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 3q3v_1_B DATA FIRST_RESID 4 DATA SEQUENCE IISIKDIDLA KKKVFIRCDF NVPQDDFLNI TDDRRIRSAI PTIRYCLDNG DATA SEQUENCE CSVILASHLG RPKEISSKYS LEPVAKRLAR LLDKEIVXAK DVIGEDAKTK DATA SEQUENCE AXNLKAGEIL LLENLRFEKG ETKNDENLAK ELASXVQVYI NDAFGVCHRA DATA SEQUENCE HSSVEAITKF FDEKHKGAGF LLQKEIDFAS NLIKHPARPF VAVVGGSKVS DATA SEQUENCE GKLQALTNLL PKVDKLIIGG GXAFTFLKAL GYDIGNSLLE EELLEEANKI DATA SEQUENCE LTKGKNLGVK IYLPVDVVAA PACSQDVPXK FVPAQEIPNG WXGLDIGPAS DATA SEQUENCE VRLFKEVISD AQTIWWNGPX GVFEIDKFSK GSIKXSHYIS EGHATSVVGG DATA SEQUENCE GDTADVVARA GDADEXTFIS TGXGASLELI EGKELPGVKA LRS 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.110 176.117 -0.011 0.000 1.063 4 I CA 0.000 61.299 61.300 -0.001 0.000 1.566 4 I CB 0.000 37.998 38.000 -0.003 0.000 1.214 5 I N 4.330 124.897 120.570 -0.004 0.000 2.598 5 I HA 0.113 4.283 4.170 -0.000 0.000 0.284 5 I C 0.749 176.838 176.117 -0.047 0.000 1.140 5 I CA 0.658 61.949 61.300 -0.015 0.000 1.420 5 I CB 0.957 38.960 38.000 0.005 0.000 1.387 5 I HN 0.523 nan 8.210 nan 0.000 0.553 6 S N 5.864 121.522 115.700 -0.069 0.000 2.565 6 S HA 0.335 4.805 4.470 -0.000 0.000 0.290 6 S C 1.154 175.658 174.600 -0.160 0.000 1.150 6 S CA -0.792 57.331 58.200 -0.129 0.000 1.058 6 S CB 1.132 64.262 63.200 -0.117 0.000 1.032 6 S HN 0.670 nan 8.310 nan 0.000 0.510 7 I N 3.502 123.903 120.570 -0.281 0.000 2.236 7 I HA -0.200 3.970 4.170 -0.000 0.000 0.249 7 I C 1.887 177.900 176.117 -0.173 0.000 1.102 7 I CA 1.484 62.613 61.300 -0.285 0.000 1.365 7 I CB -0.086 37.595 38.000 -0.532 0.000 1.051 7 I HN 0.694 nan 8.210 nan 0.000 0.420 8 K N 0.406 120.685 120.400 -0.202 0.000 2.209 8 K HA -0.171 4.149 4.320 -0.000 0.000 0.204 8 K C 1.332 177.946 176.600 0.022 0.000 1.048 8 K CA 1.310 57.584 56.287 -0.021 0.000 0.940 8 K CB -0.346 32.159 32.500 0.007 0.000 0.729 8 K HN 0.505 nan 8.250 nan 0.000 0.451 9 D N 0.295 120.685 120.400 -0.017 0.000 2.347 9 D HA -0.007 4.632 4.640 -0.000 0.000 0.213 9 D C 0.593 176.890 176.300 -0.006 0.000 0.985 9 D CA 0.403 54.399 54.000 -0.005 0.000 0.879 9 D CB 0.286 41.077 40.800 -0.015 0.000 0.919 9 D HN 0.023 nan 8.370 nan 0.000 0.526 10 I N 1.371 121.935 120.570 -0.010 0.000 2.428 10 I HA 0.097 4.267 4.170 -0.000 0.000 0.296 10 I C 0.250 176.362 176.117 -0.008 0.000 0.985 10 I CA -1.233 60.050 61.300 -0.027 0.000 1.260 10 I CB 1.316 39.292 38.000 -0.039 0.000 1.389 10 I HN -0.231 nan 8.210 nan 0.000 0.484 11 D N 6.055 126.427 120.400 -0.046 0.000 2.339 11 D HA 0.342 4.982 4.640 -0.000 0.000 0.241 11 D C 0.261 176.538 176.300 -0.038 0.000 1.183 11 D CA -0.246 53.736 54.000 -0.030 0.000 0.859 11 D CB 0.581 41.356 40.800 -0.040 0.000 1.067 11 D HN 0.341 nan 8.370 nan 0.000 0.484 12 L N 1.970 123.192 121.223 -0.002 0.000 3.016 12 L HA 0.603 4.943 4.340 -0.000 0.000 0.267 12 L C 0.753 177.622 176.870 -0.001 0.000 1.182 12 L CA -0.847 53.998 54.840 0.008 0.000 0.997 12 L CB -0.684 41.395 42.059 0.034 0.000 1.354 12 L HN 0.263 nan 8.230 nan 0.000 0.569 13 A N 1.120 123.931 122.820 -0.016 0.000 2.546 13 A HA 0.329 4.648 4.320 -0.000 0.000 0.243 13 A C 1.056 178.639 177.584 -0.002 0.000 1.063 13 A CA 0.407 52.430 52.037 -0.025 0.000 0.757 13 A CB -0.240 18.744 19.000 -0.025 0.000 0.991 13 A HN 0.505 nan 8.150 nan 0.000 0.503 14 K N -0.121 120.278 120.400 -0.002 0.000 3.130 14 K HA -0.195 4.125 4.320 -0.000 0.000 0.282 14 K C -0.066 176.554 176.600 0.034 0.000 1.145 14 K CA 1.794 58.089 56.287 0.014 0.000 0.831 14 K CB -1.394 31.114 32.500 0.015 0.000 1.226 14 K HN 0.794 nan 8.250 nan 0.000 0.478 15 K N 1.134 121.558 120.400 0.041 0.000 2.139 15 K HA 0.320 4.640 4.320 -0.000 0.000 0.243 15 K C -0.136 176.509 176.600 0.075 0.000 0.983 15 K CA -0.893 55.436 56.287 0.070 0.000 0.890 15 K CB 1.299 33.851 32.500 0.086 0.000 1.090 15 K HN -0.038 nan 8.250 nan 0.000 0.445 16 K N 1.836 122.296 120.400 0.101 0.000 2.262 16 K HA 0.240 4.560 4.320 -0.000 0.000 0.282 16 K C -1.226 175.455 176.600 0.135 0.000 1.066 16 K CA -0.403 55.948 56.287 0.107 0.000 0.901 16 K CB 0.772 33.340 32.500 0.113 0.000 1.089 16 K HN 0.237 nan 8.250 nan 0.000 0.476 17 V N 5.500 125.482 119.914 0.115 0.000 2.604 17 V HA 0.370 4.490 4.120 -0.000 0.000 0.305 17 V C -0.893 175.286 176.094 0.141 0.000 1.043 17 V CA -0.935 61.434 62.300 0.115 0.000 0.888 17 V CB 1.356 33.216 31.823 0.063 0.000 0.995 17 V HN 0.664 nan 8.190 nan 0.000 0.429 18 F N 5.803 125.750 119.950 -0.004 0.000 2.404 18 F HA 0.661 5.188 4.527 -0.000 0.000 0.354 18 F C -0.207 175.520 175.800 -0.121 0.000 1.122 18 F CA -0.595 57.403 58.000 -0.003 0.000 1.080 18 F CB 0.744 39.796 39.000 0.086 0.000 1.131 18 F HN 0.322 nan 8.300 nan 0.000 0.471 19 I N 6.908 127.333 120.570 -0.242 0.000 2.382 19 I HA 0.339 4.509 4.170 -0.000 0.000 0.285 19 I C -0.178 175.732 176.117 -0.345 0.000 1.007 19 I CA -1.011 60.148 61.300 -0.234 0.000 1.142 19 I CB 1.146 39.044 38.000 -0.170 0.000 1.289 19 I HN 0.390 nan 8.210 nan 0.000 0.453 20 R N 5.289 125.692 120.500 -0.162 0.000 2.242 20 R HA 0.358 4.698 4.340 -0.000 0.000 0.334 20 R C -1.138 175.057 176.300 -0.176 0.000 1.071 20 R CA -0.082 55.982 56.100 -0.059 0.000 0.922 20 R CB 0.396 30.841 30.300 0.241 0.000 1.023 20 R HN 0.654 nan 8.270 nan 0.000 0.458 21 C N 1.970 121.063 119.300 -0.345 0.000 2.470 21 C HA 0.323 4.783 4.460 -0.000 0.000 0.341 21 C C 0.196 174.903 174.990 -0.472 0.000 1.190 21 C CA -0.798 57.897 59.018 -0.539 0.000 1.904 21 C CB 1.649 28.655 27.740 -1.222 0.000 2.354 21 C HN 0.664 nan 8.230 nan 0.000 0.509 22 D N 0.612 120.804 120.400 -0.346 0.000 2.467 22 D HA 0.354 4.994 4.640 -0.000 0.000 0.220 22 D C -0.514 175.736 176.300 -0.083 0.000 1.103 22 D CA -0.334 53.575 54.000 -0.152 0.000 0.886 22 D CB -0.016 40.796 40.800 0.020 0.000 1.025 22 D HN 0.333 nan 8.370 nan 0.000 0.514 23 F N 1.948 121.840 119.950 -0.097 0.000 2.772 23 F HA 0.238 4.765 4.527 -0.000 0.000 0.302 23 F C 1.040 176.749 175.800 -0.151 0.000 1.136 23 F CA -0.890 57.050 58.000 -0.100 0.000 1.322 23 F CB -0.749 38.199 39.000 -0.086 0.000 0.967 23 F HN 0.248 nan 8.300 nan 0.000 0.513 24 N N 2.056 120.715 118.700 -0.069 0.000 2.971 24 N HA 0.124 4.863 4.740 -0.000 0.000 0.294 24 N C -0.394 175.113 175.510 -0.004 0.000 1.210 24 N CA 0.067 53.033 53.050 -0.139 0.000 1.157 24 N CB -0.059 38.266 38.487 -0.269 0.000 1.450 24 N HN 0.068 nan 8.380 nan 0.000 0.527 25 V N 0.536 120.465 119.914 0.025 0.000 2.785 25 V HA 0.697 4.817 4.120 -0.000 0.000 0.300 25 V C -2.074 174.042 176.094 0.037 0.000 1.062 25 V CA -1.967 60.351 62.300 0.030 0.000 1.029 25 V CB 0.990 32.823 31.823 0.017 0.000 1.024 25 V HN 0.279 nan 8.190 nan 0.000 0.477 26 P HA 0.407 nan 4.420 nan 0.000 0.275 26 P C -1.004 176.318 177.300 0.037 0.000 1.228 26 P CA -0.153 62.973 63.100 0.043 0.000 0.786 26 P CB 0.813 32.536 31.700 0.039 0.000 0.927 27 Q N 0.607 120.432 119.800 0.041 0.000 2.456 27 Q HA 0.341 4.680 4.340 -0.000 0.000 0.283 27 Q C -0.607 175.414 176.000 0.035 0.000 1.084 27 Q CA -0.829 54.994 55.803 0.034 0.000 0.801 27 Q CB 1.829 30.578 28.738 0.019 0.000 1.434 27 Q HN 0.485 nan 8.270 nan 0.000 0.419 28 D N -0.778 119.653 120.400 0.052 0.000 2.506 28 D HA 0.076 4.716 4.640 -0.000 0.000 0.272 28 D C -0.007 176.289 176.300 -0.007 0.000 1.214 28 D CA -0.326 53.706 54.000 0.052 0.000 1.067 28 D CB 0.535 41.421 40.800 0.143 0.000 1.117 28 D HN 0.316 nan 8.370 nan 0.000 0.578 29 D N -1.192 119.142 120.400 -0.111 0.000 2.312 29 D HA -0.052 4.588 4.640 -0.000 0.000 0.211 29 D C 1.337 177.469 176.300 -0.280 0.000 0.964 29 D CA 0.632 54.490 54.000 -0.236 0.000 0.877 29 D CB -0.246 40.347 40.800 -0.345 0.000 0.924 29 D HN 0.334 nan 8.370 nan 0.000 0.515 30 F N 0.057 119.988 119.950 -0.032 0.000 2.748 30 F HA 0.148 4.675 4.527 -0.000 0.000 0.299 30 F C 1.455 177.234 175.800 -0.035 0.000 1.154 30 F CA 0.275 58.257 58.000 -0.030 0.000 1.446 30 F CB -0.178 38.808 39.000 -0.022 0.000 1.112 30 F HN -0.176 nan 