1.248 269 P CA -0.020 63.075 63.100 -0.008 0.000 0.799 269 P CB 0.501 32.178 31.700 -0.038 0.000 0.997 279 R N 2.551 123.065 120.500 0.023 0.000 2.105 279 R HA 0.134 4.474 4.340 0.000 0.000 0.239 279 R C 2.485 178.808 176.300 0.039 0.000 1.135 279 R CA 2.684 58.800 56.100 0.028 0.000 0.967 279 R CB -1.704 28.609 30.300 0.021 0.000 0.861 279 R HN 1.435 nan 8.270 nan 0.000 0.442 280 A N 0.053 122.894 122.820 0.035 0.000 1.972 280 A HA -0.177 4.143 4.320 0.000 0.000 0.219 280 A C 2.299 179.934 177.584 0.085 0.000 1.169 280 A CA 1.822 53.886 52.037 0.046 0.000 0.635 280 A CB -0.279 18.732 19.000 0.018 0.000 0.810 280 A HN 0.590 nan 8.150 nan 0.000 0.446 281 Q N 0.357 120.202 119.800 0.074 0.000 2.083 281 Q HA -0.119 4.221 4.340 0.000 0.000 0.198 281 Q C 1.379 177.469 176.000 0.150 0.000 0.969 281 Q CA 1.903 57.779 55.803 0.122 0.000 0.838 281 Q CB -0.281 28.499 28.738 0.071 0.000 0.900 281 Q HN 0.614 nan 8.270 nan 0.000 0.436 282 D N 0.001 120.453 120.400 0.087 0.000 2.144 282 D HA -0.169 4.471 4.640 0.000 0.000 0.199 282 D C 1.832 178.166 176.300 0.057 0.000 0.984 282 D CA 1.722 55.760 54.000 0.062 0.000 0.834 282 D CB -0.100 40.725 40.800 0.041 0.000 0.955 282 D HN 0.608 nan 8.370 nan 0.000 0.465 283 E N 0.771 121.015 120.200 0.073 0.000 2.106 283 E HA -0.162 4.188 4.350 0.000 0.000 0.192 283 E C 1.752 178.397 176.600 0.076 0.000 0.984 283 E CA 0.700 57.138 56.400 0.062 0.000 0.806 283 E CB -1.137 28.602 29.700 0.066 0.000 0.750 283 E HN 0.351 nan 8.360 nan 0.000 0.458 284 F N 0.837 120.781 119.950 -0.011 0.000 2.146 284 F HA -0.073 4.454 4.527 0.000 0.000 0.298 284 F C 2.325 178.111 175.800 -0.023 0.000 1.096 284 F CA 1.586 59.576 58.000 -0.017 0.000 1.275 284 F CB -0.172 38.817 39.000 -0.018 0.000 1.008 284 F HN 0.082 nan 8.300 nan 0.000 0.480 285 V N 0.327 120.152 119.914 -0.148 0.000 2.358 285 V HA -0.290 3.830 4.120 0.000 0.000 0.246 285 V C 2.358 178.325 176.094 -0.212 0.000 1.047 285 V CA 1.921 64.081 62.300 -0.234 0.000 1.035 285 V CB -0.706 31.090 31.823 -0.045 0.000 0.658 285 V HN 0.425 nan 8.190 nan 0.000 0.452 286 M N -0.020 119.513 119.600 -0.112 0.000 2.279 286 M HA -0.162 4.318 4.480 0.000 0.000 0.264 286 M C 2.033 178.263 176.300 -0.116 0.000 1.062 286 M CA 1.643 56.895 55.300 -0.080 0.000 1.099 286 M CB -0.743 31.838 32.600 -0.032 0.000 1.394 286 M HN 0.408 nan 8.290 nan 0.000 0.426 287 Q N -0.919 118.777 119.800 -0.172 0.000 2.049 287 Q HA -0.145 4.195 4.340 0.000 0.000 0.198 287 Q C 1.952 177.809 176.000 -0.239 0.000 0.971 287 Q CA 2.073 57.770 55.803 -0.177 0.000 0.833 287 Q CB -0.110 28.524 28.738 -0.173 0.000 0.896 287 Q HN 0.708 nan 8.270 nan 0.000 0.434 288 S N 0.005 115.468 115.700 -0.394 0.000 2.402 288 S HA -0.123 4.347 4.470 0.000 0.000 0.229 288 S C 1.921 176.373 174.600 -0.246 0.000 1.021 288 S CA 0.931 58.911 58.200 -0.365 0.000 0.974 288 S CB -0.507 62.389 63.200 -0.508 0.000 0.800 288 S HN 0.428 nan 8.310 nan 0.000 0.484 289 I N 2.437 122.888 120.570 -0.198 0.000 2.179 289 I HA -0.180 3.990 4.170 0.000 0.000 0.242 289 I C 2.433 178.505 176.117 -0.074 0.000 1.088 289 I CA 1.204 62.441 61.300 -0.105 0.000 1.357 289 I CB -0.552 37.423 38.000 -0.042 0.000 1.051 289 I HN 0.329 nan 8.210 nan 0.000 0.409 290 N N 1.112 119.763 118.700 -0.081 0.000 2.166 290 N HA -0.166 4.574 4.740 0.000 0.000 0.186 290 N C 1.739 177.204 175.510 -0.076 0.000 1.019 290 N CA 1.233 54.244 53.050 -0.065 0.000 0.856 290 N CB -0.159 38.296 38.487 -0.053 0.000 0.993 290 N HN 0.419 nan 8.380 nan 0.000 0.426 291 K N 0.841 121.185 120.400 -0.094 0.000 2.057 291 K HA 0.034 4.354 4.320 0.000 0.000 0.206 291 K C 2.122 178.673 176.600 -0.082 0.000 1.050 291 K CA 1.093 57.327 56.287 -0.087 0.000 0.935 291 K CB -0.101 32.339 32.500 -0.100 0.000 0.715 291 K HN 0.090 nan 8.250 nan 0.000 0.439 292 A N 1.645 124.410 122.820 -0.091 0.000 1.902 292 A HA -0.142 4.178 4.320 0.000 0.000 0.217 292 A C 2.378 179.946 177.584 -0.027 0.000 1.181 292 A CA 1.915 53.918 52.037 -0.057 0.000 0.623 292 A CB -0.677 18.279 19.000 -0.074 0.000 0.818 292 A HN 0.340 nan 8.150 nan 0.000 0.443 293 A N 0.018 122.811 122.820 -0.045 0.000 1.902 293 A HA -0.172 4.148 4.320 0.000 0.000 0.217 293 A C 1.781 179.265 177.584 -0.167 0.000 1.181 293 A CA 1.822 53.805 52.037 -0.090 0.000 0.623 293 A CB -0.572 18.369 19.000 -0.099 0.000 0.818 293 A HN 0.466 nan 8.150 nan 0.000 0.443 294 D N -0.361 119.953 120.400 -0.144 0.000 2.104 294 D HA -0.138 4.502 4.640 0.000 0.000 0.194 294 D C 1.815 178.045 176.300 -0.117 0.000 0.994 294 D CA 1.195 55.105 54.000 -0.150 0.000 0.830 294 D CB -0.425 40.322 40.800 -0.089 0.000 0.959 294 D HN 0.309 nan 8.370 nan 0.000 0.452 295 L N 0.892 122.069 121.223 -0.078 0.000 2.046 295 L HA -0.065 4.275 4.340 0.000 0.000 0.208 295 L C 2.196 179.036 176.870 -0.050 0.000 1.077 295 L CA 1.169 55.978 54.840 -0.052 0.000 0.747 295 L CB -0.462 41.578 42.059 -0.032 0.000 0.896 295 L HN 0.011 nan 8.230 nan 0.000 0.432 296 I N -0.443 120.096 120.570 -0.052 0.000 2.252 296 I HA -0.275 3.895 4.170 0.000 0.000 0.245 296 I C 1.724 177.798 176.117 -0.072 0.000 1.102 296 I CA 0.942 62.220 61.300 -0.037 0.000 1.385 296 I CB -0.463 37.530 38.000 -0.012 0.000 1.064 296 I HN 0.324 nan 8.210 nan 0.000 0.414 297 N N 0.704 119.308 118.700 -0.159 0.000 2.520 297 N HA -0.090 4.650 4.740 0.000 0.000 0.185 297 N C 1.690 177.164 175.510 -0.060 0.000 1.068 297 N CA 0.946 53.882 53.050 -0.191 0.000 0.911 297 N CB -0.002 38.139 38.487 -0.577 0.000 0.961 297 N HN 0.395 nan 8.380 nan 0.000 0.446 298 L N -0.027 121.162 121.223 -0.057 0.000 2.513 298 L HA 0.280 4.620 4.340 0.000 0.000 0.222 298 L C 0.501 177.348 176.870 -0.037 0.000 1.096 298 L CA -0.154 54.669 54.840 -0.029 0.000 0.857 298 L CB 0.035 42.075 42.059 -0.033 0.000 1.026 298 L HN -0.057 nan 8.230 nan 0.000 0.469 299 A N -0.114 122.678 122.820 -0.046 0.000 2.462 299 A HA 0.143 4.463 4.320 0.000 0.000 0.243 299 A C 0.750 178.278 177.584 -0.093 0.000 1.076 299 A CA 0.035 52.029 52.037 -0.071 0.000 0.773 299 A CB 0.375 19.339 19.000 -0.059 0.000 1.010 299 A HN 0.110 nan 8.150 nan 0.000 0.493 300 K N 0.556 120.858 120.400 -0.162 0.000 2.399 300 K HA 0.131 4.451 4.320 0.000 0.000 0.196 300 K C -0.178 176.177 176.600 -0.409 0.000 1.103 300 K CA 0.871 57.039 56.287 -0.197 0.000 0.986 300 K CB 0.515 32.915 32.500 -0.165 0.000 0.952 300 K HN 0.694 nan 8.250 nan 0.000 0.541 301 K N 1.686 121.715 120.400 -0.617 0.000 3.146 301 K HA 0.207 4.527 4.320 0.000 0.000 0.168 301 K C -2.745 173.426 176.600 -0.715 0.000 1.075 301 K CA -1.252 54.175 56.287 -1.433 0.000 0.843 301 K CB 1.900 33.366 32.500 -1.724 0.000 1.002 301 K HN -0.038 nan 8.250 nan 0.000 0.597 302 P HA 0.231 nan 4.420 nan 0.000 0.277 302 P C -0.494 176.994 177.300 0.314 0.000 1.240 302 P CA -0.440 62.700 63.100 0.068 0.000 0.798 302 P CB 1.796 33.544 31.700 0.080 0.000 0.979 303 V N 2.952 123.002 119.914 0.227 0.000 2.733 303 V HA 0.263 4.383 4.120 0.000 0.000 0.306 303 V C 0.085 176.266 176.094 0.145 0.000 1.084 303 V CA -0.651 61.783 62.300 0.224 0.000 0.905 303 V CB 2.075 34.038 31.823 0.233 0.000 1.010 303 V HN 0.413 nan 8.190 nan 0.000 0.424 304 L N 4.832 126.105 121.223 0.083 0.000 2.260 304 L HA 0.430 4.770 4.340 0.000 0.000 0.289 304 L C -0.954 175.958 176.870 0.070 0.000 1.057 304 L CA -0.537 54.331 54.840 0.046 0.000 0.811 304 L CB 0.759 42.790 42.059 -0.047 0.000 1.184 304 L HN 0.744 nan 8.230 nan 0.000 0.429 305 Y N 5.710 125.988 120.300 -0.036 0.000 2.593 305 Y HA 0.486 5.036 4.550 0.000 0.000 0.331 305 Y C -0.843 175.006 175.900 -0.084 0.000 0.986 305 Y CA -1.200 56.857 58.100 -0.072 0.000 1.262 305 Y CB 0.542 38.952 38.460 -0.083 0.000 1.098 305 Y HN 0.181 nan 8.280 nan 0.000 0.506 306 V N 6.177 126.006 119.914 -0.142 0.000 2.439 306 V HA 0.808 4.928 4.120 0.000 0.000 0.282 306 V C 0.622 176.582 176.094 -0.224 0.000 1.039 306 V CA 0.003 62.175 62.300 -0.212 0.000 0.913 306 V CB 0.991 32.746 31.823 -0.113 0.000 0.983 306 V HN 0.924 nan 8.190 nan 0.000 0.460 307 G N 1.980 110.632 108.800 -0.247 0.000 3.175 307 G HA2 0.580 4.540 3.960 0.000 0.000 0.255 307 G HA3 0.580 4.540 3.960 0.000 0.000 0.255 307 G C 0.885 175.722 174.900 -0.105 0.000 1.352 307 G CA -0.003 44.989 45.100 -0.179 0.000 1.037 307 G HN 0.848 nan 8.290 nan 0.000 0.556 308 A N -0.825 121.946 122.820 -0.082 0.000 2.032 308 A HA 0.046 4.366 4.320 0.000 0.000 0.221 308 A C 2.511 180.076 177.584 -0.032 0.000 1.165 308 A CA 2.546 54.550 52.037 -0.054 0.000 0.645 308 A CB -1.066 17.904 19.000 -0.051 0.000 0.807 308 A HN 1.292 nan 8.150 nan 0.000 0.453 309 G N -0.243 108.535 108.800 -0.037 0.000 2.450 309 G HA2 -0.200 3.760 3.960 0.000 0.000 0.220 309 G HA3 -0.200 3.760 3.960 0.000 0.000 0.220 309 G C 1.348 176.250 174.900 0.004 0.000 1.130 309 G CA 1.164 46.257 45.100 -0.011 0.000 0.760 309 G HN 0.503 nan 8.290 nan 0.000 0.557 310 I N 0.310 120.868 120.570 -0.020 0.000 2.830 310 I HA 0.113 4.283 4.170 0.000 0.000 0.263 310 I C 2.072 178.204 176.117 0.026 0.000 1.230 310 I CA 0.471 61.764 61.300 -0.011 0.000 1.480 310 I CB 0.042 38.020 38.000 -0.037 0.000 1.095 310 I HN 0.103 nan 8.210 nan 0.000 0.455 311 L N -0.562 120.672 121.223 0.019 0.000 2.592 311 L HA 0.117 4.457 4.340 0.000 0.000 0.227 311 L C 1.222 178.205 176.870 0.188 0.000 1.127 311 L CA 0.301 55.164 54.840 0.039 0.000 0.884 311 L CB -0.548 41.466 42.059 -0.074 0.000 1.065 311 L HN 0.183 nan 8.230 nan 0.000 0.457 312 N N -0.972 117.806 118.700 0.130 0.000 2.434 312 N HA -0.021 4.719 4.740 0.000 0.000 0.196 312 N C -0.202 175.388 175.510 0.134 0.000 1.183 312 N CA -0.016 53.105 53.050 0.119 0.000 0.849 312 N CB 0.166 38.697 38.487 0.074 0.000 0.992 312 N HN 0.274 nan 8.380 nan 0.000 0.460 313 H N -1.436 117.679 119.070 0.075 0.000 2.947 313 H HA 0.387 4.943 4.556 0.000 0.000 0.354 313 H C 0.353 175.730 175.328 0.082 0.000 1.085 313 H CA -0.465 55.618 56.048 0.058 0.000 1.253 313 H CB 1.336 31.118 29.762 0.034 0.000 1.757 313 H HN -0.034 nan 8.280 nan 0.000 0.523 314 A N 2.755 125.563 122.820 -0.020 0.000 1.948 314 A HA -0.185 4.135 4.320 0.000 0.000 0.220 314 A C 1.392 179.110 177.584 0.223 0.000 1.177 314 A CA 2.023 54.122 52.037 0.104 0.000 0.636 314 A CB -0.180 18.814 19.000 -0.009 0.000 0.815 314 A HN 0.838 nan 8.150 nan 0.000 0.449 315 D N -0.743 119.924 120.400 0.445 0.000 2.340 315 D HA 0.105 4.745 4.640 0.000 0.000 0.220 315 D C 1.845 178.214 176.300 0.116 0.000 1.039 315 D CA 0.782 54.922 54.000 0.233 0.000 0.866 315 D CB -0.325 40.578 40.800 0.172 0.000 0.913 315 D HN 0.421 nan 8.370 nan 0.000 0.523 316 G N 2.521 111.409 108.800 0.146 0.000 2.545 316 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 316 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 316 G C -0.654 174.266 174.900 0.033 0.000 1.218 316 G CA 0.572 45.703 45.100 0.051 0.000 0.787 316 G HN 0.277 nan 8.290 nan 0.000 0.571 317 P HA -0.104 nan 4.420 nan 0.000 0.216 317 P C 1.947 179.276 177.300 0.048 0.000 1.153 317 P CA 1.382 64.513 63.100 0.051 0.000 0.858 317 P CB -0.093 31.628 31.700 0.036 0.000 0.789 318 R N -0.165 120.360 120.500 0.041 0.000 2.073 318 R HA -0.103 4.237 4.340 0.000 0.000 0.234 318 R C 2.205 178.522 176.300 0.027 0.000 1.134 318 R CA 1.408 57.527 56.100 0.032 0.000 0.952 318 R CB -0.895 29.426 30.300 0.035 0.000 0.850 318 R HN 0.169 nan 8.270 nan 0.000 0.433 319 L N 0.736 121.965 121.223 0.010 0.000 2.093 319 L HA -0.173 4.167 4.340 0.000 0.000 0.208 319 L C 2.496 179.364 176.870 -0.004 0.000 1.085 319 L CA 0.454 55.286 54.840 -0.013 0.000 0.755 319 L CB -0.472 41.552 42.059 -0.059 0.000 0.904 319 L HN 0.282 nan 8.230 nan 0.000 0.435 320 L N 0.555 121.785 121.223 0.012 0.000 2.042 320 L HA -0.241 4.099 4.340 0.000 0.000 0.210 320 L C 2.546 179.494 176.870 0.131 0.000 1.076 320 L CA 1.908 56.773 54.840 0.042 0.000 0.749 320 L CB -0.653 41.454 42.059 0.080 0.000 0.893 320 L HN 0.147 nan 8.230 nan 0.000 0.432 321 K N -0.588 119.906 120.400 0.156 0.000 2.057 321 K HA -0.243 4.077 4.320 0.000 0.000 0.207 321 K C 2.162 178.837 176.600 0.126 0.000 1.049 321 K CA 1.696 58.092 56.287 0.182 0.000 0.931 321 K CB -0.233 32.301 32.500 0.057 0.000 0.714 321 K HN 0.554 nan 8.250 nan 0.000 0.440 322 E N 0.439 120.683 120.200 0.073 0.000 2.058 322 E HA -0.222 4.128 4.350 0.000 0.000 0.194 322 E C 2.096 178.734 176.600 0.064 0.000 0.997 322 E CA 1.204 57.638 56.400 0.058 0.000 0.801 322 E CB -0.087 29.633 29.700 0.034 0.000 0.746 322 E HN 0.263 nan 8.360 nan 0.000 0.450 323 L N 0.654 121.906 121.223 0.048 0.000 2.012 323 L HA -0.178 4.162 4.340 0.000 0.000 0.210 323 L C 2.450 179.366 176.870 0.077 0.000 1.073 323 L CA 2.331 57.195 54.840 0.040 0.000 0.748 323 L CB -0.977 41.078 42.059 -0.007 0.000 0.891 323 L HN 0.056 nan 8.230 nan 0.000 0.431 324 S N -0.886 114.879 115.700 0.109 0.000 2.370 324 S HA -0.219 4.251 4.470 0.000 0.000 0.226 324 S C 1.734 176.438 174.600 0.174 0.000 1.033 324 S CA 1.740 60.030 58.200 0.149 0.000 1.011 324 S CB -0.484 62.855 63.200 0.233 0.000 0.852 324 S HN 0.636 nan 8.310 nan 0.000 0.457 325 D N 0.547 121.042 120.400 0.159 0.000 2.123 325 D HA -0.038 4.602 4.640 0.000 0.000 0.200 325 D C 2.182 178.551 176.300 0.115 0.000 0.976 325 D CA 0.738 54.823 54.000 0.141 0.000 0.831 325 D CB -0.437 40.429 40.800 0.110 0.000 0.974 325 D HN 0.415 nan 8.370 nan 0.000 0.469 326 R N 0.687 121.244 120.500 0.095 0.000 2.083 326 R HA -0.088 4.252 4.340 0.000 0.000 0.237 326 R C 1.545 177.898 176.300 0.090 0.000 1.137 326 R CA 1.689 57.838 56.100 0.083 0.000 0.951 326 R CB -0.044 30.298 30.300 0.071 0.000 0.851 326 R HN 0.086 nan 8.270 nan 0.000 0.434 327 A N -0.171 122.707 122.820 0.097 0.000 2.387 327 A HA 0.125 4.445 4.320 0.000 0.000 0.234 327 A C -0.221 177.438 177.584 0.124 0.000 1.253 327 A CA -0.265 51.831 52.037 0.098 0.000 0.894 327 A CB 0.525 19.574 19.000 0.083 0.000 0.963 327 A HN 0.400 nan 8.150 nan 0.000 0.508 328 Q N -0.417 119.477 119.800 0.156 0.000 2.453 328 Q HA -0.177 4.164 4.340 0.000 0.000 0.330 328 Q C -0.710 175.511 176.000 0.369 0.000 1.417 328 Q CA 0.999 56.949 55.803 0.246 0.000 0.902 328 Q CB -1.775 27.015 28.738 0.088 0.000 1.154 328 Q HN 0.750 nan 8.270 nan 0.000 0.395 329 I N 1.958 122.703 120.570 0.291 0.000 2.339 329 I HA 0.307 4.477 4.170 0.000 0.000 0.290 329 I C -1.717 174.503 176.117 0.171 0.000 0.994 329 I CA -2.139 59.323 61.300 