8.300 nan 0.000 0.584 31 L N -1.777 119.502 121.223 0.092 0.000 4.800 31 L HA -0.287 4.053 4.340 -0.000 0.000 0.412 31 L C -0.202 176.701 176.870 0.054 0.000 1.063 31 L CA -0.204 54.657 54.840 0.035 0.000 1.114 31 L CB -2.125 39.938 42.059 0.007 0.000 2.089 31 L HN 0.152 nan 8.230 nan 0.000 0.686 32 N N 1.546 120.304 118.700 0.096 0.000 2.458 32 N HA 0.313 5.053 4.740 -0.000 0.000 0.258 32 N C 0.274 175.805 175.510 0.036 0.000 1.219 32 N CA 0.195 53.278 53.050 0.056 0.000 0.902 32 N CB 0.892 39.414 38.487 0.058 0.000 1.076 32 N HN 0.240 nan 8.380 nan 0.000 0.455 33 I N 1.304 121.881 120.570 0.011 0.000 2.533 33 I HA -0.059 4.111 4.170 -0.000 0.000 0.284 33 I C 1.779 177.901 176.117 0.009 0.000 1.109 33 I CA 0.116 61.418 61.300 0.004 0.000 1.412 33 I CB 0.665 38.654 38.000 -0.019 0.000 1.396 33 I HN 0.618 nan 8.210 nan 0.000 0.543 34 T N -0.268 114.296 114.554 0.017 0.000 3.014 34 T HA 0.112 4.462 4.350 -0.000 0.000 0.250 34 T C 0.212 174.918 174.700 0.010 0.000 1.060 34 T CA -0.065 62.047 62.100 0.019 0.000 1.040 34 T CB 0.195 69.083 68.868 0.033 0.000 0.971 34 T HN 0.526 nan 8.240 nan 0.000 0.497 35 D N 1.658 122.061 120.400 0.004 0.000 2.616 35 D HA 0.233 4.873 4.640 -0.000 0.000 0.238 35 D C -1.053 175.242 176.300 -0.009 0.000 1.354 35 D CA -0.528 53.469 54.000 -0.005 0.000 0.970 35 D CB 1.665 42.461 40.800 -0.007 0.000 1.369 35 D HN 0.179 nan 8.370 nan 0.000 0.585 36 D N 2.577 122.968 120.400 -0.015 0.000 2.388 36 D HA 0.047 4.687 4.640 -0.000 0.000 0.221 36 D C 1.426 177.720 176.300 -0.010 0.000 1.133 36 D CA -0.267 53.721 54.000 -0.021 0.000 0.831 36 D CB 0.104 40.883 40.800 -0.035 0.000 0.962 36 D HN 0.313 nan 8.370 nan 0.000 0.502 37 R N 0.927 121.420 120.500 -0.011 0.000 2.105 37 R HA -0.047 4.293 4.340 -0.000 0.000 0.239 37 R C 1.955 178.262 176.300 0.012 0.000 1.135 37 R CA 1.239 57.330 56.100 -0.014 0.000 0.967 37 R CB 0.050 30.324 30.300 -0.044 0.000 0.861 37 R HN 0.076 nan 8.270 nan 0.000 0.442 38 R N -0.034 120.486 120.500 0.033 0.000 2.105 38 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 38 R C 2.285 178.688 176.300 0.171 0.000 1.135 38 R CA 1.806 57.961 56.100 0.092 0.000 0.967 38 R CB -0.352 30.014 30.300 0.110 0.000 0.861 38 R HN 0.312 nan 8.270 nan 0.000 0.442 39 I N 0.247 120.891 120.570 0.123 0.000 2.252 39 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 39 I C 2.374 178.545 176.117 0.090 0.000 1.102 39 I CA 1.320 62.671 61.300 0.085 0.000 1.385 39 I CB -0.240 37.678 38.000 -0.137 0.000 1.064 39 I HN 0.110 nan 8.210 nan 0.000 0.414 40 R N 0.358 120.886 120.500 0.047 0.000 2.081 40 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 40 R C 2.440 178.784 176.300 0.072 0.000 1.131 40 R CA 1.618 57.744 56.100 0.043 0.000 0.960 40 R CB -0.381 29.930 30.300 0.018 0.000 0.856 40 R HN 0.229 nan 8.270 nan 0.000 0.436 41 S N 0.457 116.206 115.700 0.082 0.000 2.442 41 S HA -0.083 4.387 4.470 -0.000 0.000 0.236 41 S C 1.847 176.524 174.600 0.128 0.000 1.007 41 S CA 1.060 59.318 58.200 0.096 0.000 0.965 41 S CB 0.046 63.296 63.200 0.083 0.000 0.773 41 S HN 0.465 nan 8.310 nan 0.000 0.504 42 A N 0.878 123.795 122.820 0.161 0.000 2.119 42 A HA 0.181 4.500 4.320 -0.000 0.000 0.216 42 A C 1.875 179.555 177.584 0.161 0.000 1.152 42 A CA 0.385 52.526 52.037 0.173 0.000 0.708 42 A CB -0.467 18.710 19.000 0.295 0.000 0.805 42 A HN 0.480 nan 8.150 nan 0.000 0.460 43 I N 0.153 120.806 120.570 0.139 0.000 2.226 43 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 43 I C -0.601 175.587 176.117 0.118 0.000 1.100 43 I CA 1.170 62.538 61.300 0.114 0.000 1.374 43 I CB -1.015 37.031 38.000 0.076 0.000 1.057 43 I HN 0.181 nan 8.210 nan 0.000 0.413 44 P HA -0.156 nan 4.420 nan 0.000 0.216 44 P C 1.664 179.107 177.300 0.238 0.000 1.153 44 P CA 1.657 64.824 63.100 0.111 0.000 0.858 44 P CB -0.133 31.592 31.700 0.041 0.000 0.789 45 T N -0.781 113.945 114.554 0.286 0.000 2.777 45 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 45 T C 1.774 176.618 174.700 0.239 0.000 1.040 45 T CA 1.029 63.318 62.100 0.315 0.000 1.141 45 T CB -0.823 68.126 68.868 0.134 0.000 0.868 45 T HN 0.053 nan 8.240 nan 0.000 0.444 46 I N 0.548 121.220 120.570 0.168 0.000 2.142 46 I HA -0.159 4.011 4.170 -0.000 0.000 0.240 46 I C 2.781 178.983 176.117 0.141 0.000 1.078 46 I CA 1.177 62.556 61.300 0.131 0.000 1.343 46 I CB -0.263 37.805 38.000 0.113 0.000 1.046 46 I HN 0.040 nan 8.210 nan 0.000 0.405 47 R N 0.246 120.832 120.500 0.144 0.000 2.103 47 R HA -0.274 4.066 4.340 -0.000 0.000 0.242 47 R C 2.349 178.745 176.300 0.159 0.000 1.142 47 R CA 1.883 58.057 56.100 0.122 0.000 0.960 47 R CB -0.837 29.524 30.300 0.103 0.000 0.858 47 R HN 0.415 nan 8.270 nan 0.000 0.439 48 Y N -0.490 119.874 120.300 0.106 0.000 2.181 48 Y HA -0.288 4.262 4.550 -0.000 0.000 0.288 48 Y C 2.174 178.130 175.900 0.094 0.000 1.146 48 Y CA 1.770 59.950 58.100 0.134 0.000 1.164 48 Y CB -0.399 38.245 38.460 0.307 0.000 0.982 48 Y HN 0.132 nan 8.280 nan 0.000 0.515 49 C N 0.085 119.500 119.300 0.191 0.000 2.446 49 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 49 C C 2.765 177.753 174.990 -0.004 0.000 1.275 49 C CA 1.069 60.126 59.018 0.065 0.000 1.727 49 C CB -1.410 26.388 27.740 0.097 0.000 2.010 49 C HN 0.593 nan 8.230 nan 0.000 0.486 50 L N 0.749 121.986 121.223 0.024 0.000 2.083 50 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 50 L C 2.094 178.948 176.870 -0.027 0.000 1.083 50 L CA 1.456 56.300 54.840 0.006 0.000 0.752 50 L CB -0.731 41.342 42.059 0.023 0.000 0.899 50 L HN 0.319 nan 8.230 nan 0.000 0.433 51 D N -0.382 119.988 120.400 -0.050 0.000 2.312 51 D HA -0.113 4.527 4.640 -0.000 0.000 0.211 51 D C 1.454 177.675 176.300 -0.132 0.000 0.964 51 D CA 0.784 54.736 54.000 -0.079 0.000 0.877 51 D CB -0.190 40.565 40.800 -0.075 0.000 0.924 51 D HN 0.290 nan 8.370 nan 0.000 0.515 52 N N -0.034 118.557 118.700 -0.182 0.000 2.314 52 N HA 0.077 4.817 4.740 -0.000 0.000 0.200 52 N C 0.943 176.403 175.510 -0.083 0.000 1.135 52 N CA 0.430 53.376 53.050 -0.173 0.000 0.835 52 N CB 1.070 39.400 38.487 -0.261 0.000 0.989 52 N HN 0.138 nan 8.380 nan 0.000 0.478 53 G N 0.828 109.596 108.800 -0.053 0.000 2.153 53 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 53 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 53 G C 0.353 175.249 174.900 -0.007 0.000 0.994 53 G CA 0.022 45.108 45.100 -0.023 0.000 0.698 53 G HN 0.371 nan 8.290 nan 0.000 0.521 54 C N 1.056 120.353 119.300 -0.006 0.000 2.580 54 C HA 0.711 5.171 4.460 -0.000 0.000 0.371 54 C C 1.428 176.432 174.990 0.024 0.000 1.308 54 C CA 0.229 59.256 59.018 0.015 0.000 2.428 54 C CB 1.075 28.827 27.740 0.021 0.000 2.529 54 C HN 1.031 nan 8.230 nan 0.000 0.657 55 S N 0.640 116.362 115.700 0.036 0.000 2.578 55 S HA 0.716 5.186 4.470 -0.000 0.000 0.283 55 S C -0.988 173.639 174.600 0.045 0.000 1.195 55 S CA -0.574 57.649 58.200 0.039 0.000 1.050 55 S CB 0.990 64.216 63.200 0.044 0.000 1.012 55 S HN 0.533 nan 8.310 nan 0.000 0.511 56 V N 3.390 123.326 119.914 0.037 0.000 2.444 56 V HA 0.433 4.553 4.120 -0.000 0.000 0.294 56 V C -0.500 175.600 176.094 0.011 0.000 1.022 56 V CA -0.642 61.675 62.300 0.027 0.000 0.850 56 V CB 1.182 33.020 31.823 0.024 0.000 0.992 56 V HN 0.900 nan 8.190 nan 0.000 0.426 57 I N 5.985 126.551 120.570 -0.006 0.000 2.339 57 I HA 0.447 4.617 4.170 -0.000 0.000 0.290 57 I C -0.516 175.451 176.117 -0.249 0.000 0.994 57 I CA -0.379 60.882 61.300 -0.066 0.000 1.191 57 I CB 1.432 39.442 38.000 0.017 0.000 1.343 57 I HN 0.341 nan 8.210 nan 0.000 0.458 58 L N 6.134 127.232 121.223 -0.208 0.000 2.309 58 L HA 0.816 5.156 4.340 -0.000 0.000 0.282 58 L C 0.011 176.691 176.870 -0.317 0.000 1.036 58 L CA -0.525 54.165 54.840 -0.250 0.000 0.806 58 L CB 1.727 43.791 42.059 0.009 0.000 1.220 58 L HN 0.671 nan 8.230 nan 0.000 0.429 59 A N 2.218 124.774 122.820 -0.441 0.000 2.422 59 A HA 0.807 5.126 4.320 -0.000 0.000 0.302 59 A C -0.787 176.696 177.584 -0.169 0.000 1.041 59 A CA -0.401 51.479 52.037 -0.262 0.000 0.708 59 A CB 2.161 20.990 19.000 -0.285 0.000 1.257 59 A HN 0.583 nan 8.150 nan 0.000 0.414 60 S N 0.319 115.988 115.700 -0.052 0.000 2.656 60 S HA 0.709 5.179 4.470 -0.000 0.000 0.273 60 S C -1.259 173.372 174.600 0.053 0.000 1.168 60 S CA -0.643 57.536 58.200 -0.035 0.000 0.817 60 S CB 1.061 64.173 63.200 -0.146 0.000 1.146 60 S HN 1.308 nan 8.310 nan 0.000 0.475 61 H N 1.115 120.178 119.070 -0.011 0.000 2.595 61 H HA 0.844 5.400 4.556 -0.000 0.000 0.346 61 H C -1.471 173.862 175.328 0.009 0.000 1.181 61 H CA -0.981 55.049 56.048 -0.030 0.000 1.242 61 H CB 1.304 31.057 29.762 -0.014 0.000 1.652 61 H HN 0.464 nan 8.280 nan 0.000 0.548 62 L N 1.377 122.555 121.223 -0.074 0.000 2.482 62 L HA 0.471 4.811 4.340 -0.000 0.000 0.269 62 L C 0.567 177.467 176.870 0.050 0.000 0.967 62 L CA 1.137 55.957 54.840 -0.033 0.000 0.851 62 L CB 1.216 43.309 42.059 0.057 0.000 1.242 62 L HN 1.247 nan 8.230 nan 0.000 0.404 63 G N 4.362 113.206 108.800 0.073 0.000 2.601 63 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.261 63 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.261 63 G C 0.028 174.853 174.900 -0.125 0.000 1.289 63 G CA 0.135 45.204 45.100 -0.053 0.000 0.920 63 G HN 0.743 nan 8.290 nan 0.000 0.571 64 R N 1.141 121.457 120.500 -0.308 0.000 2.748 64 R HA 0.298 4.638 4.340 -0.000 0.000 0.283 64 R C -2.244 173.886 176.300 -0.284 0.000 1.507 64 R CA -1.123 54.852 56.100 -0.207 0.000 1.666 64 R CB 1.323 31.567 30.300 -0.094 0.000 1.237 64 R HN 0.499 nan 8.270 nan 0.000 0.633 65 P HA 0.056 nan 4.420 nan 0.000 0.268 65 P C -0.240 177.050 177.300 -0.015 0.000 1.205 65 P CA -0.055 62.942 63.100 -0.173 0.000 0.771 65 P CB 1.247 33.007 31.700 0.100 0.000 0.858 66 K N 0.550 120.960 120.400 0.017 0.000 2.262 66 K HA 0.075 4.395 4.320 -0.000 0.000 0.200 66 K C 0.768 177.382 176.600 0.023 0.000 1.049 66 K CA 0.758 57.055 56.287 0.017 0.000 0.979 66 K CB 0.293 32.803 32.500 0.018 0.000 0.773 66 K HN 0.510 nan 8.250 nan 0.000 0.474 67 E N -0.002 120.217 120.200 0.032 0.000 2.446 67 E HA 0.279 4.629 4.350 -0.000 0.000 0.276 67 E C -0.556 175.971 176.600 -0.123 0.000 0.969 67 E CA -0.791 55.593 56.400 -0.026 0.000 0.800 67 E CB 1.513 31.191 29.700 -0.038 0.000 1.341 67 E HN -0.048 nan 8.360 nan 0.000 0.460 68 I N 1.874 122.252 120.570 -0.320 0.000 2.752 68 I HA -0.041 4.129 4.170 -0.000 0.000 0.289 68 I C 0.305 176.105 176.117 -0.528 0.000 1.197 68 I CA 0.876 61.671 61.300 -0.842 0.000 1.432 68 I CB 0.043 37.654 38.000 -0.649 0.000 1.359 68 I HN 0.384 nan 8.210 nan 0.000 0.571 69 S N 2.301 117.659 115.700 -0.570 0.000 2.543 69 S HA 0.204 4.673 4.470 -0.000 0.000 0.273 69 S C 0.436 175.080 174.600 0.073 0.000 1.152 69 S CA -0.315 57.833 58.200 -0.085 0.000 0.910 69 S CB 1.684 64.962 63.200 0.129 0.000 1.105 69 S HN 0.705 nan 8.310 nan 0.000 0.465 70 S N 2.407 118.127 115.700 0.033 0.000 2.382 70 S HA -0.208 4.261 4.470 -0.000 0.000 0.228 70 S C 1.681 176.310 174.600 0.047 0.000 1.027 70 S CA 1.295 59.530 58.200 0.059 0.000 0.991 70 S CB -0.691 62.518 63.200 0.015 0.000 0.823 70 S HN 0.831 nan 8.310 nan 0.000 0.469 71 K N 0.168 120.548 120.400 -0.034 0.000 2.113 71 K HA -0.148 4.171 4.320 -0.000 0.000 0.208 71 K C 0.536 176.955 176.600 -0.301 0.000 1.047 71 K CA 1.622 57.771 56.287 -0.229 0.000 0.928 71 K CB -0.250 31.997 32.500 -0.421 0.000 0.716 71 K HN 0.585 nan 8.250 nan 0.000 0.446 72 Y N 0.225 120.646 120.300 0.201 0.000 2.720 72 Y HA 0.255 4.805 4.550 -0.000 0.000 0.277 72 Y C 0.209 176.224 175.900 0.192 0.000 1.144 72 Y CA -0.498 57.721 58.100 0.198 0.000 1.221 72 Y CB 0.521 39.128 38.460 0.246 0.000 1.163 72 Y HN -0.075 nan 8.280 nan 0.000 0.537 73 S N 0.329 116.226 115.700 0.329 0.000 2.562 73 S HA 0.106 4.575 4.470 -0.000 0.000 0.281 73 S C 1.063 175.709 174.600 0.077 0.000 1.333 73 S CA -0.300 58.037 58.200 0.229 0.000 1.052 73 S CB 0.520 63.843 63.200 0.205 0.000 0.884 73 S HN 0.542 nan 8.310 nan 0.000 0.506 74 L N 3.826 125.059 121.223 0.017 0.000 2.599 74 L HA 0.106 4.446 4.340 -0.000 0.000 0.230 74 L C 2.334 179.202 176.870 -0.003 0.000 1.141 74 L CA 0.341 55.182 54.840 0.001 0.000 0.877 74 L CB -0.397 41.661 42.059 -0.002 0.000 1.009 74 L HN 0.835 nan 8.230 nan 0.000 0.447 75 E N 1.419 121.631 120.200 0.020 0.000 2.070 75 E HA -0.239 4.110 4.350 -0.000 0.000 0.197 75 E C -0.627 175.963 176.600 -0.017 0.000 1.004 75 E CA 1.597 58.002 56.400 0.009 0.000 0.805 75 E CB -0.480 29.237 29.700 0.028 0.000 0.744 75 E HN 0.299 nan 8.360 nan 0.000 0.451 76 P HA -0.139 nan 4.420 nan 0.000 0.218 76 P C 1.434 178.691 177.300 -0.071 0.000 1.148 76 P CA 0.949 64.030 63.100 -0.032 0.000 0.822 76 P CB 0.065 31.755 31.700 -0.017 0.000 0.784 77 V N 0.126 119.983 119.914 -0.095 0.000 2.358 77 V HA -0.226 3.893 4.120 -0.000 0.000 0.246 77 V C 2.472 178.425 176.094 -0.236 0.000 1.047 77 V CA 2.125 64.306 62.300 -0.199 0.000 1.035 77 V CB -1.662 30.021 31.823 -0.233 0.000 0.658 77 V HN 0.096 nan 8.190 nan 0.000 0.452 78 A N -0.217 122.513 122.820 -0.150 0.000 1.908 78 A HA -0.280 4.039 4.320 -0.000 0.000 0.218 78 A C 2.288 179.813 177.584 -0.098 0.000 1.181 78 A CA 2.171 54.139 52.037 -0.116 0.000 0.627 78 A CB -0.464 18.504 19.000 -0.053 0.000 0.818 78 A HN 0.545 nan 8.150 nan 0.000 0.445 79 K N -1.179 119.175 120.400 -0.076 0.000 2.057 79 K HA -0.166 4.153 4.320 -0.000 0.000 0.207 79 K C 2.376 178.932 176.600 -0.073 0.000 1.049 79 K CA 1.534 57.786 56.287 -0.059 0.000 0.931 79 K CB -0.135 32.340 32.500 -0.042 0.000 0.714 79 K HN 0.324 nan 8.250 nan 0.000 0.440 80 R N 1.441 121.882 120.500 -0.099 0.000 2.066 80 R HA -0.080 4.259 4.340 -0.000 0.000 0.232 80 R C 2.064 178.293 176.300 -0.118 0.000 1.131 80 R CA 1.087 57.126 56.100 -0.102 0.000 0.955 80 R CB -0.820 29.412 30.300 -0.115 0.000 0.851 80 R HN 0.112 nan 8.270 nan 0.000 0.432 81 L N 0.493 121.611 121.223 -0.176 0.000 2.079 81 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 81 L C 2.073 178.890 176.870 -0.088 0.000 1.081 81 L CA 2.182 56.922 54.840 -0.167 0.000 0.752 81 L CB -1.072 40.831 42.059 -0.260 0.000 0.896 81 L HN 0.282 nan 8.230 nan 0.000 0.433 82 A N -0.003 122.771 122.820 -0.076 0.000 1.873 82 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 82 A C 2.542 180.105 177.584 -0.035 0.000 1.193 82 A CA 2.155 54.165 52.037 -0.044 0.000 0.629 82 A CB -0.733 18.244 19.000 -0.038 0.000 0.826 82 A HN 0.575 nan 8.150 nan 0.000 0.447 83 R N -0.315 120.161 120.500 -0.040 0.000 2.092 83 R HA 0.000 4.340 4.340 -0.000 0.000 0.231 83 R C 1.849 178.132 176.300 -0.027 0.000 1.119 83 R CA 1.493 57.575 56.100 -0.031 0.000 0.970 83 R CB -0.431 29.850 30.300 -0.032 0.000 0.864 83 R HN 0.490 nan 8.270 nan 0.000 0.440 84 L N 0.389 121.591 121.223 -0.035 0.000 2.156 84 L HA -0.075 4.264 4.340 -0.000 0.000 0.208 84 L C 2.104 178.966 176.870 -0.013 0.000 1.095 84 L CA 0.848 55.673 54.840 -0.025 0.000 0.770 84 L CB -0.140 41.901 42.059 -0.031 0.000 0.914 84 L HN 0.275 nan 8.230 nan 0.000 0.439 85 L N -0.860 120.355 121.223 -0.014 0.000 2.558 85 L HA -0.012 4.328 4.340 -0.000 0.000 0.225 85 L C 0.382 177.252 176.870 -0.001 0.000 1.128 85 L CA -0.043 54.797 54.840 -0.001 0.000 0.868 85 L CB -0.223 41.837 42.059 0.003 0.000 1.006 85 L HN 0.236 nan 8.230 nan 0.000 0.454 86 D N 1.930 122.326 120.400 -0.007 0.000 2.692 86 D HA -0.219 4.420 4.640 -0.000 0.000 0.233 86 D C -0.186 176.112 176.300 -0.004 0.000 1.172 86 D CA 1.081 55.078 54.000 -0.006 0.000 0.636 86 D CB -0.483 40.315 40.800 -0.004 0.000 1.028 86 D HN 0.320 nan 8.370 nan 0.000 0.419 87 K N 0.301 120.698 120.400 -0.006 0.000 2.523 87 K HA 0.301 4.621 4.320 -0.000 0.000 0.257 87 K C -0.378 176.218 176.600 -0.006 0.000 0.932 87 K CA -0.986 55.299 56.287 -0.003 0.000 0.812 87 K CB 1.719 34.220 32.500 0.002 0.000 1.326 87 K HN -0.098 nan 8.250 nan 0.000 0.433 88 E N 2.018 122.216 120.200 -0.004 0.000 2.343 88 E HA 0.262 4.612 4.350 -0.000 