0.270 0.000 1.191 329 I CB 1.667 39.765 38.000 0.163 0.000 1.343 329 I HN -0.080 nan 8.210 nan 0.000 0.458 330 P HA 0.108 nan 4.420 nan 0.000 0.271 330 P C -0.767 176.444 177.300 -0.148 0.000 1.218 330 P CA -0.093 62.955 63.100 -0.086 0.000 0.780 330 P CB 1.433 33.027 31.700 -0.177 0.000 0.901 331 V N 2.315 122.013 119.914 -0.360 0.000 2.487 331 V HA 0.450 4.570 4.120 0.000 0.000 0.298 331 V C 0.522 176.411 176.094 -0.342 0.000 1.028 331 V CA -0.284 61.714 62.300 -0.503 0.000 0.860 331 V CB 1.660 32.722 31.823 -1.268 0.000 0.991 331 V HN 0.648 nan 8.190 nan 0.000 0.427 332 T N 3.052 117.506 114.554 -0.166 0.000 2.887 332 T HA 0.762 5.112 4.350 0.000 0.000 0.288 332 T C -0.267 174.428 174.700 -0.008 0.000 1.021 332 T CA -0.084 61.979 62.100 -0.061 0.000 1.000 332 T CB 1.611 70.472 68.868 -0.012 0.000 1.034 332 T HN 1.002 nan 8.240 nan 0.000 0.467 333 T N 0.498 115.066 114.554 0.023 0.000 2.916 333 T HA 0.715 5.065 4.350 0.000 0.000 0.292 333 T C 0.510 175.246 174.700 0.060 0.000 1.055 333 T CA -0.563 61.557 62.100 0.034 0.000 1.009 333 T CB 1.260 70.138 68.868 0.016 0.000 1.118 333 T HN 0.797 nan 8.240 nan 0.000 0.497 334 T N 0.122 114.708 114.554 0.053 0.000 2.770 334 T HA 0.322 4.672 4.350 0.000 0.000 0.281 334 T C 1.386 176.095 174.700 0.015 0.000 0.981 334 T CA -0.568 61.566 62.100 0.056 0.000 0.955 334 T CB 0.348 69.241 68.868 0.042 0.000 1.060 334 T HN 0.574 nan 8.240 nan 0.000 0.531 335 L N 0.408 121.643 121.223 0.021 0.000 2.042 335 L HA -0.063 4.277 4.340 0.000 0.000 0.210 335 L C 2.498 179.384 176.870 0.026 0.000 1.076 335 L CA 1.717 56.582 54.840 0.042 0.000 0.749 335 L CB -0.835 41.254 42.059 0.050 0.000 0.893 335 L HN 0.598 nan 8.230 nan 0.000 0.432 336 Q N -0.684 119.099 119.800 -0.029 0.000 2.444 336 Q HA 0.112 4.452 4.340 0.000 0.000 0.206 336 Q C 1.711 177.673 176.000 -0.064 0.000 0.948 336 Q CA 0.903 56.668 55.803 -0.064 0.000 0.946 336 Q CB 0.065 28.755 28.738 -0.080 0.000 1.027 336 Q HN 0.638 nan 8.270 nan 0.000 0.513 337 G N -0.267 108.499 108.800 -0.058 0.000 3.044 337 G HA2 0.179 4.139 3.960 0.000 0.000 0.223 337 G HA3 0.179 4.139 3.960 0.000 0.000 0.223 337 G C 0.504 175.362 174.900 -0.070 0.000 1.123 337 G CA -0.340 44.722 45.100 -0.062 0.000 0.765 337 G HN 0.145 nan 8.290 nan 0.000 0.546 338 L N 0.824 121.968 121.223 -0.132 0.000 2.540 338 L HA 0.314 4.654 4.340 0.000 0.000 0.276 338 L C 1.637 178.372 176.870 -0.225 0.000 1.212 338 L CA 1.302 55.970 54.840 -0.287 0.000 0.893 338 L CB 0.600 42.174 42.059 -0.808 0.000 1.138 338 L HN 0.346 nan 8.230 nan 0.000 0.491 339 G N 1.399 110.193 108.800 -0.009 0.000 2.213 339 G HA2 -0.326 3.634 3.960 0.000 0.000 0.236 339 G HA3 -0.326 3.634 3.960 0.000 0.000 0.236 339 G C 0.959 175.895 174.900 0.059 0.000 0.991 339 G CA 0.471 45.632 45.100 0.101 0.000 0.629 339 G HN 0.723 nan 8.290 nan 0.000 0.517 340 S N -1.216 114.510 115.700 0.042 0.000 2.496 340 S HA 0.538 5.008 4.470 0.000 0.000 0.224 340 S C 0.477 175.173 174.600 0.159 0.000 0.996 340 S CA 0.711 58.940 58.200 0.047 0.000 0.927 340 S CB 0.179 63.391 63.200 0.021 0.000 0.774 340 S HN 1.008 nan 8.310 nan 0.000 0.524 341 F N 2.180 122.144 119.950 0.024 0.000 2.547 341 F HA 0.484 5.011 4.527 0.000 0.000 0.316 341 F C -0.916 174.926 175.800 0.070 0.000 1.121 341 F CA -1.459 56.563 58.000 0.037 0.000 0.911 341 F CB 1.778 40.795 39.000 0.028 0.000 1.179 341 F HN -0.069 nan 8.300 nan 0.000 0.443 342 D N 4.351 124.463 120.400 -0.481 0.000 2.342 342 D HA 0.055 4.695 4.640 0.000 0.000 0.260 342 D C 0.651 176.872 176.300 -0.131 0.000 1.278 342 D CA 0.488 54.337 54.000 -0.253 0.000 0.910 342 D CB 0.908 41.527 40.800 -0.300 0.000 1.079 342 D HN 0.669 nan 8.370 nan 0.000 0.496 343 Q N 2.360 122.209 119.800 0.082 0.000 2.541 343 Q HA -0.093 4.247 4.340 0.000 0.000 0.215 343 Q C 0.791 176.829 176.000 0.063 0.000 0.977 343 Q CA 0.571 56.460 55.803 0.144 0.000 0.934 343 Q CB 0.390 29.235 28.738 0.178 0.000 0.988 343 Q HN 0.573 nan 8.270 nan 0.000 0.521 344 E N 0.781 120.981 120.200 -0.000 0.000 2.371 344 E HA -0.042 4.308 4.350 0.000 0.000 0.194 344 E C 0.270 176.862 176.600 -0.013 0.000 1.012 344 E CA 0.249 56.640 56.400 -0.015 0.000 0.860 344 E CB 0.107 29.785 29.700 -0.036 0.000 0.811 344 E HN 0.310 nan 8.360 nan 0.000 0.502 345 D N 1.002 121.386 120.400 -0.027 0.000 2.389 345 D HA 0.001 4.641 4.640 0.000 0.000 0.247 345 D C -1.752 174.589 176.300 0.068 0.000 1.128 345 D CA -1.772 52.228 54.000 0.001 0.000 0.884 345 D CB 1.712 42.468 40.800 -0.073 0.000 1.194 345 D HN -0.170 nan 8.370 nan 0.000 0.441 346 P HA -0.089 nan 4.420 nan 0.000 0.219 346 P C 0.651 177.919 177.300 -0.053 0.000 1.146 346 P CA 1.150 64.249 63.100 -0.001 0.000 0.808 346 P CB 0.301 32.004 31.700 0.006 0.000 0.779 347 K N -0.894 119.525 120.400 0.032 0.000 2.487 347 K HA 0.089 4.409 4.320 0.000 0.000 0.192 347 K C 0.727 177.331 176.600 0.007 0.000 1.027 347 K CA 0.037 56.298 56.287 -0.042 0.000 1.054 347 K CB -0.207 32.355 32.500 0.104 0.000 0.824 347 K HN -0.010 nan 8.250 nan 0.000 0.510 348 S N 0.275 116.084 115.700 0.181 0.000 2.548 348 S HA 0.171 4.641 4.470 0.000 0.000 0.277 348 S C 0.666 175.261 174.600 -0.009 0.000 1.315 348 S CA -0.447 57.856 58.200 0.172 0.000 1.050 348 S CB 0.428 63.827 63.200 0.331 0.000 0.918 348 S HN 0.236 nan 8.310 nan 0.000 0.497 349 L N 3.501 124.688 121.223 -0.061 0.000 2.693 349 L HA 0.309 4.649 4.340 0.000 0.000 0.235 349 L C 0.933 177.775 176.870 -0.046 0.000 1.127 349 L CA 0.004 54.795 54.840 -0.082 0.000 0.914 349 L CB -0.386 41.610 42.059 -0.106 0.000 1.193 349 L HN 0.816 nan 8.230 nan 0.000 0.502 350 D N 0.056 120.470 120.400 0.023 0.000 3.876 350 D HA -0.265 4.375 4.640 0.000 0.000 0.275 350 D C -0.223 176.118 176.300 0.070 0.000 2.055 350 D CA 0.776 54.826 54.000 0.084 0.000 1.173 350 D CB -0.103 40.739 40.800 0.070 0.000 0.929 350 D HN -0.015 nan 8.370 nan 0.000 1.134 351 M N 1.036 120.707 119.600 0.119 0.000 2.242 351 M HA 0.434 4.914 4.480 0.000 0.000 0.344 351 M C 0.132 176.462 176.300 0.050 0.000 1.140 351 M CA -0.301 55.054 55.300 0.092 0.000 1.160 351 M CB 0.598 33.270 32.600 0.119 0.000 1.491 351 M HN 0.368 nan 8.290 nan 0.000 0.459 352 L N 2.301 123.540 121.223 0.027 0.000 2.298 352 L HA 1.104 5.444 4.340 0.000 0.000 0.268 352 L C -0.069 176.797 176.870 -0.008 0.000 1.010 352 L CA -0.172 54.658 54.840 -0.016 0.000 0.812 352 L CB 1.540 43.574 42.059 -0.043 0.000 1.331 352 L HN 0.839 nan 8.230 nan 0.000 0.450 353 G N -0.000 108.780 108.800 -0.032 0.000 2.466 353 G HA2 -0.239 3.721 3.960 0.000 0.000 0.316 353 G HA3 -0.239 3.721 3.960 0.000 0.000 0.316 353 G C 0.104 174.980 174.900 -0.039 0.000 1.270 353 G CA 0.056 45.136 45.100 -0.032 0.000 0.982 353 G HN 1.127 nan 8.290 nan 0.000 0.506 354 M N -0.866 118.691 119.600 -0.073 0.000 2.116 354 M HA -0.161 4.319 4.480 0.000 0.000 0.255 354 M C 1.383 177.511 176.300 -0.287 0.000 1.075 354 M CA 2.612 57.802 55.300 -0.183 0.000 1.087 354 M CB -0.229 32.229 32.600 -0.237 0.000 1.340 354 M HN 0.585 nan 8.290 nan 0.000 0.402 355 H N -0.687 118.406 119.070 0.038 0.000 2.575 355 H HA 0.378 4.934 4.556 0.000 0.000 0.256 355 H C 0.310 175.673 175.328 0.059 0.000 1.162 355 H CA 0.266 56.337 56.048 0.039 0.000 0.969 355 H CB -0.344 29.419 29.762 0.003 0.000 1.796 355 H HN 0.405 nan 8.280 nan 0.000 0.607 356 G N 0.146 109.013 108.800 0.112 0.000 2.537 356 G HA2 0.163 4.123 3.960 0.000 0.000 0.273 356 G HA3 0.163 4.123 3.960 0.000 0.000 0.273 356 G C 0.063 174.988 174.900 0.043 0.000 1.189 356 G CA -0.389 44.770 45.100 0.098 0.000 0.881 356 G HN 0.414 nan 8.290 nan 0.000 0.535 357 C N 0.984 120.287 119.300 0.004 0.000 2.563 357 C HA 0.334 4.794 4.460 0.000 0.000 0.411 357 C C 2.163 176.926 174.990 -0.379 0.000 1.386 357 C CA 0.271 59.103 59.018 -0.310 0.000 1.703 357 C CB -0.416 27.074 27.740 -0.416 0.000 2.596 357 C HN 0.910 nan 8.230 nan 0.000 0.605 358 A N 4.452 126.940 122.820 -0.553 0.000 1.972 358 A HA -0.088 4.232 4.320 0.000 0.000 0.219 358 A C 2.170 179.368 177.584 -0.643 0.000 1.169 358 A CA 2.461 53.957 52.037 -0.903 0.000 0.635 358 A CB -0.912 17.280 19.000 -1.347 0.000 0.810 358 A HN 0.963 nan 8.150 nan 0.000 0.446 359 T N 0.132 114.449 114.554 -0.394 0.000 2.746 359 T HA 0.004 4.354 4.350 0.000 0.000 0.267 359 T C 2.232 176.789 174.700 -0.239 0.000 1.039 359 T CA 1.469 63.425 62.100 -0.240 0.000 1.142 359 T CB -0.385 68.447 68.868 -0.059 0.000 0.866 359 T HN 0.599 nan 8.240 nan 0.000 0.444 360 A N 2.402 125.091 122.820 -0.218 0.000 1.877 360 A HA -0.147 4.173 4.320 0.000 0.000 0.216 360 A C 2.261 179.742 177.584 -0.171 0.000 1.186 360 A CA 1.503 53.448 52.037 -0.152 0.000 0.620 360 A CB -0.631 18.303 19.000 -0.110 0.000 0.822 360 A HN 0.371 nan 8.150 nan 0.000 0.443 361 N N 0.059 118.622 118.700 -0.229 0.000 2.166 361 N HA -0.073 4.667 4.740 0.000 0.000 0.186 361 N C 1.634 176.996 175.510 -0.247 0.000 1.019 361 N CA 1.221 54.152 53.050 -0.198 0.000 0.856 361 N CB -0.454 37.917 38.487 -0.193 0.000 0.993 361 N HN 0.510 nan 8.380 nan 0.000 0.426 362 L N 0.406 121.362 121.223 -0.445 0.000 2.109 362 L HA -0.023 4.317 4.340 0.000 0.000 0.207 362 L C 2.367 178.960 176.870 -0.462 0.000 1.086 362 L CA 0.836 55.254 54.840 -0.704 0.000 0.760 362 L CB -0.408 40.687 42.059 -1.607 0.000 0.910 362 L HN 0.089 nan 8.230 nan 0.000 0.437 363 A N -0.304 122.384 122.820 -0.221 0.000 1.902 363 A HA -0.156 4.164 4.320 0.000 0.000 0.217 363 A C 2.303 180.021 177.584 0.223 0.000 1.181 363 A CA 1.748 53.904 52.037 0.199 0.000 0.623 363 A CB -0.800 18.255 19.000 0.091 0.000 0.818 363 A HN 0.194 nan 8.150 nan 0.000 0.443 364 V N 0.005 119.934 119.914 0.026 0.000 2.515 364 V HA -0.215 3.905 4.120 0.000 0.000 0.250 364 V C 2.562 178.585 176.094 -0.117 0.000 1.058 364 V CA 1.889 64.163 62.300 -0.043 0.000 1.064 364 V CB -0.628 31.129 31.823 -0.110 0.000 0.675 364 V HN 0.540 nan 8.190 nan 0.000 0.461 365 Q N -0.361 119.380 119.800 -0.098 0.000 2.311 365 Q HA 0.007 4.347 4.340 0.000 0.000 0.203 365 Q C 1.616 177.611 176.000 -0.008 0.000 0.954 365 Q CA 0.793 56.533 55.803 -0.105 0.000 0.885 365 Q CB -0.197 28.485 28.738 -0.094 0.000 0.963 365 Q HN 0.653 nan 8.270 nan 0.000 0.471 366 N N -0.273 118.504 118.700 0.129 0.000 2.205 366 N HA 0.140 4.880 4.740 0.000 0.000 0.201 366 N C -0.053 175.542 175.510 0.141 0.000 1.128 366 N CA 0.051 53.238 53.050 0.228 0.000 0.867 366 N CB 0.854 39.654 38.487 0.521 0.000 0.996 366 N HN 0.011 nan 8.380 nan 0.000 0.503 367 A N 1.520 124.414 122.820 0.123 0.000 2.407 367 A HA 0.104 4.424 4.320 0.000 0.000 0.248 367 A C 0.958 178.472 177.584 -0.117 0.000 1.082 367 A CA -0.157 51.856 52.037 -0.041 0.000 0.785 367 A CB 0.358 19.419 19.000 0.102 0.000 1.020 367 A HN 0.210 nan 8.150 nan 0.000 0.489 368 D N 0.337 120.620 120.400 -0.195 0.000 2.346 368 D HA 0.121 4.761 4.640 0.000 0.000 0.206 368 D C 0.019 176.269 176.300 -0.085 0.000 1.001 368 D CA 0.264 54.182 54.000 -0.136 0.000 0.871 368 D CB 0.025 40.727 40.800 -0.164 0.000 0.943 368 D HN 0.257 nan 8.370 nan 0.000 0.518 369 L N 0.494 121.676 121.223 -0.068 0.000 2.470 369 L HA 0.472 4.812 4.340 0.000 0.000 0.268 369 L C -1.728 175.169 176.870 0.045 0.000 0.964 369 L CA -0.795 54.041 54.840 -0.007 0.000 0.839 369 L CB 2.183 44.238 42.059 -0.006 0.000 1.276 369 L HN -0.110 nan 8.230 nan 0.000 0.403 370 I N 6.398 127.018 120.570 0.083 0.000 2.355 370 I HA 0.393 4.563 4.170 0.000 0.000 0.288 370 I C -0.528 175.715 176.117 0.209 0.000 0.999 370 I CA -0.394 60.994 61.300 0.147 0.000 1.163 370 I CB 1.460 39.554 38.000 0.157 0.000 1.316 370 I HN 0.502 nan 8.210 nan 0.000 0.454 371 I N 6.573 127.268 120.570 0.209 0.000 2.282 371 I HA 0.334 4.504 4.170 0.000 0.000 0.290 371 I C 0.647 176.912 176.117 0.247 0.000 1.090 371 I CA -0.316 61.130 61.300 0.243 0.000 1.231 371 I CB 0.886 39.002 38.000 0.192 0.000 1.434 371 I HN 0.561 nan 8.210 nan 0.000 0.487 372 A N 6.737 129.743 122.820 0.311 0.000 2.347 372 A HA 0.526 4.846 4.320 0.000 0.000 0.287 372 A C -0.084 177.624 177.584 0.207 0.000 1.199 372 A CA -0.223 51.903 52.037 0.149 0.000 0.851 372 A CB 0.204 19.315 19.000 0.186 0.000 1.118 372 A HN 0.483 nan 8.150 nan 0.000 0.525 373 V N 2.826 122.715 119.914 -0.042 0.000 2.304 373 V HA 0.558 4.678 4.120 0.000 0.000 0.278 373 V C 1.039 177.080 176.094 -0.090 0.000 1.018 373 V CA 0.352 62.643 62.300 -0.015 0.000 0.814 373 V CB 0.515 32.257 31.823 -0.135 0.000 1.021 373 V HN 1.755 nan 8.190 nan 0.000 0.440 374 G N 4.013 112.818 108.800 0.008 0.000 2.314 374 G HA2 0.096 4.056 3.960 0.000 0.000 0.292 374 G HA3 0.096 4.056 3.960 0.000 0.000 0.292 374 G C 0.077 174.911 174.900 -0.110 0.000 1.059 374 G CA 0.408 45.492 45.100 -0.028 0.000 0.982 374 G HN 1.587 nan 8.290 nan 0.000 0.505 375 A N -0.307 122.427 122.820 -0.144 0.000 2.449 375 A HA 0.871 5.191 4.320 0.000 0.000 0.302 375 A C 0.687 178.243 177.584 -0.047 0.000 1.048 375 A CA -0.054 51.800 52.037 -0.305 0.000 0.708 375 A CB 0.942 19.319 19.000 -1.039 0.000 1.274 375 A HN 1.109 nan 8.150 nan 0.000 0.410 376 R N 0.806 121.333 120.500 0.045 0.000 2.427 376 R HA 0.404 4.744 4.340 0.000 0.000 0.262 376 R C -0.997 175.529 176.300 0.377 0.000 0.943 376 R CA -0.083 56.164 56.100 0.245 0.000 1.081 376 R CB -0.545 29.840 30.300 0.142 0.000 1.166 376 R HN 0.634 nan 8.270 nan 0.000 0.534 377 F N 2.762 122.778 119.950 0.111 0.000 3.027 377 F HA -0.271 4.256 4.527 0.000 0.000 0.276 377 F C 0.112 175.857 175.800 -0.092 0.000 0.967 377 F CA 1.026 59.016 58.000 -0.015 0.000 0.929 377 F CB -1.962 36.962 39.000 -0.128 0.000 0.873 377 F HN 0.459 nan 8.300 nan 0.000 0.787 378 D N 0.760 121.201 120.400 0.069 0.000 2.361 378 D HA 0.051 4.691 4.640 0.000 0.000 0.239 378 D C 1.094 177.372 176.300 -0.037 0.000 1.200 378 D CA 0.341 54.349 54.000 0.013 0.000 0.915 378 D CB 0.753 41.552 40.800 -0.001 0.000 1.170 378 D HN 0.401 nan 8.370 nan 0.000 0.444 379 D N -0.420 119.956 120.400 -0.040 0.000 2.378 379 D HA -0.159 4.481 4.640 0.000 0.000 0.222 379 D C 1.218 177.487 176.300 -0.051 0.000 0.980 379 D CA 0.462 54.430 54.000 -0.053 0.000 0.907 379 D CB 0.014 40.790 40.800 -0.040 0.000 0.899 379 D HN 0.127 nan 8.370 nan 0.000 0.527 380 R N -0.004 120.467 120.500 -0.047 0.000 2.297 380 R HA 0.207 4.547 4.340 0.000 0.000 0.197 380 R C 1.359 177.629 176.300 -0.051 0.000 0.943 380 R CA 0.127 56.202 56.100 -0.041 0.000 1.038 380 R CB 0.163 