0.000 0.269 88 E C -0.196 176.403 176.600 -0.003 0.000 1.047 88 E CA -0.305 56.091 56.400 -0.005 0.000 0.874 88 E CB 0.923 30.621 29.700 -0.002 0.000 1.033 88 E HN 0.311 nan 8.360 nan 0.000 0.409 89 I N 2.575 123.141 120.570 -0.006 0.000 2.441 89 I HA 0.206 4.375 4.170 -0.000 0.000 0.295 89 I C 0.618 176.738 176.117 0.004 0.000 0.994 89 I CA -0.815 60.484 61.300 -0.002 0.000 1.144 89 I CB 1.315 39.307 38.000 -0.013 0.000 1.314 89 I HN 0.163 nan 8.210 nan 0.000 0.445 93 K N -0.092 120.351 120.400 0.072 0.000 2.393 93 K HA 0.172 4.492 4.320 -0.000 0.000 0.193 93 K C -0.225 176.442 176.600 0.112 0.000 1.026 93 K CA 1.321 57.659 56.287 0.084 0.000 1.064 93 K CB 0.150 32.687 32.500 0.061 0.000 0.833 93 K HN 0.827 nan 8.250 nan 0.000 0.521 94 D N -2.879 117.588 120.400 0.111 0.000 2.812 94 D HA 0.116 4.756 4.640 -0.000 0.000 0.318 94 D C 0.524 176.900 176.300 0.127 0.000 1.234 94 D CA -0.790 53.291 54.000 0.136 0.000 0.989 94 D CB 0.684 41.544 40.800 0.099 0.000 1.442 94 D HN -0.272 nan 8.370 nan 0.000 0.537 95 V N -1.088 118.904 119.914 0.129 0.000 2.627 95 V HA 0.186 4.306 4.120 -0.000 0.000 0.239 95 V C 1.481 177.638 176.094 0.104 0.000 1.077 95 V CA 1.008 63.378 62.300 0.117 0.000 1.103 95 V CB -0.429 31.468 31.823 0.124 0.000 0.802 95 V HN 0.719 nan 8.190 nan 0.000 0.482 96 I N -1.555 119.066 120.570 0.086 0.000 3.817 96 I HA 0.649 4.819 4.170 -0.000 0.000 0.322 96 I C 0.705 176.851 176.117 0.049 0.000 1.512 96 I CA -0.242 61.096 61.300 0.064 0.000 1.066 96 I CB 0.073 38.099 38.000 0.044 0.000 1.336 96 I HN 0.069 nan 8.210 nan 0.000 0.539 97 G N 0.924 109.757 108.800 0.055 0.000 2.525 97 G HA2 0.162 4.121 3.960 -0.000 0.000 0.287 97 G HA3 0.162 4.121 3.960 -0.000 0.000 0.287 97 G C 0.495 175.419 174.900 0.039 0.000 1.350 97 G CA 0.049 45.175 45.100 0.044 0.000 1.039 97 G HN 0.418 nan 8.290 nan 0.000 0.513 98 E N -1.091 119.129 120.200 0.032 0.000 2.118 98 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 98 E C 1.665 178.286 176.600 0.034 0.000 0.992 98 E CA 1.715 58.133 56.400 0.029 0.000 0.804 98 E CB -0.067 29.647 29.700 0.023 0.000 0.741 98 E HN 0.531 nan 8.360 nan 0.000 0.458 99 D N -0.277 120.146 120.400 0.038 0.000 2.097 99 D HA -0.116 4.523 4.640 -0.000 0.000 0.197 99 D C 1.878 178.206 176.300 0.046 0.000 0.984 99 D CA 1.796 55.820 54.000 0.040 0.000 0.826 99 D CB -0.192 40.635 40.800 0.044 0.000 0.973 99 D HN 0.288 nan 8.370 nan 0.000 0.460 100 A N 0.675 123.528 122.820 0.055 0.000 1.883 100 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 100 A C 2.120 179.740 177.584 0.060 0.000 1.186 100 A CA 1.536 53.610 52.037 0.062 0.000 0.624 100 A CB -0.477 18.569 19.000 0.076 0.000 0.822 100 A HN 0.124 nan 8.150 nan 0.000 0.444 101 K N -0.695 119.736 120.400 0.053 0.000 2.057 101 K HA -0.096 4.223 4.320 -0.000 0.000 0.207 101 K C 2.090 178.716 176.600 0.043 0.000 1.049 101 K CA 1.783 58.099 56.287 0.048 0.000 0.931 101 K CB -0.844 31.677 32.500 0.035 0.000 0.714 101 K HN 0.519 nan 8.250 nan 0.000 0.440 102 T N 1.597 116.173 114.554 0.038 0.000 2.777 102 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 102 T C 1.917 176.638 174.700 0.036 0.000 1.040 102 T CA 1.250 63.369 62.100 0.033 0.000 1.141 102 T CB -0.007 68.878 68.868 0.028 0.000 0.868 102 T HN 0.239 nan 8.240 nan 0.000 0.444 103 K N 1.185 121.609 120.400 0.039 0.000 2.057 103 K HA 0.150 4.470 4.320 -0.000 0.000 0.207 103 K C 1.446 178.072 176.600 0.045 0.000 1.049 103 K CA 0.609 56.920 56.287 0.039 0.000 0.931 103 K CB -0.220 32.303 32.500 0.039 0.000 0.714 103 K HN 0.323 nan 8.250 nan 0.000 0.440 107 L N 3.166 124.411 121.223 0.037 0.000 2.499 107 L HA 0.152 4.492 4.340 -0.000 0.000 0.273 107 L C 0.317 177.207 176.870 0.035 0.000 1.195 107 L CA 0.806 55.668 54.840 0.036 0.000 0.882 107 L CB 0.264 42.349 42.059 0.043 0.000 1.133 107 L HN -0.076 nan 8.230 nan 0.000 0.483 108 K N 3.956 124.374 120.400 0.029 0.000 2.139 108 K HA 0.682 5.001 4.320 -0.000 0.000 0.243 108 K C -0.279 176.336 176.600 0.025 0.000 0.983 108 K CA -0.777 55.525 56.287 0.026 0.000 0.890 108 K CB 1.076 33.588 32.500 0.021 0.000 1.090 108 K HN 0.757 nan 8.250 nan 0.000 0.445 109 A N 0.635 123.469 122.820 0.023 0.000 2.584 109 A HA 0.267 4.587 4.320 -0.000 0.000 0.239 109 A C 1.221 178.814 177.584 0.016 0.000 1.043 109 A CA 1.234 53.283 52.037 0.019 0.000 0.756 109 A CB -1.114 17.895 19.000 0.015 0.000 0.963 109 A HN 0.951 nan 8.150 nan 0.000 0.511 110 G N 1.603 110.412 108.800 0.015 0.000 2.179 110 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 110 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 110 G C 0.061 174.970 174.900 0.016 0.000 0.977 110 G CA 0.658 45.766 45.100 0.013 0.000 0.641 110 G HN 0.910 nan 8.290 nan 0.000 0.533 111 E N -0.362 119.850 120.200 0.019 0.000 2.248 111 E HA 0.691 5.040 4.350 -0.000 0.000 0.272 111 E C -0.061 176.552 176.600 0.022 0.000 1.008 111 E CA -0.661 55.751 56.400 0.020 0.000 0.856 111 E CB 1.519 31.231 29.700 0.021 0.000 1.120 111 E HN 0.348 nan 8.360 nan 0.000 0.397 112 I N 2.405 122.987 120.570 0.020 0.000 2.498 112 I HA 0.273 4.442 4.170 -0.000 0.000 0.290 112 I C -1.127 175.001 176.117 0.019 0.000 1.032 112 I CA -0.982 60.331 61.300 0.021 0.000 1.073 112 I CB 1.541 39.554 38.000 0.022 0.000 1.251 112 I HN 0.225 nan 8.210 nan 0.000 0.426 113 L N 7.212 128.446 121.223 0.017 0.000 2.333 113 L HA 0.608 4.948 4.340 -0.000 0.000 0.280 113 L C -1.453 175.422 176.870 0.009 0.000 1.004 113 L CA -0.537 54.314 54.840 0.018 0.000 0.820 113 L CB 1.645 43.719 42.059 0.026 0.000 1.247 113 L HN 0.518 nan 8.230 nan 0.000 0.416 114 L N 5.733 126.967 121.223 0.018 0.000 2.287 114 L HA 0.533 4.873 4.340 -0.000 0.000 0.287 114 L C -0.811 176.073 176.870 0.023 0.000 1.022 114 L CA -0.162 54.693 54.840 0.024 0.000 0.814 114 L CB 1.085 43.169 42.059 0.041 0.000 1.217 114 L HN 0.611 nan 8.230 nan 0.000 0.420 115 L N 3.483 124.712 121.223 0.010 0.000 2.464 115 L HA 0.262 4.601 4.340 -0.000 0.000 0.264 115 L C 0.904 177.792 176.870 0.029 0.000 1.199 115 L CA -0.515 54.345 54.840 0.033 0.000 0.818 115 L CB 0.277 42.361 42.059 0.042 0.000 1.102 115 L HN 0.590 nan 8.230 nan 0.000 0.473 116 E N 1.152 121.381 120.200 0.047 0.000 2.410 116 E HA -0.033 4.317 4.350 -0.000 0.000 0.255 116 E C -0.151 176.376 176.600 -0.123 0.000 1.194 116 E CA -0.286 56.120 56.400 0.009 0.000 0.955 116 E CB 0.344 30.132 29.700 0.147 0.000 0.988 116 E HN 0.378 nan 8.360 nan 0.000 0.461 117 N N 1.616 120.063 118.700 -0.423 0.000 2.236 117 N HA -0.151 4.588 4.740 -0.000 0.000 0.274 117 N C 1.112 176.422 175.510 -0.332 0.000 1.339 117 N CA 0.335 53.051 53.050 -0.556 0.000 0.845 117 N CB 0.233 37.948 38.487 -1.287 0.000 1.091 117 N HN 0.410 nan 8.380 nan 0.000 0.489 118 L N 3.851 125.017 121.223 -0.095 0.000 2.081 118 L HA -0.172 4.167 4.340 -0.000 0.000 0.212 118 L C 2.061 178.936 176.870 0.008 0.000 1.080 118 L CA 1.315 56.163 54.840 0.013 0.000 0.754 118 L CB -0.120 41.989 42.059 0.083 0.000 0.893 118 L HN 0.539 nan 8.230 nan 0.000 0.433 119 R N -1.228 119.257 120.500 -0.026 0.000 2.313 119 R HA -0.030 4.309 4.340 -0.000 0.000 0.199 119 R C 1.753 178.143 176.300 0.149 0.000 0.958 119 R CA 0.141 56.246 56.100 0.008 0.000 1.047 119 R CB -0.026 30.261 30.300 -0.022 0.000 0.955 119 R HN 0.189 nan 8.270 nan 0.000 0.481 120 F N 1.574 121.541 119.950 0.028 0.000 2.333 120 F HA -0.057 4.469 4.527 -0.001 0.000 0.300 120 F C 1.058 176.865 175.800 0.012 0.000 1.083 120 F CA 0.497 58.513 58.000 0.027 0.000 1.395 120 F CB -0.269 38.759 39.000 0.046 0.000 1.056 120 F HN -0.137 nan 8.300 nan 0.000 0.529 121 E N 1.255 121.567 120.200 0.186 0.000 2.194 121 E HA 0.057 4.407 4.350 -0.000 0.000 0.284 121 E C 1.209 177.834 176.600 0.042 0.000 1.035 121 E CA -0.178 56.278 56.400 0.094 0.000 0.836 121 E CB 1.074 30.815 29.700 0.068 0.000 1.070 121 E HN 0.088 nan 8.360 nan 0.000 0.401 122 K N 1.782 122.197 120.400 0.025 0.000 2.209 122 K HA -0.087 4.232 4.320 -0.000 0.000 0.204 122 K C 1.682 178.264 176.600 -0.031 0.000 1.048 122 K CA 0.963 57.248 56.287 -0.004 0.000 0.940 122 K CB -0.187 32.311 32.500 -0.003 0.000 0.729 122 K HN 0.572 nan 8.250 nan 0.000 0.451 123 G N 1.561 110.348 108.800 -0.022 0.000 2.509 123 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.218 123 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.218 123 G C 1.478 176.339 174.900 -0.064 0.000 1.124 123 G CA 0.756 45.836 45.100 -0.034 0.000 0.776 123 G HN 0.359 nan 8.290 nan 0.000 0.547 124 E N 1.582 121.735 120.200 -0.078 0.000 2.049 124 E HA -0.199 4.151 4.350 -0.000 0.000 0.198 124 E C 2.507 178.930 176.600 -0.295 0.000 1.007 124 E CA 2.208 58.535 56.400 -0.123 0.000 0.809 124 E CB -0.749 28.890 29.700 -0.102 0.000 0.749 124 E HN 0.368 nan 8.360 nan 0.000 0.450 125 T N -2.129 112.169 114.554 -0.427 0.000 3.160 125 T HA 0.081 4.431 4.350 -0.000 0.000 0.257 125 T C 0.980 175.514 174.700 -0.276 0.000 1.147 125 T CA 0.237 61.897 62.100 -0.734 0.000 1.064 125 T CB -0.020 68.505 68.868 -0.572 0.000 0.949 125 T HN 0.051 nan 8.240 nan 0.000 0.526 126 K N 1.052 121.367 120.400 -0.142 0.000 2.372 126 K HA 0.190 4.510 4.320 -0.000 0.000 0.200 126 K C 0.443 177.036 176.600 -0.011 0.000 1.022 126 K CA -0.243 56.015 56.287 -0.049 0.000 1.125 126 K CB -0.050 32.426 32.500 -0.040 0.000 0.855 126 K HN 0.244 nan 8.250 nan 0.000 0.524 127 N N 3.018 121.718 118.700 0.000 0.000 2.727 127 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 127 N C -0.789 174.731 175.510 0.016 0.000 1.048 127 N CA 0.564 53.630 53.050 0.027 0.000 0.714 127 N CB -1.060 37.452 38.487 0.042 0.000 0.959 127 N HN 0.379 nan 8.380 nan 0.000 0.544 128 D N 0.175 120.575 120.400 0.001 0.000 2.425 128 D HA -0.021 4.618 4.640 -0.000 0.000 0.247 128 D C 1.021 177.334 176.300 0.021 0.000 1.147 128 D CA 0.182 54.185 54.000 0.005 0.000 0.879 128 D CB 0.688 41.484 40.800 -0.007 0.000 1.179 128 D HN 0.536 nan 8.370 nan 0.000 0.456 129 E N 3.407 123.632 120.200 0.042 0.000 2.112 129 E HA -0.204 4.145 4.350 -0.000 0.000 0.190 129 E C 1.505 178.146 176.600 0.069 0.000 0.979 129 E CA 0.636 57.094 56.400 0.097 0.000 0.814 129 E CB 0.085 29.850 29.700 0.108 0.000 0.762 129 E HN 0.590 nan 8.360 nan 0.000 0.460 130 N N 0.133 118.847 118.700 0.023 0.000 2.188 130 N HA -0.190 4.550 4.740 -0.000 0.000 0.184 130 N C 1.984 177.456 175.510 -0.063 0.000 1.018 130 N CA 1.076 54.116 53.050 -0.017 0.000 0.858 130 N CB -0.165 38.318 38.487 -0.008 0.000 0.989 130 N HN 0.199 nan 8.380 nan 0.000 0.426 131 L N 0.614 121.811 121.223 -0.043 0.000 2.017 131 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 131 L C 2.185 178.991 176.870 -0.108 0.000 1.073 131 L CA 2.062 56.872 54.840 -0.051 0.000 0.745 131 L CB -1.260 40.786 42.059 -0.021 0.000 0.894 131 L HN 0.257 nan 8.230 nan 0.000 0.432 132 A N -0.423 122.327 122.820 -0.117 0.000 1.908 132 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 132 A C 2.469 179.728 177.584 -0.541 0.000 1.181 132 A CA 2.081 53.997 52.037 -0.203 0.000 0.627 132 A CB -0.699 18.289 19.000 -0.020 0.000 0.818 132 A HN 0.555 nan 8.150 nan 0.000 0.445 133 K N -0.529 119.464 120.400 -0.678 0.000 2.032 133 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 133 K C 1.915 178.190 176.600 -0.540 0.000 1.048 133 K CA 1.680 57.365 56.287 -1.004 0.000 0.927 133 K CB -0.137 32.065 32.500 -0.497 0.000 0.712 133 K HN 0.405 nan 8.250 nan 0.000 0.441 134 E N 0.853 120.879 120.200 -0.290 0.000 2.077 134 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 134 E C 2.174 178.696 176.600 -0.131 0.000 0.989 134 E CA 1.065 57.368 56.400 -0.161 0.000 0.800 134 E CB -0.251 29.401 29.700 -0.080 0.000 0.746 134 E HN 0.376 nan 8.360 nan 0.000 0.452 135 L N 0.579 121.714 121.223 -0.147 0.000 2.012 135 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 135 L C 2.579 179.360 176.870 -0.148 0.000 1.073 135 L CA 1.364 56.145 54.840 -0.099 0.000 0.748 135 L CB -0.588 41.368 42.059 -0.172 0.000 0.891 135 L HN 0.062 nan 8.230 nan 0.000 0.431 136 A N -0.060 122.607 122.820 -0.255 0.000 1.972 136 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 136 A C 1.746 179.277 177.584 -0.090 0.000 1.169 136 A CA 1.162 53.123 52.037 -0.126 0.000 0.635 136 A CB -0.700 18.052 19.000 -0.413 0.000 0.810 136 A HN 0.527 nan 8.150 nan 0.000 0.446 140 Q N 0.066 120.057 119.800 0.319 0.000 2.396 140 Q HA 0.508 4.848 4.340 -0.000 0.000 0.220 140 Q C -0.064 176.250 176.000 0.523 0.000 0.900 140 Q CA 0.868 56.893 55.803 0.370 0.000 0.925 140 Q CB 1.408 30.308 28.738 0.271 0.000 1.065 140 Q HN 0.683 nan 8.270 nan 0.000 0.535 141 V N 0.303 120.415 119.914 0.330 0.000 2.841 141 V HA 0.301 4.421 4.120 -0.000 0.000 0.310 141 V C -1.630 174.374 176.094 -0.151 0.000 1.090 141 V CA -1.074 61.299 62.300 0.121 0.000 0.930 141 V CB 1.802 33.687 31.823 0.104 0.000 1.014 141 V HN 0.085 nan 8.190 nan 0.000 0.425 142 Y N 5.168 125.102 120.300 -0.611 0.000 2.341 142 Y HA 0.736 5.286 4.550 -0.000 0.000 0.338 142 Y C -0.880 174.886 175.900 -0.224 0.000 0.965 142 Y CA -1.081 56.683 58.100 -0.560 0.000 1.108 142 Y CB 1.243 39.063 38.460 -1.065 0.000 1.180 142 Y HN 0.448 nan 8.280 nan 0.000 0.458 143 I N 6.294 126.400 120.570 -0.773 0.000 2.418 143 I HA 0.208 4.377 4.170 -0.000 0.000 0.287 143 I C -0.699 174.911 176.117 -0.846 0.000 1.008 143 I CA -0.824 60.097 61.300 -0.632 0.000 1.104 143 I CB 1.447 39.261 38.000 -0.311 0.000 1.264 143 I HN 0.656 nan 8.210 nan 0.000 0.438 144 N N 4.375 122.691 118.700 -0.641 0.000 2.414 144 N HA 0.157 4.897 4.740 -0.000 0.000 0.256 144 N C -0.278 175.144 175.510 -0.145 0.000 1.029 144 N CA 0.154 53.031 53.050 -0.289 0.000 0.948 144 N CB 0.971 39.455 38.487 -0.005 0.000 1.102 144 N HN 0.436 nan 8.380 nan 0.000 0.496 145 D N 1.840 122.177 120.400 -0.106 0.000 2.623 145 D HA 0.326 4.966 4.640 -0.000 0.000 0.252 145 D C -0.903 175.407 176.300 0.016 0.000 1.294 145 D CA -0.124 53.848 54.000 -0.046 0.000 0.824 145 D CB 0.181 40.940 40.800 -0.070 0.000 1.070 145 D HN 0.503 nan 8.370 nan 0.000 0.487 146 A N 0.545 123.398 122.820 0.054 0.000 2.938 146 A HA 0.232 4.552 4.320 -0.000 0.000 0.344 146 A C 0.633 178.322 177.584 0.175 0.000 1.142 146 A CA -0.592 51.504 52.037 0.098 0.000 0.841 146 A CB -0.635 18.407 19.000 0.070 0.000 1.083 146 A HN 0.218 nan 8.150 nan 0.000 0.479 147 F N 1.970 121.960 119.950 0.068 0.000 2.154 147 F HA -0.134 4.392 4.527 -0.001 0.000 0.301 147 F C 1.953 177.808 175.800 0.091 0.000 1.087 147 F CA 2.477 60.524 58.000 0.079 0.000 1.274 147 F CB -0.189 38.867 39.000 0.093 0.000 1.009 147 F HN 0.442 nan 8.300 nan 0.000 0.485 148 G N -0.690 108.156 108.800 0.078 0.000 2.559 148 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.216 148 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.216 148 G C 1.215 176.152 174.900 0.061 0.000 1.126 148 G CA 1.080 46.174 45.100 -0.011 0.000 0.778 148 G HN 0.509 nan 8.290 nan 0.000 0.543 149 V N -3.752 116.203 119.914 0.069 0.000 3.528 149 V HA 0.203 4.323 4.120 -0.000 0.000 0.294 149 V C 1.922 177.987 176.094 -0.049 0.000 1.404 149 V CA -0.078 62.233 62.300 0.019 0.000 1.065 149 V CB -0.497 31.302 31.823 -0.039 0.000 0.904 149 V HN 0.166 nan 8.190 nan 0.000 0.435 150 C N 2.136 121.412 119.300 -0.039 0.000 2.472 150 C HA 0.003 4.463 4.460 -0.000 0.000 0.278 150 C C 2.456 177.410 174.990 -0.060 0.000 1.447 150 C CA 1.412 60.392 59.018 -0.064 0.000 1.773 150 C CB -1.958 25.751 27.740 -0.051 0.000 1.793 150 C HN 0.948 nan 8.230 nan 0.000 0.544 151 H N -0.519 118.387 119.070 -0.273 0.000 2.559 151 H HA 0.152 4.708 4.556 -0.001 0.000 0.273 151 H C 0.858 176.059 175.328 -0.211 0.000 1.000 151 H CA 0.275 56.194 56.048 -0.214 0.000 1.195 151 H CB -0.047 29.594 29.762 -0.201 0.000 1.368 151 H HN 0.382 nan 8.280 nan 0.000 0.592 152 R N 0.696 120.914 120.500 -0.469 0.000 2.670 152 R HA 0.546 4.886 4.340 -0.000 0.000 0.289 152 R C -0.956 175.094 176.300 -0.417 0.000 0.965 152 R CA -0.687 55.045 56.100 -0.614 0.000 0.899 152 R CB 1.916 31.492 30.300 -1.207 0.000 1.173 152 R HN 0.245 nan 8.270 nan 0.000 0.456 153 A N 3.620 126.320 122.820 -0.200 0.000 2.915 153 A HA 0.173 4.493 4.320 -0.000 0.000 0.292 153 A C -0.626 177.033 177.584 0.126 0.000 1.632 153 A CA 0.026 52.040 52.037 -0.038 0.000 1.337 153 A CB -0.572 18.424 19.000 -0.006 0.000 1.111 153 A HN 0.720 nan 8.150 nan 0.000 0.569 154 H N 0.730 119.763 119.070 -0.061 0.000 2.529 154 H HA 0.228 4.784 4.556 -0.001 0.000 0.348 154 H C 0.939 176.251 175.328 -0.026 0.000 1.152 154 H CA -0.853 55.162 56.048 -0.055 0.000 1.202 154 H CB 1.950 31.662 29.762 -0.084 0.000 1.562 154 H HN 0.561 nan 8.280 nan 0.000 0.515 155 S N 1.141 116.892 115.700 0.084 0.000 2.365 155 S HA -0.241 4.228 4.470 -0.000 0.000 0.225 155 S C 2.224 176.838 174.600 0.023 0.000 1.039 155 S CA 1.923 60.144 58.200 0.035 0.000 1.033 155 S CB -0.304 62.900 63.200 0.007 0.000 0.887 155 S HN 0.798 nan 8.310 nan 0.000 0.447 156 S N 0.941 116.687 115.700 0.077 0.000 2.507 156 S HA -0.021 4.449 4.470 -0.000 0.000 0.235 156 S C 1.459 176.171 174.600 0.186 0.000 0.988 156 S CA 0.887 59.169 58.200 0.137 0.000 0.944 156 S CB -0.336 63.017 63.200 0.256 0.000 0.762 156 S HN 0.534 nan 8.310 nan 0.000 0.526 157 V N -4.325 115.670 119.914 0.134 0.000 3.502 157 V HA 0.503 4.623 4.120 -0.000 0.000 0.288 157 V C 1.417 177.545 176.094 0.058 0.000 1.461 157 V CA 0.164 62.558 62.300 0.157 0.000 1.029 157 V CB 0.347 32.253 31.823 0.139 0.000 0.843 157 V HN 0.239 nan 8.190 nan 0.000 0.438 158 E N 1.129 121.335 120.200 0.010 0.000 3.635 158 E HA 0.387 4.737 4.350 -0.000 0.000 0.183 158 E C 2.002 178.592 176.600 -0.015 0.000 1.263 158 E CA 1.130 57.529 56.400 -0.002 0.000 1.427 158 E CB 0.738 30.444 29.700 0.009 0.000 1.724 158 E HN 0.345 nan 8.360 nan 0.000 0.520 159 A N 2.436 125.263 122.820 0.012 0.000 1.948 159 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 159 A C 2.301 179.953 177.584 0.112 0.000 1.177 159 A CA 1.609 53.678 52.037 0.053 0.000 0.636 159 A CB -0.887 18.161 19.000 0.079 0.000 0.815 159 A HN 0.426 nan 8.150 nan 0.000 0.449 160 I N 0.488 121.063 120.570 0.007 0.000 2.335 160 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 160 I C 2.589 178.733 176.117 0.046 0.000 1.129 160 I CA 2.086 63.370 61.300 -0.027 0.000 1.402 160 I CB -0.165 37.621 38.000 -0.356 0.000 1.069 160 I HN 0.575 nan 8.210 nan 0.000 0.424 161 T N -1.931 112.543 114.554 -0.134 0.000 3.007 161 T HA -0.092 4.258 4.350 -0.000 0.000 0.270 161 T C 1.641 176.392 174.700 0.084 0.000 1.107 161 T CA 0.477 62.544 62.100 -0.055 0.000 1.118 161 T CB -0.250 68.576 68.868 -0.070 0.000 0.889 161 T HN 0.183 nan 8.240 nan 0.000 0.506 162 K N 0.660 121.059 120.400 -0.002 0.000 2.504 162 K HA 0.151 4.471 4.320 -0.000 0.000 0.195 162 K C 0.741 177.121 176.600 -0.367 0.000 1.036 162 K CA 0.353 56.521 56.287 -0.197 0.000 0.984 162 K CB -0.519 31.785 32.500 -0.327 0.000 0.788 162 K HN 0.541 nan 8.250 nan 0.000 0.488 163 F N -0.595 119.293 119.950 -0.103 0.000 2.693 163 F HA 0.234 4.761 4.527 -0.000 0.000 0.303 163 F C 0.060 175.476 175.800 -0.639 0.000 1.097 163 F CA -0.350 57.440 58.000 -0.351 0.000 1.330 163 F CB 0.192 38.914 39.000 -0.464 0.000 1.067 163 F HN -0.225 nan 8.300 nan 0.000 0.565 164 F N -0.151 119.827 119.950 0.047 0.000 2.565 164 F HA 0.336 4.862 4.527 -0.001 0.000 0.313 164 F C -0.000 175.824 175.800 0.041 0.000 1.091 164 F CA -1.874 56.157 58.000 0.052 0.000 0.915 164 F CB 0.996 40.072 39.000 0.125 0.000 1.208 164 F HN -0.187 nan 8.300 nan 0.000 0.453 165 D N -0.015 120.512 120.400 0.213 0.000 2.451 165 D HA 0.146 4.785 4.640 -0.000 0.000 0.259 165 D C 0.483 176.919 176.300 0.227 0.000 1.201 165 D CA -0.399 53.701 54.000 0.167 0.000 1.028 165 D CB 0.493 41.367 40.800 0.123 0.000 1.095 165 D HN 0.654 nan 8.370 nan 0.000 0.539 166 E N -1.107 119.186 120.200 0.155 0.000 2.418 166 E HA -0.087 4.263 4.350 -0.000 0.000 0.197 166 E C 1.003 177.671 176.600 0.114 0.000 1.026 166 E CA 0.542 57.014 56.400 0.120 0.000 0.862 166 E CB 0.011 29.756 29.700 0.074 0.000 0.799 166 E HN 0.385 nan 8.360 nan 0.000 0.518 167 K N -0.211 120.285 120.400 0.161 0.000 2.374 167 K HA 0.047 4.366 4.320 -0.000 0.000 0.196 167 K C 0.265 176.802 176.600 -0.104 0.000 1.023 167 K CA 0.286 56.602 56.287 0.047 0.000 1.103 167 K CB 0.359 32.883 32.500 0.041 0.000 0.848 167 K HN 0.116 nan 8.250 nan 0.000 0.528 168 H N -0.066 119.084 119.070 0.133 0.000 3.052 168 H HA 0.120 4.675 4.556 -0.001 0.000 0.257 168 H C -1.003 174.389 175.328 0.107 0.000 1.193 168 H CA -0.372 55.779 56.048 0.170 0.000 1.072 168 H CB 0.556 30.508 29.762 0.317 0.000 1.685 168 H HN -0.018 nan 8.280 nan 0.000 0.630 169 K N -0.317 120.184 120.400 0.169 0.000 2.464 169 K HA 0.786 5.105 4.320 -0.000 0.000 0.253 169 K C -0.584 176.047 176.600 0.051 0.000 0.933 169 K CA -1.244 55.109 56.287 0.109 0.000 0.801 169 K CB 2.995 35.620 32.500 0.209 0.000 1.271 169 K HN 0.103 nan 8.250 nan 0.000 0.430 170 G N 0.205 108.997 108.800 -0.013 0.000 2.623 170 G HA2 0.603 4.563 3.960 -0.000 0.000 0.290 170 G HA3 0.603 4.563 3.960 -0.000 0.000 0.290 170 G C -1.763 173.062 174.900 -0.125 0.000 1.437 170 G CA -0.828 44.232 45.100 -0.066 0.000 0.798 170 G HN 0.730 nan 8.290 nan 0.000 0.488 171 A N -0.442 122.301 122.820 -0.129 0.000 2.301 171 A HA 0.846 5.166 4.320 -0.000 0.000 0.312 171 A C 0.870 178.301 177.584 -0.255 0.000 1.182 171 A CA 0.325 52.278 52.037 -0.140 0.000 0.826 171 A CB 0.777 19.729 19.000 -0.081 0.000 1.134 171 A HN 1.704 nan 8.150 nan 0.000 0.501 172 G N -0.182 108.473 108.800 -0.243 0.000 2.621 172 G HA2 0.428 4.388 3.960 -0.000 0.000 0.271 172 G HA3 0.428 4.388 3.960 -0.000 0.000 0.271 172 G C 0.179 174.896 174.900 -0.304 0.000 1.236 172 G CA -0.387 44.509 45.100 -0.340 0.000 0.958 172 G HN 0.519 nan 8.290 nan 0.000 0.512 173 F N -0.761 119.136 119.950 -0.088 0.000 2.259 173 F HA 0.048 4.575 4.527 -0.000 0.000 0.298 173 F C 2.368 178.151 175.800 -0.029 0.000 1.088 173 F CA 0.415 58.367 58.000 -0.080 0.000 1.358 173 F CB -0.298 38.648 39.000 -0.090 0.000 1.040 173 F HN 0.267 nan 8.300 nan 0.000 0.505 174 L N -0.429 120.896 121.223 0.170 0.000 2.095 174 L HA -0.059 4.280 4.340 -0.000 0.000 0.204 174 L C 2.147 179.082 176.870 0.107 0.000 1.080 174 L CA 1.236 56.171 54.840 0.158 0.000 0.759 174 L CB -0.872 41.283 42.059 0.159 0.000 0.914 174 L HN 0.120 nan 8.230 nan 0.000 0.439 175 L N -0.297 120.969 121.223 0.071 0.000 2.012 175 L HA -0.231 4.108 4.340 -0.000 0.000 0.210 175 L C 2.499 179.357 176.870 -0.021 0.000 1.073 175 L CA 2.119 57.002 54.840 0.071 0.000 0.748 175 L CB -0.985 41.121 42.059 0.079 0.000 0.891 175 L HN 0.466 nan 8.230 nan 0.000 0.431 176 Q N -0.294 119.486 119.800 -0.032 0.000 2.167 176 Q HA -0.211 4.128 4.340 -0.000 0.000 0.202 176 Q C 2.305 178.237 176.000 -0.113 0.000 0.970 176 Q CA 1.728 57.490 55.803 -0.068 0.000 0.855 176 Q CB -0.184 28.519 28.738 -0.057 0.000 0.911 176 Q HN 0.538 nan 8.270 nan 0.000 0.438 177 K N -0.305 120.049 120.400 -0.076 0.000 2.057 177 K HA -0.139 4.180 4.320 -0.000 0.000 0.206 177 K C 1.790 178.223 176.600 -0.277 0.000 1.050 177 K CA 1.275 57.475 56.287 -0.145 0.000 0.935 177 K CB 0.106 32.596 32.500 -0.016 0.000 0.715 177 K HN 0.204 nan 8.250 nan 0.000 0.439 178 E N 0.637 120.695 120.200 -0.237 0.000 2.051 178 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 178 E C 2.086 178.313 176.600 -0.623 0.000 0.991 178 E CA 1.178 57.313 56.400 -0.441 0.000 0.799 178 E CB -0.159 29.085 29.700 -0.760 0.000 0.748 178 E HN 0.387 nan 8.360 nan 0.000 0.449 179 I N 1.709 121.969 120.570 -0.518 0.000 2.179 179 I HA -0.272 3.897 4.170 -0.000 0.000 0.242 179 I C 2.008 177.985 176.117 -0.234 0.000 1.088 179 I CA 1.157 62.273 61.300 -0.307 0.000 1.357 179 I CB -0.250 37.668 38.000 -0.137 0.000 1.051 179 I HN -0.034 nan 8.210 nan 0.000 0.409 180 D N 0.651 120.891 120.400 -0.267 0.000 2.097 180 