30.443 30.300 -0.034 0.000 0.957 380 R HN 0.282 nan 8.270 nan 0.000 0.484 381 V N -0.131 119.738 119.914 -0.075 0.000 2.908 381 V HA -0.073 4.047 4.120 0.000 0.000 0.240 381 V C 2.188 178.182 176.094 -0.167 0.000 1.117 381 V CA 1.727 63.963 62.300 -0.107 0.000 1.133 381 V CB 0.263 32.019 31.823 -0.112 0.000 0.857 381 V HN 0.325 nan 8.190 nan 0.000 0.478 382 T N -1.744 112.653 114.554 -0.261 0.000 2.951 382 T HA 0.264 4.614 4.350 0.000 0.000 0.268 382 T C 1.319 175.963 174.700 -0.094 0.000 1.073 382 T CA 1.068 62.917 62.100 -0.418 0.000 1.134 382 T CB -0.166 68.323 68.868 -0.633 0.000 0.884 382 T HN 1.075 nan 8.240 nan 0.000 0.479 383 G N 2.050 110.818 108.800 -0.053 0.000 2.601 383 G HA2 -0.280 3.680 3.960 0.000 0.000 0.252 383 G HA3 -0.280 3.680 3.960 0.000 0.000 0.252 383 G C -0.334 174.572 174.900 0.010 0.000 1.294 383 G CA -0.229 44.875 45.100 0.007 0.000 0.912 383 G HN 0.748 nan 8.290 nan 0.000 0.574 384 N N 1.041 119.762 118.700 0.034 0.000 2.417 384 N HA 0.074 4.814 4.740 0.000 0.000 0.272 384 N C 2.005 177.550 175.510 0.058 0.000 1.304 384 N CA 0.630 53.699 53.050 0.032 0.000 0.906 384 N CB -0.038 38.468 38.487 0.033 0.000 1.135 384 N HN 0.484 nan 8.380 nan 0.000 0.483 385 I N 2.013 122.598 120.570 0.025 0.000 2.315 385 I HA -0.353 3.817 4.170 0.000 0.000 0.251 385 I C 2.104 178.281 176.117 0.100 0.000 1.125 385 I CA 1.244 62.567 61.300 0.038 0.000 1.392 385 I CB -0.359 37.629 38.000 -0.020 0.000 1.065 385 I HN 0.568 nan 8.210 nan 0.000 0.424 386 S N 0.485 116.223 115.700 0.063 0.000 2.481 386 S HA -0.081 4.389 4.470 0.000 0.000 0.231 386 S C 1.678 176.319 174.600 0.068 0.000 0.996 386 S CA 0.546 58.780 58.200 0.057 0.000 0.942 386 S CB -0.242 62.976 63.200 0.029 0.000 0.768 386 S HN 0.475 nan 8.310 nan 0.000 0.520 387 K N 0.111 120.561 120.400 0.084 0.000 2.358 387 K HA 0.281 4.601 4.320 0.000 0.000 0.197 387 K C -0.306 176.355 176.600 0.101 0.000 1.025 387 K CA -0.444 55.884 56.287 0.068 0.000 1.104 387 K CB 0.093 32.621 32.500 0.047 0.000 0.855 387 K HN 0.392 nan 8.250 nan 0.000 0.531 388 F N 2.600 122.544 119.950 -0.009 0.000 2.495 388 F HA 0.171 4.698 4.527 0.000 0.000 0.365 388 F C 0.621 176.420 175.800 -0.001 0.000 1.090 388 F CA -0.615 57.380 58.000 -0.008 0.000 1.235 388 F CB 0.293 39.294 39.000 0.003 0.000 1.119 388 F HN 0.242 nan 8.300 nan 0.000 0.562 389 A N 6.702 129.048 122.820 -0.791 0.000 2.312 389 A HA -0.195 4.125 4.320 0.000 0.000 0.286 389 A C -1.657 175.770 177.584 -0.262 0.000 1.425 389 A CA 0.545 52.207 52.037 -0.624 0.000 0.748 389 A CB -1.845 16.610 19.000 -0.908 0.000 1.126 389 A HN 0.694 nan 8.150 nan 0.000 0.368 390 P HA -0.169 nan 4.420 nan 0.000 0.218 390 P C 1.195 178.458 177.300 -0.063 0.000 1.149 390 P CA 1.354 64.410 63.100 -0.072 0.000 0.817 390 P CB 0.200 31.875 31.700 -0.042 0.000 0.785 391 E N 0.012 120.171 120.200 -0.067 0.000 2.152 391 E HA -0.055 4.295 4.350 0.000 0.000 0.192 391 E C 2.170 178.731 176.600 -0.066 0.000 0.983 391 E CA 1.114 57.483 56.400 -0.052 0.000 0.818 391 E CB -0.614 29.064 29.700 -0.036 0.000 0.758 391 E HN 0.222 nan 8.360 nan 0.000 0.467 392 A N 1.380 124.147 122.820 -0.088 0.000 1.929 392 A HA -0.137 4.183 4.320 0.000 0.000 0.216 392 A C 2.482 180.037 177.584 -0.049 0.000 1.176 392 A CA 2.080 54.074 52.037 -0.071 0.000 0.628 392 A CB -0.644 18.306 19.000 -0.085 0.000 0.816 392 A HN 0.278 nan 8.150 nan 0.000 0.444 393 R N 0.152 120.621 120.500 -0.051 0.000 2.092 393 R HA -0.037 4.303 4.340 0.000 0.000 0.231 393 R C 2.291 178.576 176.300 -0.025 0.000 1.119 393 R CA 1.818 57.901 56.100 -0.029 0.000 0.970 393 R CB -1.008 29.278 30.300 -0.023 0.000 0.864 393 R HN 0.696 nan 8.270 nan 0.000 0.440 394 R N -0.258 120.224 120.500 -0.030 0.000 2.075 394 R HA 0.018 4.358 4.340 0.000 0.000 0.232 394 R C 2.604 178.888 176.300 -0.027 0.000 1.126 394 R CA 1.483 57.569 56.100 -0.024 0.000 0.963 394 R CB -0.479 29.806 30.300 -0.024 0.000 0.858 394 R HN 0.469 nan 8.270 nan 0.000 0.435 395 A N 0.656 123.455 122.820 -0.035 0.000 1.933 395 A HA -0.108 4.212 4.320 0.000 0.000 0.218 395 A C 2.328 179.895 177.584 -0.027 0.000 1.175 395 A CA 1.687 53.702 52.037 -0.036 0.000 0.628 395 A CB -0.750 18.221 19.000 -0.049 0.000 0.814 395 A HN 0.543 nan 8.150 nan 0.000 0.444 396 A N -0.196 122.611 122.820 -0.022 0.000 1.930 396 A HA 0.205 4.525 4.320 0.000 0.000 0.217 396 A C 2.478 180.054 177.584 -0.014 0.000 1.175 396 A CA 1.878 53.905 52.037 -0.016 0.000 0.627 396 A CB -0.950 18.043 19.000 -0.011 0.000 0.815 396 A HN 1.058 nan 8.150 nan 0.000 0.443 397 A N -0.152 122.659 122.820 -0.014 0.000 1.972 397 A HA -0.147 4.173 4.320 0.000 0.000 0.219 397 A C 1.687 179.263 177.584 -0.012 0.000 1.169 397 A CA 1.579 53.609 52.037 -0.012 0.000 0.635 397 A CB -0.380 18.613 19.000 -0.011 0.000 0.810 397 A HN 0.624 nan 8.150 nan 0.000 0.446 398 E N -1.134 119.057 120.200 -0.015 0.000 2.419 398 E HA 0.317 4.667 4.350 0.000 0.000 0.190 398 E C 0.865 177.456 176.600 -0.015 0.000 1.040 398 E CA 0.113 56.504 56.400 -0.015 0.000 0.900 398 E CB -0.134 29.556 29.700 -0.017 0.000 1.054 398 E HN 0.654 nan 8.360 nan 0.000 0.462 399 G N 2.996 111.787 108.800 -0.015 0.000 2.321 399 G HA2 -0.362 3.598 3.960 0.000 0.000 0.287 399 G HA3 -0.362 3.598 3.960 0.000 0.000 0.287 399 G C 0.685 175.574 174.900 -0.018 0.000 1.018 399 G CA 1.017 46.108 45.100 -0.015 0.000 0.855 399 G HN 0.467 nan 8.290 nan 0.000 0.507 400 R N -1.200 119.287 120.500 -0.023 0.000 2.629 400 R HA 0.568 4.908 4.340 0.000 0.000 0.408 400 R C 0.810 177.089 176.300 -0.035 0.000 1.057 400 R CA 0.359 56.442 56.100 -0.028 0.000 1.119 400 R CB 0.543 30.824 30.300 -0.031 0.000 1.403 400 R HN 1.202 nan 8.270 nan 0.000 0.576 401 G N -0.955 107.828 108.800 -0.029 0.000 2.399 401 G HA2 0.435 4.395 3.960 0.000 0.000 0.256 401 G HA3 0.435 4.395 3.960 0.000 0.000 0.256 401 G C -0.342 174.548 174.900 -0.016 0.000 1.236 401 G CA -0.081 45.002 45.100 -0.028 0.000 0.914 401 G HN 0.544 nan 8.290 nan 0.000 0.482 402 G N -1.099 107.695 108.800 -0.011 0.000 2.317 402 G HA2 0.307 4.267 3.960 0.000 0.000 0.196 402 G HA3 0.307 4.267 3.960 0.000 0.000 0.196 402 G C -1.148 173.775 174.900 0.038 0.000 1.255 402 G CA -0.090 45.013 45.100 0.004 0.000 1.243 402 G HN 1.344 nan 8.290 nan 0.000 0.535 403 I N 1.222 121.828 120.570 0.061 0.000 2.466 403 I HA 0.533 4.703 4.170 0.000 0.000 0.289 403 I C -0.299 175.892 176.117 0.123 0.000 1.026 403 I CA -0.664 60.711 61.300 0.125 0.000 1.078 403 I CB 1.883 39.981 38.000 0.162 0.000 1.249 403 I HN 0.381 nan 8.210 nan 0.000 0.429 404 I N 5.102 125.770 120.570 0.163 0.000 2.412 404 I HA 0.341 4.511 4.170 0.000 0.000 0.296 404 I C -0.329 175.942 176.117 0.256 0.000 0.987 404 I CA -0.482 60.895 61.300 0.129 0.000 1.180 404 I CB 1.511 39.582 38.000 0.118 0.000 1.340 404 I HN 0.582 nan 8.210 nan 0.000 0.455 405 H N 6.211 125.295 119.070 0.023 0.000 2.970 405 H HA 0.358 4.914 4.556 0.000 0.000 0.315 405 H C -1.431 173.876 175.328 -0.035 0.000 0.992 405 H CA -0.783 55.333 56.048 0.113 0.000 1.363 405 H CB 1.020 30.875 29.762 0.154 0.000 1.532 405 H HN 0.393 nan 8.280 nan 0.000 0.514 406 F N 3.848 123.862 119.950 0.107 0.000 2.423 406 F HA 0.140 4.667 4.527 0.000 0.000 0.356 406 F C 0.330 176.023 175.800 -0.178 0.000 1.170 406 F CA -0.290 57.684 58.000 -0.044 0.000 1.163 406 F CB 0.639 39.633 39.000 -0.010 0.000 1.318 406 F HN 0.549 nan 8.300 nan 0.000 0.569 407 E N 2.090 122.151 120.200 -0.232 0.000 2.248 407 E HA 0.361 4.711 4.350 0.000 0.000 0.267 407 E C -0.319 176.207 176.600 -0.123 0.000 0.877 407 E CA -0.520 55.706 56.400 -0.291 0.000 0.759 407 E CB 2.047 31.336 29.700 -0.685 0.000 1.182 407 E HN 0.252 nan 8.360 nan 0.000 0.418 408 V N 2.876 122.753 119.914 -0.063 0.000 2.878 408 V HA 0.188 4.308 4.120 0.000 0.000 0.250 408 V C 0.450 176.527 176.094 -0.029 0.000 1.075 408 V CA 1.296 63.580 62.300 -0.026 0.000 1.096 408 V CB 0.360 32.180 31.823 -0.005 0.000 0.724 408 V HN 0.574 nan 8.190 nan 0.000 0.467 409 S N -0.133 115.544 115.700 -0.039 0.000 2.429 409 S HA 0.423 4.893 4.470 0.000 0.000 0.302 409 S C -1.548 173.038 174.600 -0.024 0.000 1.115 409 S CA -1.229 56.954 58.200 -0.028 0.000 1.095 409 S CB 1.575 64.757 63.200 -0.030 0.000 0.987 409 S HN 0.229 nan 8.310 nan 0.000 0.474 410 P HA -0.101 nan 4.420 nan 0.000 0.220 410 P C 0.908 178.209 177.300 0.003 0.000 1.148 410 P CA 0.973 64.069 63.100 -0.007 0.000 0.803 410 P CB 0.044 31.741 31.700 -0.004 0.000 0.782 411 K N -1.482 118.921 120.400 0.005 0.000 2.439 411 K HA 0.015 4.335 4.320 0.000 0.000 0.197 411 K C 0.865 177.480 176.600 0.025 0.000 1.041 411 K CA 1.069 57.365 56.287 0.014 0.000 0.970 411 K CB -0.423 32.087 32.500 0.016 0.000 0.773 411 K HN -0.012 nan 8.250 nan 0.000 0.479 412 N N 0.657 119.377 118.700 0.034 0.000 2.214 412 N HA 0.233 4.973 4.740 0.000 0.000 0.214 412 N C -0.684 174.909 175.510 0.137 0.000 1.132 412 N CA -0.044 53.057 53.050 0.084 0.000 0.856 412 N CB 0.519 39.068 38.487 0.103 0.000 1.020 412 N HN 0.186 nan 8.380 nan 0.000 0.509 413 I N 1.248 121.860 120.570 0.071 0.000 2.315 413 I HA 0.108 4.278 4.170 0.000 0.000 0.291 413 I C -0.004 176.146 176.117 0.055 0.000 1.006 413 I CA -0.370 60.981 61.300 0.086 0.000 1.265 413 I CB 0.569 38.581 38.000 0.020 0.000 1.387 413 I HN 0.040 nan 8.210 nan 0.000 0.475 414 N N 4.586 123.312 118.700 0.042 0.000 2.735 414 N HA -0.202 4.538 4.740 0.000 0.000 0.248 414 N C 0.936 176.424 175.510 -0.037 0.000 1.083 414 N CA 0.763 53.797 53.050 -0.026 0.000 0.703 414 N CB -0.628 37.854 38.487 -0.010 0.000 1.005 414 N HN 0.660 nan 8.380 nan 0.000 0.550 415 K N 0.205 120.583 120.400 -0.037 0.000 2.202 415 K HA 0.105 4.425 4.320 0.000 0.000 0.201 415 K C 1.423 177.987 176.600 -0.059 0.000 1.051 415 K CA 1.055 57.325 56.287 -0.028 0.000 0.977 415 K CB 0.491 32.996 32.500 0.008 0.000 0.792 415 K HN 0.093 nan 8.250 nan 0.000 0.469 416 V N 0.840 120.681 119.914 -0.121 0.000 2.806 416 V HA 0.059 4.179 4.120 0.000 0.000 0.239 416 V C 0.832 176.818 176.094 -0.180 0.000 1.113 416 V CA 0.366 62.581 62.300 -0.141 0.000 1.137 416 V CB 1.040 32.776 31.823 -0.145 0.000 0.865 416 V HN 0.156 nan 8.190 nan 0.000 0.482 417 V N -1.289 118.447 119.914 -0.297 0.000 2.962 417 V HA 0.581 4.701 4.120 0.000 0.000 0.313 417 V C -0.563 175.413 176.094 -0.196 0.000 1.099 417 V CA -0.953 61.212 62.300 -0.224 0.000 0.971 417 V CB 1.763 33.444 31.823 -0.236 0.000 1.028 417 V HN 0.418 nan 8.190 nan 0.000 0.430 418 Q N 2.305 122.044 119.800 -0.101 0.000 2.293 418 Q HA 0.489 4.829 4.340 0.000 0.000 0.263 418 Q C 0.014 175.976 176.000 -0.062 0.000 1.002 418 Q CA 0.030 55.793 55.803 -0.067 0.000 0.910 418 Q CB 1.034 29.752 28.738 -0.034 0.000 1.185 418 Q HN 1.118 nan 8.270 nan 0.000 0.401 419 T N 1.273 115.797 114.554 -0.049 0.000 2.895 419 T HA 0.254 4.604 4.350 0.000 0.000 0.283 419 T C 0.512 175.214 174.700 0.003 0.000 1.014 419 T CA -0.755 61.336 62.100 -0.014 0.000 1.037 419 T CB 1.738 70.617 68.868 0.019 0.000 1.006 419 T HN 0.629 nan 8.240 nan 0.000 0.468 420 Q N 1.074 120.881 119.800 0.011 0.000 2.137 420 Q HA 0.399 4.739 4.340 0.000 0.000 0.198 420 Q C 0.063 176.057 176.000 -0.010 0.000 0.960 420 Q CA 1.193 56.997 55.803 0.001 0.000 0.847 420 Q CB -0.043 28.695 28.738 0.000 0.000 0.915 420 Q HN 0.771 nan 8.270 nan 0.000 0.448 421 I N -0.036 120.525 120.570 -0.014 0.000 2.548 421 I HA 0.523 4.693 4.170 0.000 0.000 0.287 421 I C -1.328 174.743 176.117 -0.076 0.000 1.103 421 I CA -1.114 60.151 61.300 -0.058 0.000 1.049 421 I CB 2.119 40.064 38.000 -0.092 0.000 1.232 421 I HN -0.171 nan 8.210 nan 0.000 0.429 422 A N 6.327 129.095 122.820 -0.088 0.000 2.271 422 A HA 0.750 5.070 4.320 0.000 0.000 0.317 422 A C -0.569 176.878 177.584 -0.227 0.000 1.245 422 A CA -0.487 51.484 52.037 -0.109 0.000 0.857 422 A CB 1.054 20.036 19.000 -0.030 0.000 1.175 422 A HN 0.450 nan 8.150 nan 0.000 0.512 423 V N 4.210 123.896 119.914 -0.380 0.000 2.294 423 V HA 0.179 4.299 4.120 0.000 0.000 0.272 423 V C 0.165 176.116 176.094 -0.239 0.000 1.027 423 V CA -0.399 61.643 62.300 -0.430 0.000 0.823 423 V CB 0.512 31.809 31.823 -0.876 0.000 1.030 423 V HN 0.968 nan 8.190 nan 0.000 0.457 424 E N 3.216 123.345 120.200 -0.119 0.000 2.354 424 E HA 0.604 4.954 4.350 0.000 0.000 0.269 424 E C 0.698 177.296 176.600 -0.002 0.000 1.036 424 E CA 0.508 56.885 56.400 -0.037 0.000 0.876 424 E CB 1.421 31.146 29.700 0.041 0.000 1.009 424 E HN 0.961 nan 8.360 nan 0.000 0.416 425 G N 2.533 111.339 108.800 0.010 0.000 2.422 425 G HA2 -0.189 3.771 3.960 0.000 0.000 0.607 425 G HA3 -0.189 3.771 3.960 0.000 0.000 0.607 425 G C -1.139 173.790 174.900 0.048 0.000 1.270 425 G CA -0.683 44.436 45.100 0.032 0.000 0.992 425 G HN 0.680 nan 8.290 nan 0.000 0.499 426 D N 0.538 120.971 120.400 0.055 0.000 2.434 426 D HA 0.544 5.184 4.640 0.000 0.000 0.252 426 D C 1.508 177.847 176.300 0.064 0.000 1.185 426 D CA 1.241 55.278 54.000 0.061 0.000 0.886 426 D CB 1.097 41.942 40.800 0.076 0.000 1.148 426 D HN 1.059 nan 8.370 nan 0.000 0.483 427 A N 3.303 126.161 122.820 0.064 0.000 1.865 427 A HA -0.213 4.107 4.320 0.000 0.000 0.217 427 A C 2.175 179.714 177.584 -0.076 0.000 1.191 427 A CA 2.044 54.111 52.037 0.050 0.000 0.623 427 A CB -0.985 18.018 19.000 0.005 0.000 0.826 427 A HN 0.698 nan 8.150 nan 0.000 0.444 428 T N -0.053 114.435 114.554 -0.110 0.000 2.652 428 T HA -0.158 4.192 4.350 0.000 0.000 0.267 428 T C 2.023 176.583 174.700 -0.233 0.000 1.039 428 T CA 2.092 64.061 62.100 -0.219 0.000 1.153 428 T CB -0.753 67.895 68.868 -0.367 0.000 0.863 428 T HN 0.590 nan 8.240 nan 0.000 0.428 429 T N 2.607 117.039 114.554 -0.203 0.000 2.684 429 T HA -0.127 4.223 4.350 0.000 0.000 0.267 429 T C 1.996 176.674 174.700 -0.037 0.000 1.036 429 T CA 1.162 63.190 62.100 -0.120 0.000 1.148 429 T CB -0.391 68.454 68.868 -0.039 0.000 0.863 429 T HN 0.325 nan 8.240 nan 0.000 0.436 430 N N 1.081 119.797 118.700 0.027 0.000 2.244 430 N HA 0.076 4.816 4.740 0.000 0.000 0.183 430 N C 1.853 177.417 175.510 0.091 0.000 1.016 430 N CA 0.608 53.731 53.050 0.123 0.000 0.866 430 N CB -0.389 38.280 38.487 0.303 0.000 0.980 430 N HN 0.364 nan 8.380 nan 0.000 0.430 431 L N 0.154 121.332 121.223 -0.075 0.000 2.093 431 L HA -0.035 4.305 4.340 0.000 0.000 0.208 431 L C 2.411 179.239 176.870 -0.070 0.000 1.085 431 L CA 1.129 55.872 54.840 -0.162 0.000 0.755 431 L CB -0.784 41.114 42.059 -0.268 0.000 0.904 431 L HN 0.183 nan 8.230 nan 0.000 0.435 432 G N 0.163 108.923 108.800 -0.067 0.000 2.418 432 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 432 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 432 G C 1.685 176.579 174.900 -0.010 0.000 1.158 432 G CA 0.497 45.571 45.100 -0.042 0.000 0.771 432 G HN 0.308 nan 8.290 nan 0.000 0.545 433 K N -0.608 119.794 120.400 0.003 0.000 2.217 433 K HA 0.163 4.483 4.320 0.000 0.000 0.202 433 K C 2.336 178.952 176.600 0.026 0.000 1.051 433 K CA 0.842 57.139 56.287 0.017 0.000 0.952 433 K CB -0.122 32.392 32.500 0.023 0.000 0.736 433 K HN 0.360 nan 8.250 nan 0.000 0.453 434 M N 0.145 119.768 119.600 0.038 0.000 2.388 434 M HA -0.040 4.440 4.480 0.000 0.000 0.265 434 M C 1.971 178.287 176.300 0.027 0.000 1.088 434 M CA 0.703 56.030 55.300 0.044 0.000 1.134 434 M CB 0.123 32.783 32.600 0.100 0.000 1.384 434 M HN 0.043 nan 8.290 nan 0.000 0.447 435 M N 0.920 120.530 119.600 0.017 0.000 2.151 435 M HA -0.271 4.209 4.480 0.000 0.000 0.256 435 M C 2.296 178.617 176.300 0.035 0.000 1.072 435 M CA 2.760 58.072 55.300 0.019 0.000 1.090 435 M CB -0.702 31.905 32.600 0.013 0.000 1.294 435 M HN 0.527 nan 8.290 nan 0.000 0.415 436 S N -1.107 114.616 115.700 0.038 0.000 2.440 436 S HA -0.182 4.288 4.470 0.000 0.000 0.238 436 S C 1.689 176.333 174.600 0.074 0.000 1.010 436 S CA 1.535 59.767 58.200 0.054 0.000 0.972 436 S CB -0.737 62.490 63.200 0.045 0.000 0.774 436 S HN 0.661 nan 8.310 nan 0.000 0.501 437 K N 0.294 120.723 120.400 0.049 0.000 2.426 437 K HA 0.275 4.595 4.320 0.000 0.000 0.193 437 K C -0.155 176.427 176.600 -0.030 0.000 1.028 437 K CA 0.004 56.312 56.287 0.034 0.000 1.047 437 K CB 0.109 32.604 32.500 -0.007 0.000 0.821 437 K HN 0.364 nan 8.250 nan 0.000 0.513 438 I N 2.011 122.585 120.570 0.006 0.000 2.371 438 I HA 0.104 4.274 4.170 0.000 0.000 0.290 438 I C 0.187 176.392 176.117 0.147 0.000 1.028 438 I CA -0.443 60.841 61.300 -0.026 0.000 1.345 438 I CB -0.189 37.818 38.000 0.011 0.000 1.407 438 I HN -0.028 nan 8.210 nan 0.000 0.501 439 F N 6.980 126.942 119.950 0.020 0.000 2.504 439 F HA 0.184 4.711 4.527 0.000 0.000 0.369 439 F C -1.585 174.225 175.800 0.017 0.000 1.082 439 F CA -1.941 56.068 58.000 0.015 0.000 1.216 439 F CB 0.411 39.417 39.000 0.010 0.000 1.108 439 F HN 0.229 nan 8.300 nan 0.000 0.554 440 P HA 0.052 nan 4.420 nan 0.000 0.268 440 P C -0.895 176.464 177.300 0.098 0.000 1.204 440 P CA -0.021 63.148 63.100 0.115 0.000 0.768 440 P CB 0.915 32.659 31.700 0.074 0.000 0.842 441 V N 4.548 124.508 119.914 0.077 0.000 2.417 441 V HA 0.183 4.303 4.120 0.000 0.000 0.291 441 V C 1.561 177.666 176.094 0.019 0.000 1.024 441 V CA -0.295 62.034 62.300 0.049 0.000 0.861 441 V CB 1.473 33.324 31.823 0.046 0.000 0.985 441 V HN 0.572 nan 8.190 nan 0.000 0.436 442 K N 3.750 124.150 120.400 0.000 0.000 2.025 442 K HA -0.037 4.283 4.320 0.000 0.000 0.207 442 K C 0.549 177.121 176.600 -0.046 0.000 1.049 442 K CA 1.680 57.959 56.287 -0.014 0.000 0.933 442 K CB 0.345 32.835 32.500 -0.016 0.000 0.714 442 K HN 0.918 nan 8.250 nan 0.000 0.438 443 E N -1.828 118.321 120.200 -0.085 0.000 2.417 443 E HA 0.207 4.557 4.350 0.000 0.000 0.280 443 E C -1.280 175.181 176.600 -0.232 0.000 1.112 443 E CA -0.973 55.317 56.400 -0.184 0.000 0.863 443 E CB 0.847 30.460 29.700 -0.146 0.000 1.346 443 E HN -0.015 nan 8.360 nan 0.000 0.443 444 R N 1.122 121.356 120.500 -0.444 0.000 2.653 444 R HA 0.299 4.639 4.340 0.000 0.000 0.269 444 R C 0.094 176.224 176.300 -0.283 0.000 1.603 444 R CA -0.164 55.744 56.100 -0.320 0.000 1.671 444 R CB 1.056 31.184 30.300 -0.286 0.000 1.300 444 R HN 0.519 nan 8.270 nan 0.000 0.668 445 S N 1.222 116.833 115.700 -0.148 0.000 2.369 445 S HA -0.269 4.201 4.470 0.000 0.000 0.225 445 S C 1.691 176.316 174.600 0.042 0.000 1.043 445 S CA 1.704 59.876 58.200 -0.048 0.000 1.074 445 S CB 0.051 63.235 63.200 -0.027 0.000 0.962 445 S HN 0.575 nan 8.310 nan 0.000 0.433 446 E N -0.001 120.236 120.200 0.061 0.000 2.031 446 E HA -0.179 4.171 4.350 0.000 0.000 0.193 446 E C 1.917 178.646 176.600 0.214 0.000 0.994 446 E CA 1.117 57.578 56.400 0.101 0.000 0.800 446 E CB -0.253 29.496 29.700 0.082 0.000 0.752 446 E HN 0.713 nan 8.360 nan 0.000 0.447 447 W N 0.219 121.534 121.300 0.026 0.000 2.333 447 W HA -0.260 4.400 4.660 0.000 0.000 0.316 447 W C 1.805 178.457 176.519 0.222 0.000 1.215 447 W CA 1.045 58.453 57.345 0.105 0.000 1.278 447 W CB -0.344 29.213 29.460 0.162 0.000 1.154 447 W HN 0.135 nan 8.180 nan 0.000 0.486 448 F N 0.441 120.383 119.950 -0.014 0.000 2.234 448 F HA -0.202 4.325 4.527 0.000 0.000 0.299 448 F C 2.685 178.381 175.800 -0.175 0.000 1.087 448 F CA 0.743 58.645 58.000 -0.164 0.000 1.340 448 F CB -0.713 38.253 39.000 -0.056 0.000 1.031 448 F HN -0.078 nan 8.300 nan 0.000 0.500 449 A N -0.166 122.703 122.820 0.082 0.000 1.877 449 A HA -0.287 4.033 4.320 0.000 0.000 0.216 449 A C 1.972 179.456 177.584 -0.167 0.000 1.186 449 A CA 1.841 53.863 52.037 -0.025 0.000 0.620 449 A CB -0.813 18.183 19.000 -0.008 0.000 0.822 449 A HN 0.346 nan 8.150 nan 0.000 0.443 450 Q N 0.222 119.874 119.800 -0.246 0.000 2.084 450 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 450 Q C 1.719 177.217 176.000 -0.836 0.000 0.978 450 Q CA 1.917 57.376 55.803 -0.573 0.000 0.844 450 Q CB -0.516 27.900 28.738 -0.537 0.000 0.898 450 Q HN 0.694 nan 8.270 nan 0.000 0.426 451 I N 0.379 120.586 120.570 -0.605 0.000 2.252 451 I HA -0.257 3.913 4.170 0.000 0.000 0.245 451 I C 1.741 177.752 176.117 -0.177 0.000 1.102 451 I CA 0.988 62.058 61.300 -0.382 0.000 1.385 451 I CB -0.379 37.321 38.000 -0.501 0.000 1.064 451 I HN 0.256 nan 8.210 nan 0.000 0.414 452 N N 1.278 119.867 118.700 -0.185 0.000 2.244 452 N HA -0.163 4.577 4.740 0.000 0.000 0.183 452 N C 2.062 177.538 175.510 -0.058 0.000 1.016 452 N CA 1.746 54.739 53.050 -0.095 0.000 0.866 452 N CB -0.286 38.158 38.487 -0.071 0.000 0.980 452 N HN 0.390 nan 8.380 nan 0.000 0.430 453 K N 0.874 121.200 120.400 -0.123 0.000 2.057 453 K HA -0.104 4.216 4.320 0.000 0.000 0.207 453 K C 1.879 178.525 176.600 0.076 0.000 1.049 453 K CA 1.125 57.364 56.287 -0.080 0.000 0.931 453 K CB -1.277 31.114 32.500 -0.182 0.000 0.714 453 K HN 0.208 nan 8.250 nan 0.000 0.440 454 W N 1.284 122.611 121.300 0.046 0.000 2.358 454 W HA -0.030 4.630 4.660 0.000 0.000 0.303 454 W C 2.187 178.779 176.519 0.121 0.000 1.208 454 W CA 1.154 58.590 57.345 0.152 0.000 1.274 454 W CB -0.546 28.964 29.460 0.083 0.000 1.138 454 W HN 0.372 nan 8.180 nan 0.000 0.515 455 K N 0.356 120.896 120.400 0.234 0.000 2.032 455 K HA -0.203 4.117 4.320 0.000 0.000 0.209 455 K C 2.411 179.052 176.600 0.068 0.000 1.048 455 K CA 2.584 58.929 56.287 0.097 0.000 0.927 455 K CB -0.441 32.069 32.500 0.015 0.000 0.712 455 K HN 0.094 nan 8.250 nan 0.000 0.441 456 K N 1.529 121.959 120.400 0.050 0.000 2.211 456 K HA -0.146 4.174 4.320 0.000 0.000 0.203 456 K C 1.699 178.294 176.600 -0.009 0.000 1.050 456 K CA 1.687 57.982 56.287 0.015 0.000 0.945 456 K CB -0.409 32.092 32.500 0.001 0.000 0.732 456 K HN 0.389 nan 8.250 nan 0.000 0.451 457 E N -1.627 118.567 120.200 -0.011 0.000 2.250 457 E HA 0.027 4.377 4.350 0.000 0.000 0.192 457 E C -0.385 175.972 176.600 -0.406 0.000 0.986 457 E CA 0.257 56.523 56.400 -0.223 0.000 0.849 457 E CB 0.240 29.766 29.700 -0.291 0.000 0.797 457 E HN 0.736 nan 8.360 nan 0.000 0.482 458 Y N 0.554 120.897 120.300 0.071 0.000 2.495 458 Y HA 0.354 4.904 4.550 0.000 0.000 0.362 458 Y C -2.335 173.535 175.900 -0.051 0.000 0.956 458 Y CA -2.343 55.772 58.100 0.025 0.000 1.127 458 Y CB 0.734 39.174 38.460 -0.033 0.000 1.173 458 Y HN 0.057 nan 8.280 nan 0.000 0.639 459 P HA 0.018 nan 4.420 nan 0.000 0.275 459 P C -0.512 176.852 177.300 0.106 0.000 1.266 459 P CA -0.228 62.895 63.100 0.038 0.000 0.793 459 P CB 0.709 32.451 31.700 0.070 0.000 1.074 460 Y N -0.127 120.246 120.300 0.121 0.000 2.603 460 Y HA 0.277 4.827 4.550 0.000 0.000 0.341 460 Y C 1.050 177.107 175.900 0.261 0.000 1.272 460 Y CA -0.949 57.245 58.100 0.157 0.000 1.891 460 Y CB -0.687 37.808 38.460 0.059 0.000 1.910 460 Y HN 0.268 nan 8.280 nan 0.000 0.432 461 A N 2.866 125.880 122.820 0.323 0.000 2.351 461 A HA 0.557 4.877 4.320 0.000 0.000 0.257 461 A C -0.823 176.659 177.584 -0.170 0.000 1.087 461 A CA -0.122 51.989 52.037 0.123 0.000 0.798 461 A CB 0.238 19.366 19.000 0.213 0.000 1.033 461 A HN 0.720 nan 8.150 nan 0.000 0.488 462 Y N -1.527 118.314 120.300 -0.764 0.000 2.713 462 Y HA 0.596 5.146 4.550 0.000 0.000 0.335 462 Y C -0.825 174.492 175.900 -0.971 0.000 1.222 462 Y CA -1.594 55.739 58.100 -1.279 0.000 1.061 462 Y CB 0.955 39.083 38.460 -0.554 0.000 1.314 462 Y HN 0.558 nan 8.280 nan 0.000 0.453 463 M N 3.092 122.395 119.600 -0.496 0.000 2.266 463 M HA 0.252 4.732 4.480 0.000 0.000 0.340 463 M C -0.661 175.575 176.300 -0.106 0.000 1.486 463 M CA 0.423 55.692 55.300 -0.051 0.000 1.209 463 M CB -0.294 32.433 32.600 0.212 0.000 1.714 463 M HN 0.669 nan 8.290 nan 0.000 0.459 464 E N 2.264 122.294 120.200 -0.284 0.000 2.391 464 E HA 0.099 4.449 4.350 0.000 0.000 0.255 464 E C -0.301 176.261 176.600 -0.064 0.000 1.187 464 E CA -0.439 55.823 56.400 -0.229 0.000 0.941 464 E CB 0.509 30.024 29.700 -0.309 0.000 1.010 464 E HN 0.553 nan 8.360 nan 0.000 0.458 465 E N 0.574 120.752 120.200 -0.036 0.000 2.422 465 E HA 0.050 4.400 4.350 0.000 0.000 0.260 465 E C -0.401 176.186 176.600 -0.021 0.000 1.108 465 E CA 0.454 56.842 56.400 -0.020 0.000 0.943 465 E CB 0.602 30.288 29.700 -0.022 0.000 0.961 465 E HN 0.453 nan 8.360 nan 0.000 0.443 466 T N -0.994 113.554 114.554 -0.009 0.000 2.896 466 T HA 0.535 4.885 4.350 0.000 0.000 0.297 466 T C -2.740 171.957 174.700 -0.004 0.000 1.108 466 T CA -2.590 59.507 62.100 -0.006 0.000 1.004 466 T CB 1.492 70.362 68.868 0.004 0.000 1.159 466 T HN 0.051 nan 8.240 nan 0.000 0.499 467 P HA 0.221 nan 4.420 nan 0.000 0.257 467 P C 1.241 178.541 177.300 -0.000 0.000 1.162 467 P CA 1.767 64.864 63.100 -0.004 0.000 0.762 467 P CB -0.138 31.559 31.700 -0.004 0.000 0.753 468 G N 2.282 111.081 108.800 -0.002 0.000 2.267 468 G HA2 -0.286 3.674 3.960 0.000 0.000 0.257 468 G HA3 -0.286 3.674 3.960 0.000 0.000 0.257 468 G C 0.515 175.418 174.900 0.004 0.000 0.998 468 G CA 0.330 45.431 45.100 0.001 0.000 0.620 468 G HN 0.829 nan 8.290 nan 0.000 0.529 469 S N 0.535 116.239 115.700 0.005 0.000 2.576 469 S HA 0.514 4.984 4.470 0.000 0.000 0.272 469 S C 0.578 175.180 174.600 0.004 0.000 1.352 469 S CA 0.504 58.710 58.200 0.010 0.000 1.021 469 S CB 1.095 64.302 63.200 0.013 0.000 0.887 469 S HN 0.596 nan 8.310 nan 0.000 0.542 470 K N 0.850 121.255 120.400 0.008 0.000 2.230 470 K HA 0.276 4.596 4.320 0.000 0.000 0.253 470 K C 0.002 176.591 176.600 -0.018 0.000 1.008 470 K CA -0.253 56.033 56.287 -0.001 0.000 0.910 470 K CB 0.185 32.691 32.500 0.009 0.000 0.994 470 K HN 0.569 nan 8.250 nan 0.000 0.495 471 I N 2.400 122.950 120.570 -0.033 0.000 2.648 471 I HA -0.041 4.129 4.170 0.000 0.000 0.284 471 I C 0.494 176.558 176.117 -0.087 0.000 1.153 471 I CA 0.029 61.295 61.300 -0.056 0.000 1.426 471 I CB 0.394 38.355 38.000 -0.065 0.000 1.381 471 I HN 0.236 nan 8.210 nan 0.000 0.571 472 K N 8.521 128.854 120.400 -0.112 0.000 2.234 472 K HA 0.227 4.547 4.320 0.000 0.000 0.282 472 K C -1.575 174.818 176.600 -0.345 0.000 1.039 472 K CA -1.944 54.222 56.287 -0.201 0.000 0.928 472 K CB 0.895 33.325 32.500 -0.115 0.000 1.039 472 K HN 0.300 nan 8.250 nan 0.000 0.470 473 P HA -0.193 nan 4.420 nan 0.000 0.216 473 P C 0.612 177.505 177.300 -0.680 0.000 1.150 473 P CA 1.497 64.269 63.100 -0.545 0.000 0.837 473 P CB 0.484 31.762 31.700 -0.703 0.000 0.786 474 Q N -0.412 118.715 119.800 -1.121 0.000 2.124 474 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 474 Q C 2.358 177.847 176.000 -0.852 0.000 0.977 474 Q CA 2.155 57.203 55.803 -1.259 0.000 0.850 474 Q CB -1.535 25.878 28.738 -2.209 0.000 0.901 474 Q HN 0.252 nan 8.270 nan 0.000 0.429 475 T N 0.045 114.245 114.554 -0.590 0.000 2.746 475 T HA -0.110 4.240 4.350 0.000 0.000 0.267 475 T C 1.925 176.505 174.700 -0.201 0.000 1.039 475 T CA 1.250 63.200 62.100 -0.250 0.000 1.142 475 T CB -0.291 68.516 68.868 -0.102 0.000 0.866 475 T HN 0.049 nan 8.240 nan 0.000 0.444 476 V N 1.985 121.778 119.914 -0.202 0.000 2.287 476 V HA -0.157 3.963 4.120 0.000 0.000 0.248 476 V C 2.507 178.558 176.094 -0.072 0.000 1.053 476 V CA 1.252 63.480 62.300 -0.120 0.000 1.027 476 V CB -0.617 31.142 31.823 -0.108 0.000 0.646 476 V HN 0.430 nan 8.190 nan 0.000 0.447 477 I N 0.146 120.672 120.570 -0.072 0.000 2.163 477 I HA -0.241 3.929 4.170 0.000 0.000 0.243 477 I C 2.436 178.525 176.117 -0.047 0.000 1.085 477 I CA 1.801 63.132 61.300 0.052 0.000 1.347 477 I CB -1.262 36.806 38.000 0.113 0.000 1.044 477 I HN 0.393 nan 8.210 nan 0.000 0.408 478 K N 0.836 121.157 120.400 -0.131 0.000 2.057 478 K HA -0.179 4.141 4.320 0.000 0.000 0.207 478 K C 2.137 178.620 176.600 -0.195 0.000 1.049 478 K CA 1.333 57.522 56.287 -0.163 0.000 0.931 478 K CB -0.146 32.278 32.500 -0.128 0.000 0.714 478 K HN 0.314 nan 8.250 nan 0.000 0.440 479 K N 0.633 120.947 120.400 -0.143 0.000 2.057 479 K HA -0.120 4.200 4.320 0.000 0.000 0.206 479 K C 2.103 178.621 176.600 -0.137 0.000 1.050 479 K CA 0.846 57.059 56.287 -0.124 0.000 0.935 479 K CB -0.160 32.291 32.500 -0.082 0.000 0.715 479 K HN -0.004 nan 8.250 nan 0.000 0.439 480 L N 1.045 122.209 121.223 -0.098 0.000 2.093 480 L HA -0.143 4.197 4.340 0.000 0.000 0.208 480 L C 2.325 179.005 176.870 -0.316 0.000 1.085 480 L CA 1.652 56.471 54.840 -0.036 0.000 0.755 480 L CB -0.782 41.387 42.059 0.182 0.000 0.904 480 L HN 0.061 nan 8.230 nan 0.000 0.435 481 S N -0.629 114.625 115.700 -0.744 0.000 2.365 481 S HA -0.319 4.151 4.470 0.000 0.000 0.225 481 S C 2.233 176.329 174.600 -0.840 0.000 1.039 481 S CA 2.048 59.285 58.200 -1.605 0.000 1.033 481 S CB -0.348 61.969 63.200 -1.473 0.000 0.887 481 S HN 0.578 nan 8.310 nan 0.000 0.447 482 K N 0.069 120.178 120.400 -0.486 0.000 2.062 482 K HA -0.015 4.305 4.320 0.000 0.000 0.205 482 K C 1.984 178.463 176.600 -0.202 0.000 1.051 482 K CA 1.419 57.526 56.287 -0.300 0.000 0.941 482 K CB -0.269 32.105 32.500 -0.209 0.000 0.719 482 K HN 0.303 nan 8.250 nan 0.000 0.440 483 V N 1.459 121.279 119.914 -0.158 0.000 2.295 483 V HA -0.260 3.860 4.120 