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 180 D C 2.131 178.205 176.300 -0.377 0.000 0.989 180 D CA 1.565 55.370 54.000 -0.325 0.000 0.827 180 D CB -0.406 40.141 40.800 -0.422 0.000 0.966 180 D HN 0.209 nan 8.370 nan 0.000 0.456 181 F N 1.528 121.265 119.950 -0.354 0.000 2.102 181 F HA -0.119 4.407 4.527 -0.000 0.000 0.298 181 F C 2.540 178.234 175.800 -0.177 0.000 1.105 181 F CA 1.151 58.967 58.000 -0.306 0.000 1.239 181 F CB -0.645 38.053 39.000 -0.502 0.000 0.991 181 F HN -0.085 nan 8.300 nan 0.000 0.474 182 A N -0.833 121.987 122.820 0.000 0.000 1.873 182 A HA -0.158 4.161 4.320 -0.000 0.000 0.215 182 A C 2.387 179.931 177.584 -0.066 0.000 1.186 182 A CA 2.030 54.061 52.037 -0.010 0.000 0.616 182 A CB -1.142 17.860 19.000 0.003 0.000 0.823 182 A HN 0.313 nan 8.150 nan 0.000 0.442 183 S N 0.068 115.713 115.700 -0.092 0.000 2.356 183 S HA -0.214 4.256 4.470 -0.000 0.000 0.223 183 S C 1.935 176.464 174.600 -0.119 0.000 1.032 183 S CA 1.593 59.736 58.200 -0.095 0.000 1.005 183 S CB -0.577 62.565 63.200 -0.097 0.000 0.867 183 S HN 0.816 nan 8.310 nan 0.000 0.449 184 N N 1.342 119.954 118.700 -0.146 0.000 2.137 184 N HA -0.096 4.643 4.740 -0.000 0.000 0.190 184 N C 1.503 176.904 175.510 -0.182 0.000 1.017 184 N CA 1.132 54.088 53.050 -0.158 0.000 0.859 184 N CB -0.364 38.007 38.487 -0.194 0.000 1.002 184 N HN 0.370 nan 8.380 nan 0.000 0.428 185 L N 0.276 121.388 121.223 -0.185 0.000 2.093 185 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 185 L C 1.981 178.758 176.870 -0.156 0.000 1.085 185 L CA 1.013 55.690 54.840 -0.273 0.000 0.755 185 L CB -0.533 41.416 42.059 -0.183 0.000 0.904 185 L HN 0.410 nan 8.230 nan 0.000 0.435 186 I N -4.533 115.968 120.570 -0.114 0.000 3.883 186 I HA 0.053 4.222 4.170 -0.000 0.000 0.326 186 I C 1.852 177.892 176.117 -0.128 0.000 1.283 186 I CA 0.337 61.589 61.300 -0.080 0.000 1.161 186 I CB 0.113 38.068 38.000 -0.076 0.000 1.012 186 I HN 0.021 nan 8.210 nan 0.000 0.421 187 K N 0.355 120.654 120.400 -0.169 0.000 2.312 187 K HA 0.283 4.602 4.320 -0.000 0.000 0.230 187 K C 0.268 176.613 176.600 -0.424 0.000 1.048 187 K CA 0.558 56.681 56.287 -0.273 0.000 0.938 187 K CB 0.322 32.717 32.500 -0.176 0.000 1.139 187 K HN 0.161 nan 8.250 nan 0.000 0.461 188 H N 0.904 119.927 119.070 -0.079 0.000 2.380 188 H HA 0.280 4.836 4.556 -0.001 0.000 0.231 188 H C -2.487 172.776 175.328 -0.108 0.000 1.415 188 H CA -2.089 53.916 56.048 -0.071 0.000 1.433 188 H CB 0.441 30.170 29.762 -0.056 0.000 1.544 188 H HN 0.251 nan 8.280 nan 0.000 0.503 189 P HA 0.152 nan 4.420 nan 0.000 0.271 189 P C 0.138 177.395 177.300 -0.071 0.000 1.216 189 P CA -0.382 62.604 63.100 -0.189 0.000 0.771 189 P CB 1.164 32.538 31.700 -0.543 0.000 0.864 190 A N 5.014 127.797 122.820 -0.061 0.000 2.546 190 A HA 0.090 4.410 4.320 -0.000 0.000 0.243 190 A C 0.536 178.142 177.584 0.036 0.000 1.063 190 A CA 0.156 52.190 52.037 -0.005 0.000 0.757 190 A CB -0.319 18.682 19.000 0.002 0.000 0.991 190 A HN 0.498 nan 8.150 nan 0.000 0.503 191 R N 2.401 122.943 120.500 0.069 0.000 2.664 191 R HA 0.466 4.805 4.340 -0.000 0.000 0.286 191 R C -2.800 173.557 176.300 0.094 0.000 0.967 191 R CA -1.845 54.325 56.100 0.115 0.000 0.933 191 R CB 0.954 31.321 30.300 0.113 0.000 1.146 191 R HN 0.449 nan 8.270 nan 0.000 0.468 192 P HA 0.003 nan 4.420 nan 0.000 0.271 192 P C -1.097 176.338 177.300 0.225 0.000 1.220 192 P CA -0.035 63.149 63.100 0.141 0.000 0.768 192 P CB 0.269 32.029 31.700 0.101 0.000 0.848 193 F N 5.492 125.477 119.950 0.058 0.000 2.385 193 F HA 0.394 4.921 4.527 -0.001 0.000 0.360 193 F C -1.051 174.795 175.800 0.075 0.000 1.122 193 F CA -1.541 56.502 58.000 0.073 0.000 1.090 193 F CB 0.608 39.649 39.000 0.067 0.000 1.150 193 F HN -0.023 nan 8.300 nan 0.000 0.472 194 V N 6.330 126.371 119.914 0.212 0.000 2.417 194 V HA 0.736 4.855 4.120 -0.000 0.000 0.291 194 V C 0.072 176.144 176.094 -0.037 0.000 1.024 194 V CA -0.802 61.488 62.300 -0.016 0.000 0.861 194 V CB 1.037 32.876 31.823 0.027 0.000 0.985 194 V HN 0.990 nan 8.190 nan 0.000 0.436 195 A N 4.703 127.426 122.820 -0.162 0.000 2.301 195 A HA 0.825 5.144 4.320 -0.000 0.000 0.312 195 A C -0.643 176.936 177.584 -0.007 0.000 1.182 195 A CA -0.482 51.585 52.037 0.049 0.000 0.826 195 A CB 1.212 20.256 19.000 0.073 0.000 1.134 195 A HN 0.718 nan 8.150 nan 0.000 0.501 196 V N 3.620 123.537 119.914 0.004 0.000 2.376 196 V HA 0.517 4.636 4.120 -0.000 0.000 0.287 196 V C -0.161 175.928 176.094 -0.007 0.000 1.015 196 V CA -0.509 61.726 62.300 -0.109 0.000 0.834 196 V CB 1.067 32.710 31.823 -0.299 0.000 1.001 196 V HN 1.000 nan 8.190 nan 0.000 0.428 197 V N 2.245 122.132 119.914 -0.044 0.000 2.680 197 V HA 1.126 5.246 4.120 -0.000 0.000 0.309 197 V C 0.154 176.243 176.094 -0.010 0.000 1.052 197 V CA 0.269 62.554 62.300 -0.025 0.000 0.908 197 V CB 1.422 33.254 31.823 0.015 0.000 1.001 197 V HN 0.915 nan 8.190 nan 0.000 0.431 198 G N 1.541 110.352 108.800 0.018 0.000 3.003 198 G HA2 0.899 4.859 3.960 -0.000 0.000 0.243 198 G HA3 0.899 4.859 3.960 -0.000 0.000 0.243 198 G C 0.205 175.124 174.900 0.032 0.000 1.176 198 G CA -0.104 45.020 45.100 0.040 0.000 0.812 198 G HN 2.293 nan 8.290 nan 0.000 0.584 199 G N -1.426 107.404 108.800 0.049 0.000 2.796 199 G HA2 0.225 4.185 3.960 -0.000 0.000 0.571 199 G HA3 0.225 4.185 3.960 -0.000 0.000 0.571 199 G C 0.990 175.939 174.900 0.082 0.000 1.370 199 G CA 0.679 45.815 45.100 0.060 0.000 0.856 199 G HN 1.972 nan 8.290 nan 0.000 0.538 200 S N -1.101 114.651 115.700 0.086 0.000 2.486 200 S HA 0.278 4.748 4.470 -0.000 0.000 0.220 200 S C 0.787 175.445 174.600 0.096 0.000 1.011 200 S CA 1.236 59.495 58.200 0.097 0.000 0.921 200 S CB 0.341 63.593 63.200 0.087 0.000 0.785 200 S HN 0.687 nan 8.310 nan 0.000 0.517 201 K N 0.948 121.398 120.400 0.084 0.000 2.376 201 K HA 0.499 4.818 4.320 -0.000 0.000 0.257 201 K C 0.286 176.941 176.600 0.092 0.000 0.939 201 K CA -0.431 55.904 56.287 0.081 0.000 0.809 201 K CB 2.268 34.806 32.500 0.062 0.000 1.121 201 K HN -0.110 nan 8.250 nan 0.000 0.425 202 V N 1.423 121.396 119.914 0.098 0.000 2.295 202 V HA -0.307 3.812 4.120 -0.000 0.000 0.246 202 V C 2.282 178.430 176.094 0.091 0.000 1.049 202 V CA 2.463 64.833 62.300 0.118 0.000 1.024 202 V CB -0.655 31.206 31.823 0.065 0.000 0.648 202 V HN 0.978 nan 8.190 nan 0.000 0.447 203 S N 1.453 117.189 115.700 0.059 0.000 2.389 203 S HA -0.258 4.212 4.470 -0.000 0.000 0.231 203 S C 2.117 176.755 174.600 0.064 0.000 1.052 203 S CA 1.832 60.062 58.200 0.051 0.000 1.053 203 S CB -1.428 61.795 63.200 0.038 0.000 0.886 203 S HN 0.609 nan 8.310 nan 0.000 0.456 204 G N 1.808 110.649 108.800 0.070 0.000 2.442 204 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.219 204 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.219 204 G C 1.474 176.429 174.900 0.092 0.000 1.141 204 G CA 0.804 45.948 45.100 0.073 0.000 0.763 204 G HN 0.509 nan 8.290 nan 0.000 0.554 205 K N -0.341 120.125 120.400 0.110 0.000 2.358 205 K HA 0.274 4.594 4.320 -0.000 0.000 0.197 205 K C 1.942 178.626 176.600 0.139 0.000 1.025 205 K CA -0.424 55.948 56.287 0.143 0.000 1.104 205 K CB 0.242 32.835 32.500 0.156 0.000 0.855 205 K HN 0.267 nan 8.250 nan 0.000 0.531 206 L N 2.163 123.454 121.223 0.113 0.000 1.990 206 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 206 L C 2.091 179.012 176.870 0.085 0.000 1.072 206 L CA 2.011 56.912 54.840 0.102 0.000 0.755 206 L CB -0.308 41.794 42.059 0.071 0.000 0.889 206 L HN 0.177 nan 8.230 nan 0.000 0.432 207 Q N -1.082 118.760 119.800 0.070 0.000 2.172 207 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 207 Q C 2.216 178.242 176.000 0.043 0.000 0.964 207 Q CA 1.214 57.047 55.803 0.049 0.000 0.855 207 Q CB -0.297 28.465 28.738 0.040 0.000 0.918 207 Q HN 0.672 nan 8.270 nan 0.000 0.444 208 A N 1.657 124.515 122.820 0.063 0.000 1.859 208 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 208 A C 2.164 179.770 177.584 0.036 0.000 1.198 