0.000 0.000 0.246 483 V C 2.458 178.520 176.094 -0.053 0.000 1.049 483 V CA 2.062 64.318 62.300 -0.075 0.000 1.024 483 V CB -0.714 31.097 31.823 -0.021 0.000 0.648 483 V HN 0.511 nan 8.190 nan 0.000 0.447 484 A N 0.509 123.297 122.820 -0.053 0.000 1.873 484 A HA -0.279 4.041 4.320 0.000 0.000 0.215 484 A C 2.075 179.653 177.584 -0.009 0.000 1.186 484 A CA 2.260 54.312 52.037 0.025 0.000 0.616 484 A CB -0.882 18.233 19.000 0.192 0.000 0.823 484 A HN 0.644 nan 8.150 nan 0.000 0.442 485 N N 0.468 119.111 118.700 -0.095 0.000 2.069 485 N HA -0.174 4.566 4.740 0.000 0.000 0.191 485 N C 0.938 176.416 175.510 -0.053 0.000 1.031 485 N CA 1.929 54.928 53.050 -0.084 0.000 0.852 485 N CB -0.351 38.032 38.487 -0.174 0.000 1.018 485 N HN 0.376 nan 8.380 nan 0.000 0.423 486 D N -1.021 119.340 120.400 -0.065 0.000 2.384 486 D HA -0.098 4.542 4.640 0.000 0.000 0.222 486 D C 1.589 177.876 176.300 -0.021 0.000 0.976 486 D CA 1.275 55.250 54.000 -0.043 0.000 0.915 486 D CB -0.553 40.218 40.800 -0.049 0.000 0.896 486 D HN 0.613 nan 8.370 nan 0.000 0.523 487 T N -2.977 111.571 114.554 -0.011 0.000 2.951 487 T HA 0.080 4.430 4.350 0.000 0.000 0.268 487 T C 1.867 176.574 174.700 0.011 0.000 1.073 487 T CA 1.226 63.327 62.100 0.002 0.000 1.134 487 T CB -0.046 68.827 68.868 0.008 0.000 0.884 487 T HN 0.213 nan 8.240 nan 0.000 0.479 488 G N 1.545 110.353 108.800 0.014 0.000 2.179 488 G HA2 -0.262 3.698 3.960 0.000 0.000 0.260 488 G HA3 -0.262 3.698 3.960 0.000 0.000 0.260 488 G C 0.243 175.170 174.900 0.046 0.000 0.977 488 G CA 0.137 45.252 45.100 0.025 0.000 0.641 488 G HN 0.729 nan 8.290 nan 0.000 0.533 489 R N -0.070 120.461 120.500 0.052 0.000 2.549 489 R HA 0.467 4.807 4.340 0.000 0.000 0.267 489 R C 0.286 176.657 176.300 0.118 0.000 1.045 489 R CA -0.766 55.382 56.100 0.080 0.000 1.115 489 R CB 0.593 30.932 30.300 0.064 0.000 1.121 489 R HN 0.375 nan 8.270 nan 0.000 0.543 490 H N 1.412 120.515 119.070 0.055 0.000 2.767 490 H HA 0.146 4.702 4.556 0.000 0.000 0.316 490 H C -1.035 174.346 175.328 0.088 0.000 1.059 490 H CA -0.082 56.010 56.048 0.073 0.000 1.461 490 H CB 0.648 30.448 29.762 0.064 0.000 1.475 490 H HN 0.102 nan 8.280 nan 0.000 0.531 491 V N 8.063 127.813 119.914 -0.274 0.000 2.459 491 V HA 0.299 4.419 4.120 0.000 0.000 0.295 491 V C 0.388 176.366 176.094 -0.193 0.000 1.029 491 V CA -0.664 61.563 62.300 -0.120 0.000 0.874 491 V CB 1.590 33.466 31.823 0.088 0.000 0.985 491 V HN 0.628 nan 8.190 nan 0.000 0.438 492 I N 4.482 125.011 120.570 -0.068 0.000 2.465 492 I HA 0.538 4.708 4.170 0.000 0.000 0.291 492 I C -0.823 175.298 176.117 0.006 0.000 1.014 492 I CA -0.832 60.465 61.300 -0.005 0.000 1.093 492 I CB 2.248 40.277 38.000 0.047 0.000 1.267 492 I HN 0.267 nan 8.210 nan 0.000 0.431 493 V N 4.524 124.465 119.914 0.045 0.000 2.448 493 V HA 0.514 4.634 4.120 0.000 0.000 0.295 493 V C 0.173 176.314 176.094 0.078 0.000 1.025 493 V CA -0.416 61.900 62.300 0.027 0.000 0.859 493 V CB 1.965 33.754 31.823 -0.057 0.000 0.988 493 V HN 0.891 nan 8.190 nan 0.000 0.431 494 T N 0.959 115.530 114.554 0.028 0.000 2.940 494 T HA 0.928 5.278 4.350 0.000 0.000 0.288 494 T C -0.213 174.518 174.700 0.052 0.000 1.045 494 T CA -0.241 61.849 62.100 -0.018 0.000 1.018 494 T CB 2.241 71.073 68.868 -0.061 0.000 1.151 494 T HN 0.905 nan 8.240 nan 0.000 0.529 495 T N -2.091 112.501 114.554 0.064 0.000 2.762 495 T HA 0.765 5.115 4.350 0.000 0.000 0.301 495 T C 0.370 175.199 174.700 0.214 0.000 1.299 495 T CA -0.374 61.830 62.100 0.173 0.000 1.005 495 T CB 1.198 70.188 68.868 0.204 0.000 1.377 495 T HN 1.065 nan 8.240 nan 0.000 0.504 496 G N -0.439 108.607 108.800 0.409 0.000 2.641 496 G HA2 0.622 4.582 3.960 0.000 0.000 0.239 496 G HA3 0.622 4.582 3.960 0.000 0.000 0.239 496 G C -1.045 173.983 174.900 0.212 0.000 1.402 496 G CA -0.743 44.559 45.100 0.337 0.000 1.046 496 G HN 0.919 nan 8.290 nan 0.000 0.565 497 V N 0.107 120.106 119.914 0.142 0.000 2.448 497 V HA 0.817 4.937 4.120 0.000 0.000 0.295 497 V C 0.715 176.758 176.094 -0.085 0.000 1.025 497 V CA 0.723 62.988 62.300 -0.060 0.000 0.859 497 V CB 0.510 32.292 31.823 -0.069 0.000 0.988 497 V HN 1.628 nan 8.190 nan 0.000 0.431 498 G N 3.628 112.252 108.800 -0.292 0.000 2.332 498 G HA2 0.015 3.975 3.960 0.000 0.000 0.265 498 G HA3 0.015 3.975 3.960 0.000 0.000 0.265 498 G C -0.011 174.627 174.900 -0.436 0.000 1.329 498 G CA -0.080 44.868 45.100 -0.253 0.000 0.949 498 G HN 0.408 nan 8.290 nan 0.000 0.476 499 Q N -0.799 118.762 119.800 -0.398 0.000 2.084 499 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 499 Q C 2.229 177.821 176.000 -0.680 0.000 0.978 499 Q CA 2.351 57.682 55.803 -0.787 0.000 0.844 499 Q CB -0.258 27.907 28.738 -0.954 0.000 0.898 499 Q HN 0.839 nan 8.270 nan 0.000 0.426 500 H N -0.152 118.872 119.070 -0.077 0.000 2.387 500 H HA -0.148 4.408 4.556 0.000 0.000 0.299 500 H C 1.990 177.399 175.328 0.135 0.000 1.099 500 H CA 1.564 57.737 56.048 0.208 0.000 1.315 500 H CB -0.339 29.521 29.762 0.164 0.000 1.380 500 H HN 0.250 nan 8.280 nan 0.000 0.513 501 Q N 0.098 119.477 119.800 -0.700 0.000 2.050 501 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 501 Q C 1.873 177.830 176.000 -0.071 0.000 0.980 501 Q CA 1.643 57.270 55.803 -0.293 0.000 0.840 501 Q CB 0.056 28.550 28.738 -0.406 0.000 0.898 501 Q HN 0.456 nan 8.270 nan 0.000 0.424 502 M N -0.765 118.688 119.600 -0.244 0.000 2.175 502 M HA -0.158 4.322 4.480 0.000 0.000 0.264 502 M C 1.783 178.005 176.300 -0.130 0.000 1.063 502 M CA 1.043 56.208 55.300 -0.226 0.000 1.119 502 M CB -1.015 31.298 32.600 -0.477 0.000 1.377 502 M HN 0.416 nan 8.290 nan 0.000 0.415 503 W N 0.398 121.659 121.300 -0.065 0.000 2.402 503 W HA 0.029 4.689 4.660 0.000 0.000 0.286 503 W C 2.618 179.169 176.519 0.054 0.000 1.221 503 W CA 1.296 58.629 57.345 -0.020 0.000 1.257 503 W CB -1.236 28.216 29.460 -0.013 0.000 1.120 503 W HN 0.271 nan 8.180 nan 0.000 0.551 504 A N 0.577 123.588 122.820 0.318 0.000 1.898 504 A HA -0.018 4.302 4.320 0.000 0.000 0.216 504 A C 2.246 179.999 177.584 0.281 0.000 1.181 504 A CA 2.619 54.848 52.037 0.320 0.000 0.620 504 A CB -1.069 18.140 19.000 0.348 0.000 0.819 504 A HN 0.098 nan 8.150 nan 0.000 0.442 505 A N -0.479 122.448 122.820 0.179 0.000 1.877 505 A HA -0.228 4.092 4.320 0.000 0.000 0.216 505 A C 2.158 179.850 177.584 0.180 0.000 1.186 505 A CA 1.763 53.852 52.037 0.087 0.000 0.620 505 A CB -0.616 18.417 19.000 0.054 0.000 0.822 505 A HN 0.670 nan 8.150 nan 0.000 0.443 506 Q N -1.456 118.307 119.800 -0.062 0.000 2.049 506 Q HA -0.108 4.232 4.340 0.000 0.000 0.198 506 Q C 1.768 177.474 176.000 -0.491 0.000 0.971 506 Q CA 1.334 56.856 55.803 -0.469 0.000 0.833 506 Q CB -0.206 27.844 28.738 -1.147 0.000 0.896 506 Q HN 0.776 nan 8.270 nan 0.000 0.434 507 H N -1.703 117.304 119.070 -0.104 0.000 2.553 507 H HA 0.024 4.580 4.556 0.000 0.000 0.265 507 H C 0.126 175.405 175.328 -0.083 0.000 0.964 507 H CA 0.025 56.027 56.048 -0.077 0.000 1.156 507 H CB 0.205 29.899 29.762 -0.114 0.000 1.411 507 H HN 0.271 nan 8.280 nan 0.000 0.558 508 W N 2.380 123.530 121.300 -0.249 0.000 2.251 508 W HA 0.125 4.785 4.660 0.000 0.000 0.329 508 W C -0.529 175.523 176.519 -0.777 0.000 1.234 508 W CA -0.051 56.929 57.345 -0.608 0.000 1.228 508 W CB 1.041 29.865 29.460 -1.060 0.000 1.135 508 W HN -0.223 nan 8.180 nan 0.000 0.576 509 T N 6.096 120.214 114.554 -0.727 0.000 2.811 509 T HA 0.117 4.467 4.350 0.000 0.000 0.309 509 T C -0.681 173.823 174.700 -0.327 0.000 1.005 509 T CA -0.037 61.817 62.100 -0.409 0.000 0.955 509 T CB -0.303 68.382 68.868 -0.304 0.000 0.970 509 T HN 0.213 nan 8.240 nan 0.000 0.496 510 W N 2.976 124.373 121.300 0.161 0.000 2.287 510 W HA 0.405 5.065 4.660 0.000 0.000 0.313 510 W C 1.375 177.942 176.519 0.079 0.000 1.267 510 W CA -0.794 56.639 57.345 0.146 0.000 1.201 510 W CB 0.741 30.242 29.460 0.068 0.000 1.196 510 W HN 0.554 nan 8.180 nan 0.000 0.536 511 R N 1.118 121.791 120.500 0.288 0.000 2.646 511 R HA 0.104 4.444 4.340 0.000 0.000 0.226 511 R C -0.463 175.915 176.300 0.131 0.000 0.928 511 R CA -0.297 55.889 56.100 0.144 0.000 1.010 511 R CB 0.274 30.616 30.300 0.070 0.000 1.516 511 R HN 0.447 nan 8.270 nan 0.000 0.621 512 N N 2.874 121.686 118.700 0.187 0.000 2.361 512 N HA 0.299 5.039 4.740 0.000 0.000 0.302 512 N C -2.828 172.768 175.510 0.143 0.000 1.074 512 N CA -1.705 51.440 53.050 0.159 0.000 0.850 512 N CB 1.862 40.461 38.487 0.187 0.000 1.228 512 N HN -0.133 nan 8.380 nan 0.000 0.491 513 P HA 0.037 nan 4.420 nan 0.000 0.275 513 P C -0.774 176.505 177.300 -0.034 0.000 1.227 513 P CA 0.475 63.514 63.100 -0.102 0.000 0.781 513 P CB 0.457 32.055 31.700 -0.169 0.000 0.906 514 H N 0.384 119.511 119.070 0.095 0.000 2.886 514 H HA -0.090 4.466 4.556 0.000 0.000 0.294 514 H C 0.696 176.094 175.328 0.116 0.000 1.246 514 H CA 1.322 57.421 56.048 0.084 0.000 1.142 514 H CB -2.642 27.167 29.762 0.079 0.000 1.358 514 H HN 0.608 nan 8.280 nan 0.000 0.406 515 T N -3.922 110.735 114.554 0.172 0.000 3.044 515 T HA 0.247 4.597 4.350 0.000 0.000 0.260 515 T C 0.128 174.954 174.700 0.211 0.000 1.019 515 T CA -0.212 61.995 62.100 0.178 0.000 0.921 515 T CB 0.400 69.393 68.868 0.208 0.000 1.053 515 T HN 0.117 nan 8.240 nan 0.000 0.533 516 F N 2.322 122.176 119.950 -0.160 0.000 2.445 516 F HA 0.660 5.187 4.527 0.000 0.000 0.348 516 F C -1.276 174.411 175.800 -0.188 0.000 1.125 516 F CA -2.847 54.943 58.000 -0.349 0.000 0.983 516 F CB 0.997 39.436 39.000 -0.936 0.000 1.198 516 F HN 0.033 nan 8.300 nan 0.000 0.436 517 I N 5.716 126.091 120.570 -0.324 0.000 2.390 517 I HA 0.336 4.506 4.170 0.000 0.000 0.283 517 I C -0.189 175.722 176.117 -0.344 0.000 1.016 517 I CA -0.257 60.890 61.300 -0.255 0.000 1.151 517 I CB 1.612 39.571 38.000 -0.069 0.000 1.293 517 I HN 0.512 nan 8.210 nan 0.000 0.458 518 T N 3.227 117.504 114.554 -0.462 0.000 2.900 518 T HA 0.273 4.623 4.350 0.000 0.000 0.303 518 T C -0.811 173.594 174.700 -0.491 0.000 1.142 518 T CA -0.431 61.407 62.100 -0.436 0.000 1.007 518 T CB 1.984 70.357 68.868 -0.826 0.000 1.156 518 T HN 0.406 nan 8.240 nan 0.000 0.490 519 S N 1.856 117.155 115.700 -0.669 0.000 2.411 519 S HA 0.483 4.953 4.470 0.000 0.000 0.304 519 S C 1.195 175.562 174.600 -0.389 0.000 1.098 519 S CA 0.113 57.875 58.200 -0.731 0.000 1.068 519 S CB -0.195 62.461 63.200 -0.907 0.000 1.032 519 S HN 0.864 nan 8.310 nan 0.000 0.511 520 G N 3.843 112.465 108.800 -0.297 0.000 2.645 520 G HA2 0.189 4.149 3.960 0.000 0.000 0.207 520 G HA3 0.189 4.149 3.960 0.000 0.000 0.207 520 G C 1.228 176.041 174.900 -0.146 0.000 1.145 520 G CA 0.409 45.394 45.100 -0.192 0.000 0.831 520 G HN 0.770 nan 8.290 nan 0.000 0.563 521 G N 0.956 109.674 108.800 -0.138 0.000 2.434 521 G HA2 -0.077 3.883 3.960 0.000 0.000 0.214 521 G HA3 -0.077 3.883 3.960 0.000 0.000 0.214 521 G C 1.669 176.516 174.900 -0.088 0.000 1.202 521 G CA 1.115 46.158 45.100 -0.094 0.000 0.788 521 G HN 0.344 nan 8.290 nan 0.000 0.539 522 L N 0.608 121.769 121.223 -0.102 0.000 2.307 522 L HA 0.384 4.724 4.340 0.000 0.000 0.211 522 L C 1.680 178.481 176.870 -0.115 0.000 1.099 522 L CA 1.428 56.217 54.840 -0.086 0.000 0.816 522 L CB -0.307 41.715 42.059 -0.062 0.000 0.952 522 L HN 0.477 nan 8.230 nan 0.000 0.455 523 G N 1.058 109.760 108.800 -0.164 0.000 2.370 523 G HA2 -0.260 3.700 3.960 0.000 0.000 0.295 523 G HA3 -0.260 3.700 3.960 0.000 0.000 0.295 523 G C 0.124 174.937 174.900 -0.146 0.000 1.045 523 G CA 0.497 45.495 45.100 -0.170 0.000 1.199 523 G HN 0.346 nan 8.290 nan 0.000 0.513 524 T N 2.515 116.961 114.554 -0.181 0.000 2.723 524 T HA 0.484 4.834 4.350 0.000 0.000 0.297 524 T C 1.187 175.834 174.700 -0.088 0.000 0.925 524 T CA -0.118 61.913 62.100 -0.115 0.000 1.030 524 T CB 0.676 69.489 68.868 -0.092 0.000 0.905 524 T HN 0.428 nan 8.240 nan 0.000 0.502 525 M N 2.446 122.022 119.600 -0.041 0.000 2.245 525 M HA 0.354 4.834 4.480 0.000 0.000 0.344 525 M C 1.481 177.778 176.300 -0.005 0.000 1.170 525 M CA 0.828 56.126 55.300 -0.002 0.000 1.135 525 M CB 0.473 33.077 32.600 0.007 0.000 1.574 525 M HN 0.989 nan 8.290 nan 0.000 0.452 526 G N 1.459 110.265 108.800 0.011 0.000 2.176 526 G HA2 -0.318 3.642 3.960 0.000 0.000 0.232 526 G HA3 -0.318 3.642 3.960 0.000 0.000 0.232 526 G C 0.381 175.242 174.900 -0.066 0.000 0.986 526 G CA 0.355 45.443 45.100 -0.020 0.000 0.643 526 G HN 0.808 nan 8.290 nan 0.000 0.522 527 Y N 1.701 121.830 120.300 -0.286 0.000 2.242 527 Y HA 0.152 4.702 4.550 0.000 0.000 0.291 527 Y C 2.590 178.365 175.900 -0.209 0.000 1.137 527 Y CA 2.551 60.379 58.100 -0.454 0.000 1.181 527 Y CB -0.537 37.668 38.460 -0.425 0.000 0.989 527 Y HN 0.245 nan 8.280 nan 0.000 0.527 528 G N 0.860 109.648 108.800 -0.020 0.000 2.553 528 G HA2 -0.360 3.600 3.960 0.000 0.000 0.218 528 G HA3 -0.360 3.600 3.960 0.000 0.000 0.218 528 G C 1.590 176.448 174.900 -0.070 0.000 1.195 528 G CA 1.439 46.520 45.100 -0.033 0.000 0.779 528 G HN 0.462 nan 8.290 nan 0.000 0.577 529 L N 2.378 123.600 121.223 -0.002 0.000 1.988 529 L HA 0.067 4.407 4.340 0.000 0.000 0.207 529 L C 0.372 177.221 176.870 -0.035 0.000 1.071 529 L CA 2.219 57.081 54.840 0.036 0.000 0.744 529 L CB -1.131 40.989 42.059 0.102 0.000 0.893 529 L HN 0.171 nan 8.230 nan 0.000 0.433 530 P HA -0.164 nan 4.420 nan 0.000 0.217 530 P C 1.432 178.627 177.300 -0.174 0.000 1.150 530 P CA 2.085 65.139 63.100 -0.077 0.000 0.832 530 P CB -0.176 31.511 31.700 -0.022 0.000 0.787 531 A N 0.760 123.359 122.820 -0.369 0.000 1.902 531 A HA -0.083 4.237 4.320 0.000 0.000 0.217 531 A C 2.542 179.990 177.584 -0.226 0.000 1.181 531 A CA 2.267 54.014 52.037 -0.484 0.000 0.623 531 A CB -1.555 16.829 19.000 -1.026 0.000 0.818 531 A HN 0.243 nan 8.150 nan 0.000 0.443 532 A N -0.021 122.710 122.820 -0.149 0.000 1.902 532 A HA -0.085 4.235 4.320 0.000 0.000 0.217 532 A C 2.119 179.705 177.584 0.004 0.000 1.181 532 A CA 1.520 53.528 52.037 -0.048 0.000 0.623 532 A CB -0.604 18.390 19.000 -0.011 0.000 0.818 532 A HN 0.507 nan 8.150 nan 0.000 0.443 533 I N -0.366 120.212 120.570 0.014 0.000 2.226 533 I HA -0.210 3.960 4.170 0.000 0.000 0.245 533 I C 2.704 178.896 176.117 0.124 0.000 1.100 533 I CA 1.172 62.516 61.300 0.073 0.000 1.374 533 I CB -0.680 37.370 38.000 0.084 0.000 1.057 533 I HN 0.406 nan 8.210 nan 0.000 0.413 534 G N 0.484 109.325 108.800 0.068 0.000 2.418 534 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 534 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 534 G C 1.873 176.899 174.900 0.210 0.000 1.158 534 G CA 0.802 45.985 45.100 0.138 0.000 0.771 534 G HN 0.487 nan 8.290 nan 0.000 0.545 535 A N 0.210 123.078 122.820 0.080 0.000 1.933 535 A HA -0.097 4.223 4.320 0.000 0.000 0.218 535 A C 2.304 179.945 177.584 0.095 0.000 1.175 535 A CA 2.250 54.325 52.037 0.063 0.000 0.628 535 A CB -0.427 18.585 19.000 0.021 0.000 0.814 535 A HN 0.426 nan 8.150 nan 0.000 0.444 536 Q N -0.236 119.626 119.800 0.105 0.000 2.119 536 Q HA -0.080 4.260 4.340 0.000 0.000 0.201 536 Q C 1.802 177.884 176.000 0.136 0.000 0.972 536 Q CA 1.908 57.774 55.803 0.104 0.000 0.847 536 Q CB -0.459 28.331 28.738 0.088 0.000 0.903 536 Q HN 0.341 nan 8.270 nan 0.000 0.433 537 V N 0.508 120.545 119.914 0.204 0.000 2.427 537 V HA -0.234 3.886 4.120 0.000 0.000 0.248 537 V C 2.205 178.465 176.094 0.276 0.000 1.051 537 V CA 1.692 64.138 62.300 0.244 0.000 1.048 537 V CB -1.077 30.941 31.823 0.326 0.000 0.666 537 V HN 0.515 nan 8.190 nan 0.000 0.456 538 A N -1.005 121.977 122.820 0.271 0.000 1.930 538 A HA -0.065 4.255 4.320 0.000 0.000 0.217 538 A C 1.373 178.964 177.584 0.011 0.000 1.175 538 A CA 1.179 53.239 52.037 0.038 0.000 0.627 538 A CB -0.024 18.787 19.000 -0.315 0.000 0.815 538 A HN 0.394 nan 8.150 nan 0.000 0.443 539 K N -0.593 119.834 120.400 0.046 0.000 2.624 539 K HA 0.301 4.621 4.320 0.000 0.000 0.200 539 K C -2.542 174.098 176.600 0.067 0.000 1.036 539 K CA -1.839 54.473 56.287 0.042 0.000 1.029 539 K CB 1.198 33.735 32.500 0.063 0.000 1.317 539 K HN 0.058 nan 8.250 nan 0.000 0.555 540 P HA -0.163 nan 4.420 nan 0.000 0.217 540 P C 0.508 177.840 177.300 0.053 0.000 1.148 540 P CA 1.320 64.455 63.100 0.059 0.000 0.828 540 P CB 0.500 32.231 31.700 0.051 0.000 0.783 541 E N -1.382 118.848 120.200 0.049 0.000 2.442 541 E HA 0.075 4.425 4.350 0.000 0.000 0.195 541 E C 0.473 177.121 176.600 0.081 0.000 1.030 541 E CA 0.232 56.663 56.400 0.052 0.000 0.869 541 E CB -0.338 29.384 29.700 0.036 0.000 0.857 541 E HN 0.132 nan 8.360 nan 0.000 0.505 542 S N 0.678 116.447 115.700 0.116 0.000 2.592 542 S HA 0.250 4.720 4.470 0.000 0.000 0.271 542 S C -0.237 174.421 174.600 0.096 0.000 1.326 542 S CA -0.678 57.627 58.200 0.174 0.000 1.024 542 S CB 0.685 64.069 63.200 0.308 0.000 0.921 542 S HN 0.161 nan 8.310 nan 0.000 0.527 543 L N 4.194 125.460 121.223 0.072 0.000 2.283 543 L HA 0.453 4.793 4.340 0.000 0.000 0.287 543 L C -0.979 175.902 176.870 0.018 0.000 1.073 543 L CA -0.002 54.852 54.840 0.022 0.000 0.822 543 L CB 0.220 42.287 42.059 0.013 0.000 1.186 543 L HN 0.363 nan 8.230 nan 0.000 0.436 544 V N 7.276 127.195 119.914 0.007 0.000 2.370 544 V HA 0.449 4.569 4.120 0.000 0.000 0.279 544 V C 0.232 176.320 176.094 -0.011 0.000 1.029 544 V CA -0.354 61.952 62.300 0.010 0.000 0.870 544 V CB 1.217 33.056 31.823 0.028 0.000 0.984 544 V HN 0.616 nan 8.190 nan 0.000 0.451 545 I N 3.870 124.440 120.570 0.000 0.000 2.406 545 I HA 0.387 4.557 4.170 0.000 0.000 0.290 545 I C -0.719 175.427 176.117 0.048 0.000 0.999 545 I CA -0.465 60.853 61.300 0.029 0.000 1.124 545 I CB 2.033 40.071 38.000 0.063 0.000 1.289 545 I HN 0.551 nan 8.210 nan 0.000 0.441 546 D N 8.005 128.455 120.400 0.083 0.000 2.443 546 D HA 0.322 4.962 4.640 0.000 0.000 0.221 546 D C -0.412 175.937 176.300 0.081 0.000 1.097 546 D CA -0.236 53.806 54.000 0.070 0.000 0.865 546 D CB 0.677 41.513 40.800 0.060 0.000 1.034 546 D HN 0.331 nan 8.370 nan 0.000 0.511 547 I N 3.849 124.480 120.570 0.103 0.000 2.329 547 I HA 0.158 4.328 4.170 0.000 0.000 0.295 547 I C 0.496 176.676 176.117 0.105 0.000 1.109 547 I CA -0.156 61.216 61.300 0.121 0.000 1.297 547 I CB 0.396 38.514 38.000 0.196 0.000 1.433 547 I HN 0.311 nan 8.210 nan 0.000 0.509 548 D N 4.233 124.566 120.400 -0.111 0.000 2.392 548 D HA 0.586 5.227 4.640 0.000 0.000 0.246 548 D C -0.109 175.695 176.300 -0.827 0.000 1.013 548 D CA -0.227 53.549 54.000 -0.373 0.000 0.993 548 D CB 2.444 43.127 40.800 -0.194 0.000 1.219 548 D HN 0.493 nan 8.370 nan 0.000 0.538 549 G N -0.414 107.767 108.800 -1.031 0.000 2.454 549 G HA2 0.262 4.222 3.960 0.000 0.000 0.329 549 G HA3 0.262 4.222 3.960 0.000 0.000 0.329 549 G C 0.757 175.526 174.900 -0.217 0.000 1.177 549 G CA -0.453 44.269 45.100 -0.631 0.000 0.951 549 G HN 0.494 nan 8.290 nan 0.000 0.485 550 D N 0.548 120.896 120.400 -0.086 0.000 2.117 550 D HA -0.148 4.492 4.640 0.000 0.000 0.197 550 D C 2.257 178.664 176.300 0.178 0.000 0.987 550 D CA 1.271 55.302 54.000 0.052 0.000 0.829 550 D CB -0.395 40.523 40.800 0.196 0.000 0.961 550 D HN 0.364 nan 8.370 nan 0.000 0.460 551 A N 0.897 123.790 122.820 0.123 0.000 1.898 551 A HA -0.089 4.231 4.320 0.000 0.000 0.216 551 A C 2.527 180.169 177.584 0.096 0.000 1.181 551 A CA 1.730 53.834 52.037 0.112 0.000 0.620 551 A CB -0.609 18.434 19.000 0.073 0.000 0.819 551 A HN 0.256 nan 8.150 nan 0.000 0.442 552 S N -1.093 114.660 115.700 0.088 0.000 2.368 552 S HA -0.128 4.342 4.470 0.000 0.000 0.225 552 S C 1.658 176.309 174.600 0.085 0.000 1.030 552 S CA 1.450 59.699 58.200 0.081 0.000 0.999 552 S CB -0.498 62.771 63.200 0.116 0.000 0.844 552 S HN 0.606 nan 8.310 nan 0.000 0.459 553 F N 3.356 123.270 119.950 -0.059 0.000 2.161 553 F HA -0.116 4.411 4.527 0.000 0.000 0.300 553 F C 1.998 177.808 175.800 0.017 0.000 1.089 553 F CA 1.165 59.129 58.000 -0.061 0.000 1.282 553 F CB -0.535 38.363 39.000 -0.169 0.000 1.010 553 F HN 0.154 nan 8.300 nan 0.000 0.485 554 N N 0.187 118.922 118.700 0.057 0.000 2.205 554 N HA -0.193 4.547 4.740 0.000 0.000 0.186 554 N C 1.939 177.392 175.510 -0.094 0.000 1.015 554 N CA 1.498 54.547 53.050 -0.001 0.000 0.862 554 N CB -0.285 38.270 38.487 0.113 0.000 0.986 554 N HN 0.362 nan 8.380 nan 0.000 0.429 555 M N 0.095 119.650 119.600 -0.076 0.000 2.108 555 M HA -0.105 4.375 4.480 0.000 0.000 0.261 555 M C 1.228 177.445 176.300 -0.138 0.000 1.066 555 M CA 1.469 56.719 55.300 -0.084 0.000 1.107 555 M CB -0.773 31.797 32.600 -0.050 0.000 1.356 555 M HN 0.193 nan 8.290 nan 0.000 0.406 556 T N -2.564 111.875 114.554 -0.192 0.000 3.393 556 T HA 0.344 4.694 4.350 0.000 0.000 0.298 556 T C 0.979 175.505 174.700 -0.290 0.000 1.004 556 T CA -0.414 61.568 62.100 -0.196 0.000 0.956 556 T CB -0.568 68.230 68.868 -0.115 0.000 1.182 556 T HN 0.214 nan 8.240 nan 0.000 0.497 557 L N -0.760 120.179 121.223 -0.473 0.000 2.349 557 L HA 0.164 4.504 4.340 0.000 0.000 0.220 557 L C 2.199 178.924 176.870 -0.241 0.000 1.130 557 L CA 1.547 55.999 54.840 -0.647 0.000 0.791 557 L CB -1.917 39.655 42.059 -0.813 0.000 0.918 557 L HN 0.268 nan 8.230 nan 0.000 0.444 558 T N -0.631 113.841 114.554 -0.137 0.000 2.929 558 T HA -0.114 4.236 4.350 0.000 0.000 0.271 558 T C 1.633 176.334 174.700 0.002 0.000 1.085 558 T CA 1.157 63.235 62.100 -0.037 0.000 1.125 558 T CB -0.348 68.516 68.868 -0.007 0.000 0.874 558 T HN 0.471 nan 8.240 nan 0.000 0.494 559 E N 1.012 121.202 120.200 -0.016 0.000 2.472 559 E HA 0.057 4.407 4.350 0.000 0.000 0.200 559 E C 2.068 178.703 176.600 0.059 0.000 1.046 559 E CA 0.119 56.539 56.400 0.033 0.000 0.871 559 E CB -0.316 29.397 29.700 0.022 0.000 0.806 559 E HN 0.545 nan 8.360 nan 0.000 0.533 560 L N 1.059 122.317 121.223 0.059 0.000 2.042 560 L HA -0.233 4.107 4.340 0.000 0.000 0.210 560 L C 2.479 179.410 176.870 0.100 0.000 1.076 560 L CA 1.723 56.629 54.840 0.110 0.000 0.749 560 L CB -0.565 41.583 42.059 0.149 0.000 0.893 560 L HN 0.174 nan 8.230 nan 0.000 0.432 561 S N -1.840 113.913 115.700 0.088 0.000 2.423 561 S HA -0.124 4.346 4.470 0.000 0.000 0.231 561 S C 2.029 176.684 174.600 0.091 0.000 1.014 561 S CA 1.139 59.391 58.200 0.087 0.000 0.965 561 S CB -0.261 62.988 63.200 0.081 0.000 0.785 561 S HN 0.315 nan 8.310 nan 0.000 0.495 562 S N 2.479 118.238 115.700 0.098 0.000 2.382 562 S HA 0.089 4.559 4.470 0.000 0.000 0.228 562 S C 2.348 177.009 174.600 0.103 0.000 1.027 562 S CA 0.989 59.254 58.200 0.109 0.000 0.991 562 S CB -0.815 62.455 63.200 0.118 0.000 0.823 562 S HN 0.782 nan 8.310 nan 0.000 0.469 563 A N 1.278 124.156 122.820 0.097 0.000 1.883 563 A HA -0.072 4.248 4.320 0.000 0.000 0.217 563 A C 2.347 179.982 177.584 0.085 0.000 1.186 563 A CA 1.652 53.745 52.037 0.093 0.000 0.624 563 A CB -0.958 18.099 19.000 0.094 0.000 0.822 563 A HN 0.347 nan 8.150 nan 0.000 0.444 564 V N -0.086 119.878 119.914 0.083 0.000 2.343 564 V HA -0.304 3.816 4.120 0.000 0.000 0.247 564 V C 2.724 178.860 176.094 0.070 0.000 1.051 564 V CA 2.321 64.665 62.300 0.073 0.000 1.036 564 V CB -0.801 31.065 31.823 0.072 0.000 0.654 564 V HN 0.795 nan 8.190 nan 0.000 0.451 565 Q N -0.020 119.826 119.800 0.076 0.000 2.167 565 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 565 Q C 2.070 178.116 176.000 0.075 0.000 0.970 565 Q CA 1.656 57.504 55.803 0.075 0.000 0.855 565 Q CB -0.229 28.559 28.738 0.085 0.000 0.911 565 Q HN 0.629 nan 8.270 nan 0.000 0.438 566 A N -0.260 122.610 122.820 0.082 0.000 2.167 566 A HA 0.221 4.541 4.320 0.000 0.000 0.214 566 A C 1.514 179.140 177.584 0.069 0.000 1.151 566 A CA 0.871 52.956 52.037 0.079 0.000 0.735 566 A CB -0.497 18.559 19.000 0.094 0.000 0.802 566 A HN 0.644 nan 8.150 nan 0.000 0.467 567 G N -0.222 108.617 108.800 0.065 0.000 2.160 567 G HA2 -0.212 3.748 3.960 0.000 0.000 0.244 567 G HA3 -0.212 3.748 3.960 0.000 0.000 0.244 567 G C 0.315 175.251 174.900 0.059 0.000 1.022 567 G CA 0.651 45.785 45.100 0.057 0.000 0.741 567 G HN 1.474 nan 8.290 nan 0.000 0.508 568 T N -0.663 113.931 114.554 0.068 0.000 2.762 568 T HA 0.629 4.979 4.350 0.000 0.000 0.303 568 T C -1.649 173.086 174.700 0.057 0.000 0.977 568 T CA -1.650 60.491 62.100 0.069 0.000 0.961 568 T CB 2.337 71.257 68.868 0.086 0.000 0.944 568 T HN 0.141 nan 8.240 nan 0.000 0.481 569 P HA 0.154 nan 4.420 nan 0.000 0.225 569 P C 0.572 177.877 177.300 0.008 0.000 1.768 569 P CA -0.373 62.743 63.100 0.026 0.000 0.943 569 P CB -0.523 31.186 31.700 0.016 0.000 1.936 570 V N -0.962 118.967 119.914 0.026 0.000 2.811 570 V HA 0.303 4.423 4.120 0.000 0.000 0.302 570 V C 0.302 176.391 176.094 -0.007 0.000 1.063 570 V CA -0.347 61.962 62.300 0.015 0.000 1.088 570 V CB 0.353 32.204 31.823 0.046 0.000 0.982 570 V HN -0.023 nan 8.190 nan 0.000 0.485 571 K N 5.221 125.582 120.400 -0.065 0.000 2.281 571 K HA 0.590 4.910 4.320 0.000 0.000 0.272 571 K C -0.650 176.070 176.600 0.201 0.000 1.048 571 K CA -0.335 55.857 56.287 -0.158 0.000 0.898 571 K CB 1.166 33.225 32.500 -0.735 0.000 1.128 571 K HN 0.767 nan 8.250 nan 0.000 0.460 572 I N 4.001 124.779 120.570 0.347 0.000 2.312 572 I HA 0.206 4.376 4.170 0.000 0.000 0.290 572 I C -0.327 175.852 176.117 0.103 0.000 1.008 572 I CA -1.102 60.314 61.300 0.193 0.000 1.226 572 I CB 0.937 38.957 38.000 0.033 0.000 1.371 572 I HN 0.233 nan 8.210 nan 0.000 0.468 573 L N 8.809 130.038 121.223 0.011 0.000 2.305 573 L HA 0.566 4.906 4.340 0.000 0.000 0.284 573 L C -0.697 175.989 176.870 -0.306 0.000 1.013 573 L CA -0.042 54.653 54.840 -0.242 0.000 0.819 573 L CB 0.957 42.954 42.059 -0.105 0.000 1.227 573 L HN 0.414 nan 8.230 nan 0.000 0.417 574 I N 6.671 126.982 120.570 -0.431 0.000 2.330 574 I HA 0.232 4.402 4.170 0.000 0.000 0.286 574 I C -0.410 175.520 176.117 -0.311 0.000 1.025 574 I CA -0.457 60.553 61.300 -0.483 0.000 1.197 574 I CB 1.140 38.661 38.000 -0.799 0.000 1.358 574 I HN 0.470 nan 8.210 nan 0.000 0.467 575 L N 6.182 127.278 121.223 -0.212 0.000 2.404 575 L HA 0.176 4.516 4.340 0.000 0.000 0.277 575 L C 0.296 177.129 176.870 -0.062 0.000 1.184 575 L CA -0.226 54.558 54.840 -0.092 0.000 1.013 575 L CB -0.450 41.624 42.059 0.024 0.000 1.318 575 L HN 0.551 nan 8.230 nan 0.000 0.435 576 N N 2.788 121.451 118.700 -0.061 0.000 2.401 576 N HA 0.014 4.754 4.740 0.000 0.000 0.255 576 N C 0.516 176.068 175.510 0.070 0.000 1.110 576 N CA -0.182 52.882 53.050 0.024 0.000 0.949 576 N CB 0.574 39.117 38.487 0.093 0.000 1.110 576 N HN 0.442 nan 8.380 nan 0.000 0.490 577 N N 2.193 120.951 118.700 0.097 0.000 2.204 577 N HA 0.048 4.788 4.740 0.000 0.000 0.219 577 N C -0.815 174.771 175.510 0.128 0.000 1.151 577 N CA -0.217 52.899 53.050 0.110 0.000 0.867 577 N CB -0.319 38.247 38.487 0.132 0.000 1.043 577 N HN 0.562 nan 8.380 nan 0.000 0.516 578 E N 0.417 120.702 120.200 0.142 0.000 2.228 578 E HA -0.274 4.076 4.350 0.000 0.000 0.213 578 E C -0.896 175.805 176.600 0.169 0.000 1.282 578 E CA 1.076 57.574 56.400 0.163 0.000 0.707 578 E CB -1.533 28.264 29.700 0.161 0.000 1.150 578 E HN 0.877 nan 8.360 nan 0.000 0.362 579 E N -1.439 118.813 120.200 0.087 0.000 2.417 579 E HA 0.220 4.570 4.350 0.000 0.000 0.280 579 E C -0.955 175.608 176.600 -0.062 0.000 1.112 579 E CA -0.976 55.384 56.400 -0.066 0.000 0.863 579 E CB 0.761 30.376 29.700 -0.142 0.000 1.346 579 E HN 0.037 nan 8.360 nan 0.000 0.443 580 Q N 0.941 120.652 119.800 -0.147 0.000 2.835 580 Q HA 0.172 4.512 4.340 0.000 0.000 0.235 580 Q C 1.032 176.997 176.000 -0.057 0.000 1.313 580 Q CA 0.367 56.131 55.803 -0.065 0.000 1.053 580 Q CB 0.778 29.473 28.738 -0.071 0.000 1.443 580 Q HN 0.796 nan 8.270 nan 0.000 0.576 581 G N 1.998 110.793 108.800 -0.008 0.000 2.624 581 G HA2 -0.351 3.609 3.960 0.000 0.000 0.221 581 G HA3 -0.351 3.609 3.960 0.000 0.000 0.221 581 G C 1.219 176.127 174.900 0.012 0.000 1.169 581 G CA 0.966 46.073 45.100 0.012 0.000 0.771 581 G HN 0.463 nan 8.290 nan 0.000 0.598 582 M N 0.211 119.808 119.600 -0.006 0.000 2.229 582 M HA 0.050 4.530 4.480 0.000 0.000 0.264 582 M C 2.486 178.870 176.300 0.140 0.000 1.063 582 M CA 1.012 56.336 55.300 0.040 0.000 1.114 582 M CB -0.202 32.379 32.600 -0.032 0.000 1.387 582 M HN 0.069 nan 8.290 nan 0.000 0.420 583 V N -0.533 119.420 119.914 0.065 0.000 2.407 583 V HA -0.196 3.924 4.120 0.000 0.000 0.245 583 V C 2.392 178.605 176.094 0.199 0.000 1.041 583 V CA 2.007 64.365 62.300 0.096 0.000 1.040 583 V CB -1.627 30.204 31.823 0.013 0.000 0.671 583 V HN 0.677 nan 8.190 nan 0.000 0.455 584 T N -1.536 113.084 114.554 0.110 0.000 2.833 584 T HA -0.311 4.039 4.350 0.000 0.000 0.269 584 T C 1.818 176.679 174.700 0.269 0.000 1.054 584 T CA 1.823 64.014 62.100 0.152 0.000 1.135 584 T CB -0.347 68.415 68.868 -0.177 0.000 0.869 584 T HN 0.520 nan 8.240 nan 0.000 0.466 585 Q N -0.643 119.297 119.800 0.235 0.000 2.084 585 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 585 Q C 1.899 178.049 176.000 0.251 0.000 0.978 585 Q CA 1.571 57.509 55.803 0.226 0.000 0.844 585 Q CB -0.269 28.598 28.738 0.216 0.000 0.898 585 Q HN 0.709 nan 8.270 nan 0.000 0.426 586 W N 0.979 122.396 121.300 0.195 0.000 2.388 586 W HA -0.076 4.584 4.660 0.000 0.000 0.294 586 W C 2.256 178.999 176.519 0.373 0.000 1.212 586 W CA 1.030 58.581 57.345 0.343 0.000 1.271 586 W CB -0.206 29.479 29.460 0.375 0.000 1.126 586 W HN 0.295 nan 8.180 nan 0.000 0.535 587 Q N -0.578 119.530 119.800 0.513 0.000 2.124 587 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 587 Q C 2.187 178.260 176.000 0.121 0.000 0.977 587 Q CA 1.881 57.927 55.803 0.404 0.000 0.850 587 Q CB -0.479 28.450 28.738 0.318 0.000 0.901 587 Q HN 0.143 nan 8.270 nan 0.000 0.429 588 S N 0.838 116.580 115.700 0.069 0.000 2.368 588 S HA -0.070 4.400 4.470 0.000 0.000 0.224 588 S C 1.835 176.127 174.600 -0.513 0.000 1.029 588 S CA 0.729 58.715 58.200 -0.357 0.000 0.988 588 S CB -0.098 63.065 63.200 -0.062 0.000 0.838 588 S HN 0.293 nan 8.310 nan 0.000 0.462 589 L N -0.658 120.333 121.223 -0.387 0.000 2.131 589 L HA 0.096 4.436 4.340 0.000 0.000 0.206 589 L C 1.129 177.485 176.870 -0.857 0.000 1.087 589 L CA 1.329 55.746 54.840 -0.704 0.000 0.767 589 L CB -0.000 41.429 42.059 -1.049 0.000 0.917 589 L HN 0.324 nan 8.230 nan 0.000 0.441 590 F N -3.310 116.514 119.950 -0.211 0.000 2.728 590 F HA 0.119 4.646 4.527 0.000 0.000 0.314 590 F C 0.320 175.775 175.800 -0.576 0.000 1.094 590 F CA -0.326 57.450 58.000 -0.374 0.000 1.217 590 F CB 0.440 39.181 39.000 -0.432 0.000 1.056 590 F HN -0.106 nan 8.300 nan 0.000 0.577 591 Y N 0.429 120.769 120.300 0.067 0.000 2.672 591 Y HA 0.249 4.799 4.550 0.000 0.000 0.272 591 Y C -0.016 175.845 175.900 -0.064 0.000 1.055 591 Y CA -1.321 56.796 58.100 0.028 0.000 1.151 591 Y CB -0.630 37.866 38.460 0.060 0.000 1.190 591 Y HN 0.052 nan 8.280 nan 0.000 0.574 592 E N 0.049 120.235 120.200 -0.023 0.000 2.165 592 E HA -0.329 4.021 4.350 0.000 0.000 0.203 592 E C -0.609 176.018 176.600 0.045 0.000 1.335 592 E CA 1.021 57.433 56.400 0.020 0.000 0.708 592 E CB -1.661 28.078 29.700 0.065 0.000 1.105 592 E HN 0.800 nan 8.360 nan 0.000 0.346 593 H N -2.292 116.682 119.070 -0.160 0.000 2.820 593 H HA -0.201 4.355 4.556 0.000 0.000 0.295 593 H C -0.033 174.818 175.328 -0.796 0.000 1.187 593 H CA 1.331 57.086 56.048 -0.489 0.000 1.144 593 H CB -1.056 28.577 29.762 -0.216 0.000 1.354 593 H HN 0.321 nan 8.280 nan 0.000 0.395 594 R N 1.189 121.455 120.500 -0.389 0.000 2.593 594 R HA 0.142 4.482 4.340 0.000 0.000 0.282 594 R C -0.659 175.497 176.300 -0.241 0.000 1.300 594 R CA -0.318 55.635 56.100 -0.246 0.000 1.221 594 R CB 0.106 30.380 30.300 -0.044 0.000 1.157 594 R HN 0.384 nan 8.270 nan 0.000 0.555 595 Y N 0.875 121.243 120.300 0.112 0.000 2.573 595 Y HA -0.010 4.540 4.550 0.000 0.000 0.346 595 Y C 1.078 176.996 175.900 0.031 0.000 1.198 595 Y CA -0.189 57.964 58.100 0.089 0.000 1.627 595 Y CB 0.435 38.998 38.460 0.172 0.000 1.457 595 Y HN 0.313 nan 8.280 nan 0.000 0.483 596 S N 4.440 120.175 115.700 0.059 0.000 2.405 596 S HA 0.080 4.550 4.470 0.000 0.000 0.291 596 S C 0.223 174.798 174.600 -0.041 0.000 1.137 596 S CA -0.449 57.685 58.200 -0.110 0.000 1.061 596 S CB -0.323 62.815 63.200 -0.103 0.000 1.001 596 S HN 0.785 nan 8.310 nan 0.000 0.507 597 H N 2.033 121.174 119.070 0.118 0.000 2.776 597 H HA -0.129 4.427 4.556 0.000 0.000 0.300 597 H C 1.025 176.388 175.328 0.058 0.000 1.161 597 H CA 1.331 57.434 56.048 0.092 0.000 1.147 597 H CB -2.435 27.357 29.762 0.049 0.000 1.366 597 H HN 0.725 nan 8.280 nan 0.000 0.397 598 T N -3.347 111.270 114.554 0.105 0.000 3.134 598 T HA 0.232 4.582 4.350 0.000 0.000 0.260 598 T C 0.291 174.810 174.700 -0.302 0.000 1.027 598 T CA -0.187 61.862 62.100 -0.084 0.000 0.913 598 T CB 0.240 69.021 68.868 -0.146 0.000 1.046 598 T HN 0.429 nan 8.240 nan 0.000 0.553 599 H N 1.004 120.116 119.070 0.070 0.000 2.727 599 H HA 0.681 5.237 4.556 0.000 0.000 0.330 599 H C 0.179 175.563 175.328 0.092 0.000 0.986 599 H CA -0.337 55.752 56.048 0.068 0.000 1.251 599 H CB 1.069 30.884 29.762 0.088 0.000 1.493 599 H HN 0.378 nan 8.280 nan 0.000 0.515 600 Q N 1.945 121.842 119.800 0.162 0.000 2.297 600 Q HA 0.595 4.935 4.340 0.000 0.000 0.268 600 Q C -0.940 175.127 176.000 0.112 0.000 1.045 600 Q CA -1.185 54.693 55.803 0.125 0.000 0.861 600 Q CB 1.837 30.630 28.738 0.092 0.000 1.344 600 Q HN 0.605 nan 8.270 nan 0.000 0.452 601 L N 1.767 123.037 121.223 0.079 0.000 2.315 601 L HA 0.329 4.669 4.340 0.000 0.000 0.283 601 L C -0.347 176.530 176.870 0.012 0.000 1.089 601 L CA 0.173 55.040 54.840 0.045 0.000 0.833 601 L CB 0.186 42.263 42.059 0.030 0.000 1.170 601 L HN 0.844 nan 8.230 nan 0.000 0.442 602 N N 6.104 124.790 118.700 -0.025 0.000 2.508 602 N HA 0.503 5.243 4.740 0.000 0.000 0.285 602 N C -2.291 173.053 175.510 -0.277 0.000 1.144 602 N CA -1.253 51.714 53.050 -0.138 0.000 0.978 602 N CB 0.634 39.015 38.487 -0.176 0.000 1.180 602 N HN 0.563 nan 8.380 nan 0.000 0.484 603 P HA 0.065 nan 4.420 nan 0.000 0.279 603 P C -1.130 175.869 177.300 -0.502 0.000 1.276 603 P CA -0.333 62.580 63.100 -0.311 0.000 0.801 603 P CB 0.661 32.258 31.700 -0.170 0.000 1.127 604 D N 0.407 120.652 120.400 -0.258 0.000 2.342 604 D HA 0.031 4.671 4.640 0.000 0.000 0.260 604 D C 0.815 177.044 176.300 -0.119 0.000 1.278 604 D CA -0.098 53.787 54.000 -0.191 0.000 0.910 604 D CB -0.053 40.706 40.800 -0.068 0.000 1.079 604 D HN 0.187 nan 8.370 nan 0.000 0.496 605 F N 2.730 122.708 119.950 0.046 0.000 2.216 605 F HA -0.203 4.324 4.527 0.000 0.000 0.300 605 F C 2.179 178.000 175.800 0.035 0.000 1.085 605 F CA 0.041 58.071 58.000 0.051 0.000 1.326 605 F CB 0.129 39.119 39.000 -0.017 0.000 1.027 605 F HN 0.426 nan 8.300 nan 0.000 0.497 606 I N 0.536 121.215 120.570 0.181 0.000 2.233 606 I HA -0.218 3.952 4.170 0.000 0.000 0.243 606 I C 2.104 178.278 176.117 0.095 0.000 1.093 606 I CA 1.538 62.905 61.300 0.112 0.000 1.380 606 I CB -1.205 36.838 38.000 0.071 0.000 1.067 606 I HN 0.133 nan 8.210 nan 0.000 0.413 607 K N 0.249 120.693 120.400 0.074 0.000 2.148 607 K HA -0.161 4.159 4.320 0.000 0.000 0.204 607 K C 2.042 178.689 176.600 0.080 0.000 1.050 607 K CA 0.866 57.189 56.287 0.060 0.000 0.942 607 K CB -0.256 32.264 32.500 0.034 0.000 0.724 607 K HN 0.111 nan 8.250 nan 0.000 0.446 608 L N 1.292 122.582 121.223 0.110 0.000 1.994 608 L HA -0.141 4.199 4.340 0.000 0.000 0.208 608 L C 2.235 179.198 176.870 0.155 0.000 1.071 608 L CA 1.897 56.822 54.840 0.143 0.000 0.745 608 L CB -0.789 41.405 42.059 0.224 0.000 0.892 608 L HN 0.115 nan 8.230 nan 0.000 0.431 609 A N -0.436 122.489 122.820 0.175 0.000 1.873 609 A HA -0.283 4.037 4.320 0.000 0.000 0.218 609 A C 2.125 179.776 177.584 0.113 0.000 1.193 609 A CA 2.142 54.271 52.037 0.153 0.000 0.629 609 A CB -0.877 18.203 19.000 0.134 0.000 0.826 609 A HN 0.656 nan 8.150 nan 0.000 0.447 610 E N -0.300 119.955 120.200 0.093 0.000 2.118 610 E HA -0.117 4.233 4.350 0.000 0.000 0.195 610 E C 2.213 178.854 176.600 0.069 0.000 0.992 610 E CA 0.956 57.400 56.400 0.073 0.000 0.804 610 E CB -0.319 29.418 29.700 0.061 0.000 0.741 610 E HN 0.638 nan 8.360 nan 0.000 0.458 611 A N 1.018 123.881 122.820 0.072 0.000 1.969 611 A HA -0.100 4.220 4.320 0.000 0.000 0.218 611 A C 2.046 179.671 177.584 0.069 0.000 1.169 611 A CA 0.964 53.039 52.037 0.064 0.000 0.635 611 A CB -0.117 18.920 19.000 0.061 0.000 0.810 611 A HN 0.107 nan 8.150 nan 0.000 0.445 612 M N -1.509 118.142 119.600 0.085 0.000 2.595 612 M HA 0.120 4.600 4.480 0.000 0.000 0.248 612 M C 1.450 177.798 176.300 0.081 0.000 1.119 612 M CA 1.075 56.427 55.300 0.087 0.000 1.079 612 M CB -0.491 32.175 32.600 0.110 0.000 1.472 612 M HN 0.757 nan 8.290 nan 0.000 0.501 613 G N 1.639 110.484 108.800 0.075 0.000 2.163 613 G HA2 -0.180 3.780 3.960 0.000 0.000 0.213 613 G HA3 -0.180 3.780 3.960 0.000 0.000 0.213 613 G C -0.001 174.941 174.900 0.070 0.000 0.991 613 G CA 0.276 45.417 45.100 0.067 0.000 0.653 613 G HN 0.490 nan 8.290 nan 0.000 0.518 614 L N -2.622 118.649 121.223 0.080 0.000 2.279 614 L HA 0.931 5.271 4.340 0.000 0.000 0.262 614 L C 0.285 177.203 176.870 0.080 0.000 1.019 614 L CA -1.534 53.354 54.840 0.081 0.000 0.823 614 L CB 1.222 43.337 42.059 0.094 0.000 1.358 614 L HN 0.056 nan 8.230 nan 0.000 0.432 615 K N -0.006 120.441 120.400 0.079 0.000 2.326 615 K HA 0.551 4.871 4.320 0.000 0.000 0.275 615 K C -0.226 176.426 176.600 0.087 0.000 1.018 615 K CA 0.086 56.419 56.287 0.077 0.000 0.962 615 K CB 0.932 33.477 32.500 0.076 0.000 0.953 615 K HN 0.911 nan 8.250 nan 0.000 0.475 616 G N 3.886 112.730 108.800 0.074 0.000 2.530 616 G HA2 0.603 4.563 3.960 0.000 0.000 0.316 616 G HA3 0.603 4.563 3.960 0.000 0.000 0.316 616 G C -1.392 173.537 174.900 0.048 0.000 1.298 616 G CA -0.762 44.378 45.100 0.065 0.000 0.948 616 G HN 0.529 nan 8.290 nan 0.000 0.486 617 L N 1.171 122.407 121.223 0.023 0.000 2.388 617 L HA 0.714 5.054 4.340 0.000 0.000 0.264 617 L C -0.069 176.780 176.870 -0.036 0.000 0.998 617 L CA -1.023 53.817 54.840 0.001 0.000 0.817 617 L CB 2.927 44.988 42.059 0.004 0.000 1.338 617 L HN 0.542 nan 8.230 nan 0.000 0.414 618 R N 1.430 121.914 120.500 -0.026 0.000 2.686 618 R HA 0.808 5.148 4.340 0.000 0.000 0.283 618 R C -2.003 174.275 176.300 -0.038 0.000 0.978 618 R CA -0.532 55.549 56.100 -0.032 0.000 0.897 618 R CB 2.427 32.728 30.300 0.003 0.000 1.192 618 R HN 0.421 nan 8.270 nan 0.000 0.457 619 V N 4.891 124.773 119.914 -0.053 0.000 2.531 619 V HA 0.346 4.466 4.120 0.000 0.000 0.301 619 V C 0.086 176.159 176.094 -0.035 0.000 1.034 619 V CA -0.583 61.688 62.300 -0.047 0.000 0.865 619 V CB 1.844 33.625 31.823 -0.069 0.000 0.995 619 V HN 0.903 nan 8.190 nan 0.000 0.424 620 K N 2.166 122.553 120.400 -0.022 0.000 2.436 620 K HA 0.333 4.653 4.320 0.000 0.000 0.198 620 K C 0.133 176.723 176.600 -0.016 0.000 1.174 620 K CA 0.036 56.315 56.287 -0.014 0.000 0.951 620 K CB 0.844 33.341 32.500 -0.005 0.000 1.040 620 K HN 0.468 nan 8.250 nan 0.000 0.536 621 K N 1.108 121.497 120.400 -0.017 0.000 2.203 621 K HA 0.246 4.566 4.320 0.000 0.000 0.251 621 K C 0.465 177.052 176.600 -0.022 0.000 0.944 621 K CA -0.386 55.891 56.287 -0.017 0.000 0.829 621 K CB 1.800 34.293 32.500 -0.012 0.000 1.125 621 K HN -0.054 nan 8.250 nan 0.000 0.430 622 Q N 1.165 120.952 119.800 -0.022 0.000 2.152 622 Q HA -0.240 4.100 4.340 0.000 0.000 0.206 622 Q C 0.926 176.911 176.000 -0.024 0.000 0.985 622 Q CA 1.807 57.595 55.803 -0.026 0.000 0.863 622 Q CB 0.035 28.759 28.738 -0.023 0.000 0.904 622 Q HN 0.554 nan 8.270 nan 0.000 0.422 623 E N 0.349 120.538 120.200 -0.019 0.000 2.268 623 E HA -0.159 4.191 4.350 0.000 0.000 0.195 623 E C 1.492 178.082 176.600 -0.016 0.000 0.995 623 E CA 0.768 57.158 56.400 -0.016 0.000 0.836 623 E CB 0.101 29.793 29.700 -0.012 0.000 0.763 623 E HN 0.435 nan 8.360 nan 0.000 0.491 624 E N 0.327 120.517 120.200 -0.018 0.000 2.250 624 E HA -0.077 4.273 4.350 0.000 0.000 0.192 624 E C 1.852 178.439 176.600 -0.021 0.000 0.986 624 E CA -0.069 56.321 56.400 -0.017 0.000 0.849 624 E CB 0.073 29.762 29.700 -0.017 0.000 0.797 624 E HN 0.054 nan 8.360 nan 0.000 0.482 625 L N 2.292 123.498 121.223 -0.029 0.000 1.991 625 L HA -0.287 4.053 4.340 0.000 0.000 0.221 625 L C 1.586 178.440 176.870 -0.026 0.000 1.079 625 L CA 2.034 56.852 54.840 -0.037 0.000 0.778 625 L CB -0.487 41.545 42.059 -0.045 0.000 0.893 625 L HN 0.064 nan 8.230 nan 0.000 0.437 626 D N -0.525 119.862 120.400 -0.022 0.000 2.092 626 D HA -0.198 4.442 4.640 0.000 0.000 0.193 626 D C 2.120 178.419 176.300 -0.001 0.000 0.994 626 D CA 1.739 55.730 54.000 -0.014 0.000 0.828 626 D CB -0.286 40.504 40.800 -0.018 0.000 0.963 626 D HN 0.521 nan 8.370 nan 0.000 0.450 627 A N 1.172 123.991 122.820 -0.000 0.000 1.933 627 A HA -0.170 4.150 4.320 0.000 0.000 0.218 627 A C 2.081 179.679 177.584 0.022 0.000 1.175 627 A CA 1.302 53.345 52.037 0.009 0.000 0.628 627 A CB -0.201 18.802 19.000 0.005 0.000 0.814 627 A HN 0.003 nan 8.150 nan 0.000 0.444 628 K N -0.256 120.153 120.400 0.014 0.000 2.155 628 K HA 0.081 4.401 4.320 0.000 0.000 0.203 628 K C 1.844 178.480 176.600 0.061 0.000 1.052 628 K CA 0.741 57.041 56.287 0.022 0.000 0.948 628 K CB -0.493 31.996 32.500 -0.018 0.000 0.728 628 K HN 0.549 nan 8.250 nan 0.000 0.448 629 L N 0.698 121.953 121.223 0.052 0.000 2.093 629 L HA -0.154 4.186 4.340 0.000 0.000 0.208 629 L C 2.319 179.285 176.870 0.159 0.000 1.085 629 L CA 1.242 56.153 54.840 0.118 0.000 0.755 629 L CB -0.245 41.852 42.059 0.063 0.000 0.904 629 L HN 0.135 nan 8.230 nan 0.000 0.435 630 K N -0.082 120.371 120.400 0.088 0.000 2.057 630 K HA -0.216 4.104 4.320 0.000 0.000 0.206 630 K C 2.015 178.662 176.600 0.079 0.000 1.050 630 K CA 1.352 57.678 56.287 0.066 0.000 0.935 630 K CB -0.023 32.498 32.500 0.034 0.000 0.715 630 K HN 0.282 nan 8.250 nan 0.000 0.439 631 E N 0.436 120.692 120.200 0.093 0.000 2.106 631 E HA -0.200 4.150 4.350 0.000 0.000 0.192 631 E C 1.827 178.515 176.600 0.147 0.000 0.984 631 E CA 0.711 57.167 56.400 0.094 0.000 0.806 631 E CB -0.093 29.656 29.700 0.081 0.000 0.750 631 E HN 0.185 nan 8.360 nan 0.000 0.458 632 F N 1.171 121.125 119.950 0.007 0.000 2.046 632 F HA -0.207 4.320 4.527 0.000 0.000 0.297 632 F C 2.031 177.842 175.800 0.019 0.000 1.123 632 F CA 1.480 59.485 58.000 0.009 0.000 1.199 632 F CB -0.716 38.287 39.000 0.005 0.000 0.972 632 F HN -0.091 nan 8.300 nan 0.000 0.474 633 V N -0.536 119.344 119.914 -0.057 0.000 2.427 633 V HA -0.237 3.883 4.120 0.000 0.000 0.248 633 V C 2.336 178.373 176.094 -0.095 0.000 1.051 633 V CA 2.065 64.268 62.300 -0.162 0.000 1.048 633 V CB -0.796 31.007 31.823 -0.034 0.000 0.666 633 V HN 0.366 nan 8.190 nan 0.000 0.456 634 S N -1.261 114.422 115.700 -0.028 0.000 2.527 634 S HA -0.003 4.467 4.470 0.000 0.000 0.222 634 S C 1.027 175.619 174.600 -0.013 0.000 0.985 634 S CA 0.201 58.394 58.200 -0.013 0.000 0.921 634 S CB -0.129 63.076 63.200 0.008 0.000 0.772 634 S HN 0.612 nan 8.310 nan 0.000 0.529 635 T N 3.433 117.977 114.554 -0.016 0.000 2.930 635 T HA 0.140 4.490 4.350 0.000 0.000 0.306 635 T C 0.103 174.793 174.700 -0.017 0.000 1.045 635 T CA 0.384 62.483 62.100 -0.001 0.000 1.134 635 T CB 0.431 69.312 68.868 0.022 0.000 0.961 635 T HN 0.199 nan 8.240 nan 0.000 0.545 636 K N 1.915 122.316 120.400 0.001 0.000 2.156 636 K HA 0.597 4.917 4.320 0.000 0.000 0.271 636 K C 0.597 177.203 176.600 0.011 0.000 0.995 636 K CA -0.481 55.807 56.287 0.002 0.000 0.890 636 K CB 1.529 34.035 32.500 0.010 0.000 1.073 636 K HN 0.930 nan 8.250 nan 0.000 0.454 637 G N 2.894 111.700 108.800 0.011 0.000 2.663 637 G HA2 -0.137 3.823 3.960 0.000 0.000 0.686 637 G HA3 -0.137 3.823 3.960 0.000 0.000 0.686 637 G C -2.976 171.937 174.900 0.023 0.000 1.288 637 G CA -1.260 43.853 45.100 0.023 0.000 0.836 637 G HN 0.421 nan 8.290 nan 0.000 0.584 638 P HA 0.476 nan 4.420 nan 0.000 0.271 638 P C -0.336 177.005 177.300 0.068 0.000 1.216 638 P CA 0.019 63.150 63.100 0.051 0.000 0.776 638 P CB 1.817 33.558 31.700 0.069 0.000 0.881 639 V N 4.425 124.393 119.914 0.090 0.000 2.932 639 V HA 0.527 4.647 4.120 0.000 0.000 0.307 639 V C -1.550 174.693 176.094 0.250 0.000 1.147 639 V CA -1.095 61.297 62.300 0.153 0.000 0.951 639 V CB 2.220 34.142 31.823 0.164 0.000 1.031 639 V HN 0.478 nan 8.190 nan 0.000 0.426 640 L N 6.301 127.634 121.223 0.184 0.000 2.341 640 L HA 0.792 5.132 4.340 0.000 0.000 0.278 640 L C -1.523 175.330 176.870 -0.028 0.000 1.005 640 L CA -0.747 54.143 54.840 0.083 0.000 0.818 640 L CB 1.618 43.675 42.059 -0.005 0.000 1.259 640 L HN 0.779 nan 8.230 nan 0.000 0.418 641 L N 4.901 125.959 121.223 -0.276 0.000 2.342 641 L HA 0.486 4.826 4.340 0.000 0.000 0.276 641 L C -0.709 175.908 176.870 -0.422 0.000 0.997 641 L CA -0.007 54.561 54.840 -0.454 0.000 0.838 641 L CB 1.632 43.073 42.059 -1.030 0.000 1.224 641 L HN 0.697 nan 8.230 nan 0.000 0.416 642 E N 4.260 124.303 120.200 -0.262 0.000 2.197 642 E HA 0.509 4.859 4.350 0.000 0.000 0.281 642 E C -1.597 174.904 176.600 -0.165 0.000 0.995 642 E CA -0.634 55.632 56.400 -0.223 0.000 0.808 642 E CB 1.512 31.167 29.700 -0.075 0.000 1.093 642 E HN 0.555 nan 8.360 nan 0.000 0.394 643 V N 4.958 124.772 119.914 -0.166 0.000 2.378 643 V HA 0.184 4.304 4.120 0.000 0.000 0.288 643 V C -0.298 175.755 176.094 -0.068 0.000 1.016 643 V CA -0.768 61.462 62.300 -0.118 0.000 0.840 643 V CB 1.414 33.155 31.823 -0.136 0.000 0.994 643 V HN 0.732 nan 8.190 nan 0.000 0.431 644 E N 3.323 123.503 120.200 -0.034 0.000 2.299 644 E HA 0.371 4.721 4.350 0.000 0.000 0.272 644 E C -0.238 176.352 176.600 -0.017 0.000 1.043 644 E CA -0.100 56.298 56.400 -0.003 0.000 0.895 644 E CB 1.463 31.170 29.700 0.011 0.000 1.011 644 E HN 0.647 nan 8.360 nan 0.000 0.432 645 V N 0.168 120.077 119.914 -0.008 0.000 3.046 645 V HA 0.406 4.526 4.120 0.000 0.000 0.316 645 V C 0.040 176.135 176.094 0.002 0.000 1.104 645 V CA -1.273 61.010 62.300 -0.028 0.000 1.006 645 V CB 1.937 33.725 31.823 -0.058 0.000 1.058 645 V HN 0.425 nan 8.190 nan 0.000 0.440 646 D N 1.320 121.709 120.400 -0.017 0.000 2.419 646 D HA 0.214 4.854 4.640 0.000 0.000 0.236 646 D C -0.016 176.319 176.300 0.059 0.000 1.165 646 D CA 0.500 54.511 54.000 0.019 0.000 0.882 646 D CB 0.578 41.380 40.800 0.003 0.000 1.201 646 D HN 0.694 nan 8.370 nan 0.000 0.443 647 K N 1.806 122.260 120.400 0.091 0.000 2.166 647 K HA 0.317 4.637 4.320 0.000 0.000 0.245 647 K C 0.053 176.729 176.600 0.126 0.000 0.967 647 K CA -0.943 55.415 56.287 0.117 0.000 0.863 647 K CB 1.066 33.645 32.500 0.131 0.000 1.107 647 K HN 0.203 nan 8.250 nan 0.000 0.436 648 K N -0.282 120.188 120.400 0.116 0.000 3.077 648 K HA -0.147 4.173 4.320 0.000 0.000 0.264 648 K C -0.883 175.819 176.600 0.169 0.000 1.008 648 K CA 0.368 56.725 56.287 0.116 0.000 0.740 648 K CB -2.109 30.456 32.500 0.109 0.000 1.273 648 K HN 0.367 nan 8.250 nan 0.000 0.477 649 V N 2.464 122.510 119.914 0.220 0.000 2.364 649 V HA 0.236 4.356 4.120 0.000 0.000 0.272 649 V C -1.349 174.976 176.094 0.384 0.000 1.036 649 V CA -1.407 61.056 62.300 0.271 0.000 0.880 649 V CB 1.484 33.428 31.823 0.203 0.000 0.991 649 V HN 0.113 nan 8.190 nan 0.000 0.460 650 P HA 0.241 nan 4.420 nan 0.000 0.277 650 P C -0.628 176.867 177.300 0.325 0.000 1.240 650 P CA -0.217 63.039 63.100 0.259 0.000 0.798 650 P CB 1.572 33.392 31.700 0.200 0.000 0.979 651 V N 4.142 124.104 119.914 0.079 0.000 2.432 651 V HA 0.263 4.383 4.120 0.000 0.000 0.271 651 V C 0.632 176.774 176.094 0.080 0.000 1.046 651 V CA 0.028 62.274 62.300 -0.089 0.000 0.945 651 V CB 0.116 31.455 31.823 -0.807 0.000 0.992 651 V HN 0.391 nan 8.190 nan 0.000 0.471 652 L N 6.292 127.656 121.223 0.235 0.000 2.376 652 L HA 0.590 4.930 4.340 0.000 0.000 0.258 652 L C -2.537 174.523 176.870 0.317 0.000 1.013 652 L CA -2.026 52.998 54.840 0.306 0.000 0.822 652 L CB 2.669 44.943 42.059 0.359 0.000 1.388 652 L HN 0.389 nan 8.230 nan 0.000 0.413 653 P HA 0.240 nan 4.420 nan 0.000 0.271 653 P C -1.153 176.322 177.300 0.292 0.000 1.244 653 P CA -0.313 62.929 63.100 0.236 0.000 0.793 653 P CB 0.568 32.257 31.700 -0.019 0.000 0.984 654 M N 0.742 120.489 119.600 0.246 0.000 2.324 654 M HA 0.441 4.921 4.480 0.000 0.000 0.288 654 M C -2.099 174.257 176.300 0.094 0.000 1.097 654 M CA -0.762 54.631 55.300 0.155 0.000 0.928 654 M CB 1.863 34.577 32.600 0.190 0.000 1.648 654 M HN -0.075 nan 8.290 nan 0.000 0.460 655 V N 4.031 123.945 119.914 0.001 0.000 2.409 655 V HA 0.941 5.061 4.120 0.000 0.000 0.290 655 V C -0.551 175.547 176.094 0.006 0.000 1.017 655 V CA -0.340 61.977 62.300 0.030 0.000 0.841 655 V CB 1.089 32.936 31.823 0.039 0.000 1.003 655 V HN 0.959 nan 8.190 nan 0.000 0.426 656 A N 3.424 126.263 122.820 0.030 0.000 2.569 656 A HA 1.023 5.343 4.320 0.000 0.000 0.290 656 A C 0.417 178.019 177.584 0.030 0.000 1.136 656 A CA 0.082 52.147 52.037 0.047 0.000 0.710 656 A CB 1.507 20.510 19.000 0.005 0.000 1.303 656 A HN 2.100 nan 8.150 nan 0.000 0.413 657 G N 0.025 108.827 108.800 0.003 0.000 2.527 657 G HA2 0.144 4.104 3.960 0.000 0.000 0.268 657 G HA3 0.144 4.104 3.960 0.000 0.000 0.268 657 G C 1.058 175.957 174.900 -0.001 0.000 1.175 657 G CA 0.686 45.769 45.100 -0.028 0.000 0.962 657 G HN 2.202 nan 8.290 nan 0.000 0.560 658 G N 0.171 108.970 108.800 -0.001 0.000 3.233 658 G HA2 0.453 4.413 3.960 0.000 0.000 0.227 658 G HA3 0.453 4.413 3.960 0.000 0.000 0.227 658 G C 0.722 175.627 174.900 0.008 0.000 1.175 658 G CA 1.333 46.435 45.100 0.003 0.000 0.781 658 G HN 1.131 nan 8.290 nan 0.000 0.542 659 S N 0.121 115.828 115.700 0.012 0.000 2.562 659 S HA 0.483 4.953 4.470 0.000 0.000 0.281 659 S C 0.887 175.499 174.600 0.021 0.000 1.333 659 S CA -0.131 58.075 58.200 0.009 0.000 1.052 659 S CB 1.512 64.718 63.200 0.011 0.000 0.884 659 S HN 0.386 nan 8.310 nan 0.000 0.506 660 G N 0.638 109.448 108.800 0.016 0.000 2.504 660 G HA2 0.419 4.379 3.960 0.000 0.000 0.288 660 G HA3 0.419 4.379 3.960 0.000 0.000 0.288 660 G C 0.784 175.712 174.900 0.046 0.000 1.182 660 G CA -0.835 44.286 45.100 0.036 0.000 0.894 660 G HN 0.720 nan 8.290 nan 0.000 0.521 661 L N 0.191 121.456 121.223 0.069 0.000 2.263 661 L HA -0.091 4.249 4.340 0.000 0.000 0.216 661 L C 2.120 179.053 176.870 0.105 0.000 1.111 661 L CA 1.488 56.371 54.840 0.072 0.000 0.773 661 L CB -0.133 41.963 42.059 0.062 0.000 0.906 661 L HN 0.709 nan 8.230 nan 0.000 0.439 662 D N -0.893 119.532 120.400 0.043 0.000 2.339 662 D HA -0.089 4.551 4.640 0.000 0.000 0.217 662 D C 0.573 176.771 176.300 -0.170 0.000 1.050 662 D CA 0.182 54.188 54.000 0.009 0.000 0.856 662 D CB 0.044 40.800 40.800 -0.073 0.000 0.922 662 D HN 0.388 nan 8.370 nan 0.000 0.518 663 E N 0.760 120.890 120.200 -0.116 0.000 2.663 663 E HA 0.176 4.526 4.350 0.000 0.000 0.240 663 E C -0.485 176.013 176.600 -0.170 0.000 1.227 663 E CA -0.626 55.648 56.400 -0.210 0.000 1.528 663 E CB -0.093 29.547 29.700 -0.101 0.000 1.472 663 E HN 0.303 nan 8.360 nan 0.000 0.433 664 F N -0.928 118.977 119.950 -0.075 0.000 2.370 664 F HA 0.489 5.016 4.527 0.000 0.000 0.324 664 F C 0.151 175.941 175.800 -0.017 0.000 1.116 664 F CA -1.321 56.649 58.000 -0.051 0.000 1.123 664 F CB 0.400 39.355 39.000 -0.075 0.000 1.238 664 F HN -0.165 nan 8.300 nan 0.000 0.536 665 I N 2.473 123.188 120.570 0.241 0.000 2.342 665 I HA 0.216 4.386 4.170 0.000 0.000 0.291 665 I C -0.315 176.013 176.117 0.353 0.000 1.010 665 I CA -0.237 61.169 61.300 0.177 0.000 1.308 665 I CB 1.100 39.160 38.000 0.100 0.000 1.400 665 I HN 0.687 nan 8.210 nan 0.000 0.488 666 N N 4.797 123.704 118.700 0.345 0.000 2.432 666 N HA 0.365 5.105 4.740 0.000 0.000 0.292 666 N C -0.814 174.890 175.510 0.324 0.000 1.193 666 N CA -0.576 52.727 53.050 0.422 0.000 0.878 666 N CB 1.178 39.992 38.487 0.545 0.000 1.252 666 N HN 0.316 nan 8.380 nan 0.000 0.520 667 F N 1.527 121.614 119.950 0.227 0.000 2.529 667 F HA 0.275 4.802 4.527 0.000 0.000 0.365 667 F C -0.215 175.668 175.800 0.138 0.000 1.102 667 F CA 0.207 58.316 58.000 0.182 0.000 1.271 667 F CB 0.463 39.585 39.000 0.204 0.000 1.120 667 F HN 0.340 nan 8.300 nan 0.000 0.579 668 D N 7.852 127.713 120.400 -0.897 0.000 2.616 668 D HA 0.255 4.895 4.640 0.000 0.000 0.238 668 D C -2.329 173.415 176.300 -0.927 0.000 1.354 668 D CA -1.788 51.785 54.000 -0.712 0.000 0.970 668 D CB 2.364 42.998 40.800 -0.276 0.000 1.369 668 D HN 0.182 nan 8.370 nan 0.000 0.585 669 P HA -0.159 nan 4.420 nan 0.000 0.216 669 P C 0.956 178.139 177.300 -0.195 0.000 1.157 669 P CA 1.359 64.227 63.100 -0.385 0.000 0.880 669 P CB 0.475 32.108 31.700 -0.113 0.000 0.791 670 E N -0.695 119.407 120.200 -0.164 0.000 2.051 670 E HA -0.120 4.230 4.350 0.000 0.000 0.192 670 E C 2.010 178.558 176.600 -0.086 0.000 0.991 670 E CA 1.160 57.505 56.400 -0.093 0.000 0.799 670 E CB -0.699 28.956 29.700 -0.074 0.000 0.748 670 E HN 0.058 nan 8.360 nan 0.000 0.449 671 V N 1.578 121.421 119.914 -0.118 0.000 2.343 671 V HA -0.271 3.849 4.120 0.000 0.000 0.247 671 V C 2.375 178.441 176.094 -0.047 0.000 1.051 671 V CA 2.063 64.316 62.300 -0.078 0.000 1.036 671 V CB -0.511 31.261 31.823 -0.084 0.000 0.654 671 V HN 0.298 nan 8.190 nan 0.000 0.451 672 E N 0.118 120.282 120.200 -0.060 0.000 2.110 672 E HA -0.240 4.110 4.350 0.000 0.000 0.193 672 E C 2.465 179.081 176.600 0.027 0.000 0.988 672 E CA 1.265 57.684 56.400 0.031 0.000 0.804 672 E CB -0.037 29.736 29.700 0.121 0.000 0.745 672 E HN 0.516 nan 8.360 nan 0.000 0.458 673 R N -0.091 120.412 120.500 0.005 0.000 2.092 673 R HA -0.114 4.226 4.340 0.000 0.000 0.231 673 R C 2.558 178.851 176.300 -0.011 0.000 1.119 673 R CA 1.578 57.682 56.100 0.006 0.000 0.970 673 R CB -0.116 30.188 30.300 0.007 0.000 0.864 673 R HN 0.329 nan 8.270 nan 0.000 0.440 674 Q N 0.038 119.828 119.800 -0.017 0.000 2.084 674 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 674 Q C 2.152 178.134 176.000 -0.029 0.000 0.978 674 Q CA 0.984 56.775 55.803 -0.021 0.000 0.844 674 Q CB 0.017 28.742 28.738 -0.021 0.000 0.898 674 Q HN 0.281 nan 8.270 nan 0.000 0.426 675 Q N -0.064 119.730 119.800 -0.011 0.000 2.119 675 Q HA -0.099 4.241 4.340 0.000 0.000 0.201 675 Q C 2.089 178.055 176.000 -0.057 0.000 0.972 675 Q CA 1.446 57.255 55.803 0.009 0.000 0.847 675 Q CB -0.220 28.564 28.738 0.078 0.000 0.903 675 Q HN 0.394 nan 8.270 nan 0.000 0.433 676 T N 1.417 115.924 114.554 -0.079 0.000 2.833 676 T HA -0.109 4.241 4.350 0.000 0.000 0.269 676 T C 1.524 175.988 174.700 -0.394 0.000 1.054 676 T CA 1.006 62.972 62.100 -0.224 0.000 1.135 676 T CB 0.063 68.848 68.868 -0.138 0.000 0.869 676 T HN 0.215 nan 8.240 nan 0.000 0.466 677 E N 0.827 120.925 120.200 -0.171 0.000 2.076 677 E HA 0.028 4.378 4.350 0.000 0.000 0.190 677 E C 2.190 178.735 176.600 -0.091 0.000 0.979 677 E CA 0.460 56.815 56.400 -0.076 0.000 0.807 677 E CB -0.521 29.174 29.700 -0.008 0.000 0.761 677 E HN 0.300 nan 8.360 nan 0.000 0.454 678 L N 1.552 122.693 121.223 -0.137 0.000 2.083 678 L HA -0.127 4.213 4.340 0.000 0.000 0.209 678 L C 2.481 179.160 176.870 -0.319 0.000 1.083 678 L CA 1.702 56.430 54.840 -0.187 0.000 0.752 678 L CB -0.364 41.583 42.059 -0.188 0.000 0.899 678 L HN -0.031 nan 8.230 nan 0.000 0.433 679 R N -1.894 118.363 120.500 -0.406 0.000 2.073 679 R HA -0.185 4.155 4.340 0.000 0.000 0.234 679 R C 2.351 178.638 176.300 -0.022 0.000 1.134 679 R CA 1.438 57.340 56.100 -0.329 0.000 0.952 679 R CB -0.311 29.931 30.300 -0.097 0.000 0.850 679 R HN 0.478 nan 8.270 nan 0.000 0.433 680 H N 0.692 119.760 119.070 -0.003 0.000 2.319 680 H HA -0.129 4.427 4.556 0.000 0.000 0.299 680 H C 1.956 177.284 175.328 -0.001 0.000 1.092 680 H CA 1.447 57.507 56.048 0.020 0.000 1.302 680 H CB -0.240 29.530 29.762 0.012 0.000 1.373 680 H HN 0.148 nan 8.280 nan 0.000 0.497 681 K N 1.491 121.953 120.400 0.104 0.000 2.002 681 K HA -0.123 4.197 4.320 0.000 0.000 0.209 681 K C 2.223 178.837 176.600 0.024 0.000 1.048 681 K CA 1.085 57.398 56.287 0.044 0.000 0.930 681 K CB -0.078 32.429 32.500 0.012 0.000 0.714 681 K HN 0.206 nan 8.250 nan 0.000 0.438 682 R N -0.031 120.461 120.500 -0.013 0.000 2.152 682 R HA -0.083 4.257 4.340 0.000 0.000 0.232 682 R C 1.913 178.240 176.300 0.046 0.000 1.117 682 R CA 1.813 57.911 56.100 -0.002 0.000 0.981 682 R CB -0.193 30.079 30.300 -0.046 0.000 0.870 682 R HN 0.441 nan 8.270 nan 0.000 0.451 683 T N -3.708 110.901 114.554 0.091 0.000 3.069 683 T HA 0.199 4.549 4.350 0.000 0.000 0.252 683 T C 1.067 175.815 174.700 0.082 0.000 1.053 683 T CA 0.289 62.471 62.100 0.138 0.000 0.964 683 T CB 0.910 69.948 68.868 0.282 0.000 1.005 683 T HN 0.308 nan 8.240 nan 0.000 0.532 684 G N 0.957 109.791 108.800 0.057 0.000 2.295 684 G HA2 0.121 4.081 3.960 0.000 0.000 0.287 684 G HA3 0.121 4.081 3.960 0.000 0.000 0.287 684 G C 1.117 176.019 174.900 0.004 0.000 1.055 684 G CA 0.311 45.426 45.100 0.025 0.000 0.922 684 G HN 1.754 nan 8.290 nan 0.000 0.503 685 G N -0.975 107.839 108.800 0.023 0.000 2.189 685 G HA2 -0.358 3.602 3.960 0.000 0.000 0.267 685 G HA3 -0.358 3.602 3.960 0.000 0.000 0.267 685 G C 1.221 176.075 174.900 -0.077 0.000 0.975 685 G CA 1.462 46.536 45.100 -0.043 0.000 0.644 685 G HN 0.935 nan 8.290 nan 0.000 0.537 686 K N -0.622 119.724 120.400 -0.089 0.000 2.217 686 K HA 0.073 4.393 4.320 0.000 0.000 0.202 686 K C 0.915 177.169 176.600 -0.575 0.000 1.051 686 K CA 0.982 57.081 56.287 -0.313 0.000 0.952 686 K CB 0.049 32.353 32.500 -0.328 0.000 0.736 686 K HN 0.628 nan 8.250 nan 0.000 0.453 687 H N 0.000 119.153 119.070 0.138 0.000 2.539 687 H HA 0.000 4.556 4.556 0.000 0.000 0.296 687 H CA 0.000 56.149 56.048 0.168 0.000 1.023 687 H CB 0.000 29.853 29.762 0.152 0.000 1.292 687 H HN 0.000 nan 8.280 nan 0.000 0.496