208 A CA 1.271 53.334 52.037 0.044 0.000 0.629 208 A CB -0.953 18.138 19.000 0.151 0.000 0.830 208 A HN 0.283 nan 8.150 nan 0.000 0.446 209 L N -0.781 120.498 121.223 0.095 0.000 1.990 209 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 209 L C 2.909 179.805 176.870 0.043 0.000 1.072 209 L CA 2.121 57.011 54.840 0.084 0.000 0.755 209 L CB -0.982 41.150 42.059 0.121 0.000 0.889 209 L HN 0.435 nan 8.230 nan 0.000 0.432 210 T N -0.858 113.724 114.554 0.047 0.000 2.665 210 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 210 T C 1.665 176.371 174.700 0.009 0.000 1.035 210 T CA 2.010 64.128 62.100 0.031 0.000 1.151 210 T CB -0.385 68.502 68.868 0.031 0.000 0.862 210 T HN 0.273 nan 8.240 nan 0.000 0.438 211 N N 0.347 119.045 118.700 -0.004 0.000 2.354 211 N HA 0.107 4.847 4.740 -0.000 0.000 0.179 211 N C 1.611 177.103 175.510 -0.031 0.000 1.021 211 N CA 0.560 53.598 53.050 -0.020 0.000 0.887 211 N CB -0.265 38.204 38.487 -0.030 0.000 0.974 211 N HN 0.333 nan 8.380 nan 0.000 0.437 212 L N -0.570 120.626 121.223 -0.045 0.000 2.270 212 L HA 0.020 4.360 4.340 -0.000 0.000 0.210 212 L C 1.791 178.630 176.870 -0.052 0.000 1.104 212 L CA 0.105 54.911 54.840 -0.057 0.000 0.804 212 L CB -0.221 41.773 42.059 -0.109 0.000 0.937 212 L HN 0.210 nan 8.230 nan 0.000 0.450 213 L N 1.399 122.601 121.223 -0.035 0.000 2.013 213 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 213 L C -0.535 176.319 176.870 -0.026 0.000 1.073 213 L CA 2.302 57.122 54.840 -0.034 0.000 0.753 213 L CB -1.586 40.468 42.059 -0.009 0.000 0.890 213 L HN 0.126 nan 8.230 nan 0.000 0.432 214 P HA -0.118 nan 4.420 nan 0.000 0.231 214 P C 1.011 178.319 177.300 0.012 0.000 1.158 214 P CA 1.331 64.431 63.100 -0.000 0.000 0.763 214 P CB -0.017 31.684 31.700 0.001 0.000 0.805 215 K N -0.892 119.518 120.400 0.016 0.000 2.313 215 K HA 0.115 4.434 4.320 -0.000 0.000 0.197 215 K C 0.954 177.623 176.600 0.115 0.000 1.061 215 K CA 0.273 56.611 56.287 0.084 0.000 0.980 215 K CB 0.220 32.795 32.500 0.125 0.000 0.888 215 K HN 0.076 nan 8.250 nan 0.000 0.502 216 V N -0.336 119.525 119.914 -0.088 0.000 3.036 216 V HA 0.175 4.295 4.120 -0.000 0.000 0.308 216 V C 0.400 176.440 176.094 -0.090 0.000 1.070 216 V CA -0.386 61.738 62.300 -0.294 0.000 1.056 216 V CB 1.429 32.932 31.823 -0.534 0.000 1.084 216 V HN 0.039 nan 8.190 nan 0.000 0.471 217 D N 0.939 121.310 120.400 -0.049 0.000 2.301 217 D HA 0.154 4.793 4.640 -0.000 0.000 0.206 217 D C 0.231 176.526 176.300 -0.008 0.000 0.979 217 D CA 0.920 54.925 54.000 0.008 0.000 0.874 217 D CB 0.520 41.359 40.800 0.066 0.000 0.968 217 D HN 0.673 nan 8.370 nan 0.000 0.510 218 K N 0.270 120.645 120.400 -0.042 0.000 2.527 218 K HA 0.519 4.839 4.320 -0.000 0.000 0.260 218 K C -1.512 175.051 176.600 -0.061 0.000 0.937 218 K CA -0.850 55.441 56.287 0.005 0.000 0.826 218 K CB 2.861 35.421 32.500 0.101 0.000 1.359 218 K HN -0.173 nan 8.250 nan 0.000 0.434 219 L N 2.650 123.847 121.223 -0.044 0.000 2.409 219 L HA 0.553 4.892 4.340 -0.000 0.000 0.272 219 L C -1.627 175.183 176.870 -0.100 0.000 0.980 219 L CA -0.464 54.317 54.840 -0.099 0.000 0.826 219 L CB 1.461 43.441 42.059 -0.131 0.000 1.268 219 L HN 0.649 nan 8.230 nan 0.000 0.407 220 I N 6.166 126.618 120.570 -0.196 0.000 2.354 220 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 220 I C -0.597 175.307 176.117 -0.354 0.000 0.989 220 I CA -0.396 60.676 61.300 -0.381 0.000 1.188 220 I CB 1.557 39.136 38.000 -0.703 0.000 1.342 220 I HN 0.510 nan 8.210 nan 0.000 0.457 221 I N 5.602 125.966 120.570 -0.343 0.000 2.355 221 I HA 0.556 4.726 4.170 -0.000 0.000 0.288 221 I C 0.526 176.523 176.117 -0.199 0.000 0.999 221 I CA -0.072 61.053 61.300 -0.293 0.000 1.163 221 I CB 1.634 39.359 38.000 -0.458 0.000 1.316 221 I HN 0.678 nan 8.210 nan 0.000 0.454 222 G N 3.092 111.818 108.800 -0.123 0.000 3.251 222 G HA2 0.776 4.736 3.960 -0.000 0.000 0.248 222 G HA3 0.776 4.736 3.960 -0.000 0.000 0.248 222 G C -0.131 174.754 174.900 -0.025 0.000 1.320 222 G CA -0.475 44.605 45.100 -0.033 0.000 0.982 222 G HN 0.953 nan 8.290 nan 0.000 0.575 223 G N -1.602 107.208 108.800 0.016 0.000 2.804 223 G HA2 0.353 4.313 3.960 -0.000 0.000 0.230 223 G HA3 0.353 4.313 3.960 -0.000 0.000 0.230 223 G C 0.830 175.734 174.900 0.006 0.000 1.386 223 G CA 0.112 45.240 45.100 0.046 0.000 0.875 223 G HN 1.872 nan 8.290 nan 0.000 0.557 227 F N 1.963 121.972 119.950 0.098 0.000 2.293 227 F HA -0.007 4.520 4.527 -0.000 0.000 0.300 227 F C 2.482 178.308 175.800 0.044 0.000 1.086 227 F CA 2.086 60.117 58.000 0.052 0.000 1.375 227 F CB -0.664 38.359 39.000 0.038 0.000 1.045 227 F HN 0.206 nan 8.300 nan 0.000 0.516 228 T N -0.138 114.532 114.554 0.194 0.000 2.777 228 T HA -0.137 4.212 4.350 -0.000 0.000 0.266 228 T C 1.805 176.460 174.700 -0.074 0.000 1.040 228 T CA 1.217 63.333 62.100 0.027 0.000 1.141 228 T CB -0.546 68.288 68.868 -0.056 0.000 0.868 228 T HN 0.072 nan 8.240 nan 0.000 0.444 229 F N 1.195 121.145 119.950 0.000 0.000 2.102 229 F HA 0.041 4.568 4.527 -0.001 0.000 0.298 229 F C 2.165 177.933 175.800 -0.053 0.000 1.105 229 F CA 0.858 58.841 58.000 -0.029 0.000 1.239 229 F CB -0.680 38.286 39.000 -0.057 0.000 0.991 229 F HN 0.053 nan 8.300 nan 0.000 0.474 230 L N -0.195 121.066 121.223 0.065 0.000 2.017 230 L HA -0.240 4.099 4.340 -0.000 0.000 0.208 230 L C 2.462 179.368 176.870 0.061 0.000 1.073 230 L CA 1.392 56.142 54.840 -0.150 0.000 0.745 230 L CB -0.608 41.267 42.059 -0.306 0.000 0.894 230 L HN 0.033 nan 8.230 nan 0.000 0.432 231 K N 0.635 121.105 120.400 0.116 0.000 2.097 231 K HA -0.128 4.191 4.320 -0.000 0.000 0.206 231 K C 1.991 178.649 176.600 0.097 0.000 1.049 231 K CA 1.530 57.893 56.287 0.128 0.000 0.933 231 K CB -0.351 32.206 32.500 0.094 0.000 0.717 231 K HN 0.240 nan 8.250 nan 0.000 0.442 232 A N 0.331 123.181 122.820 0.049 0.000 1.972 232 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 232 A C 1.990 179.623 177.584 0.082 0.000 1.169 232 A CA 1.304 53.357 52.037 0.026 0.000 0.635 232 A CB -0.527 18.441 19.000 -0.053 0.000 0.810 232 A HN 0.325 nan 8.150 nan 0.000 0.446 233 L N -1.417 119.891 121.223 0.141 0.000 2.610 233 L HA 0.146 4.486 4.340 -0.000 0.000 0.232 233 L C 1.677 178.694 176.870 0.244 0.000 1.149 233 L CA 0.605 55.569 54.840 0.206 0.000 0.872 233 L CB -0.126 42.097 42.059 0.273 0.000 0.992 233 L HN 0.606 nan 8.230 nan 0.000 0.447 234 G N -1.897 107.036 108.800 0.221 0.000 2.179 234 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.220 234 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.220 234 G C -0.030 174.982 174.900 0.186 0.000 0.990 234 G CA -0.614 44.581 45.100 0.158 0.000 0.646 234 G HN 0.143 nan 8.290 nan 0.000 0.517 235 Y N 1.532 121.868 120.300 0.061 0.000 2.411 235 Y HA 0.436 4.985 4.550 -0.001 0.000 0.333 235 Y C 0.951 176.888 175.900 0.062 0.000 1.186 235 Y CA -0.694 57.447 58.100 0.068 0.000 1.381 235 Y CB 0.554 39.075 38.460 0.101 0.000 1.273 235 Y HN 0.094 nan 8.280 nan 0.000 0.546 236 D N 3.097 123.613 120.400 0.193 0.000 2.389 236 D HA 0.081 4.721 4.640 -0.000 0.000 0.247 236 D C 0.431 176.827 176.300 0.160 0.000 1.128 236 D CA 0.206 54.283 54.000 0.127 0.000 0.884 236 D CB 0.612 41.451 40.800 0.065 0.000 1.194 236 D HN 0.624 nan 8.370 nan 0.000 0.441 237 I N 0.452 121.078 120.570 0.092 0.000 4.050 237 I HA 0.386 4.556 4.170 -0.000 0.000 0.327 237 I C 1.109 177.169 176.117 -0.096 0.000 1.473 237 I CA -0.370 60.945 61.300 0.025 0.000 1.124 237 I CB 0.389 38.410 38.000 0.036 0.000 1.129 237 I HN 0.472 nan 8.210 nan 0.000 0.428 238 G N 2.989 111.771 108.800 -0.031 0.000 2.614 238 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.303 238 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.303 238 G C 0.306 175.172 174.900 -0.057 0.000 1.270 238 G CA 0.907 45.990 45.100 -0.029 0.000 0.988 238 G HN 0.481 nan 8.290 nan 0.000 0.551 239 N N 1.444 120.109 118.700 -0.059 0.000 2.276 239 N HA 0.320 5.060 4.740 -0.000 0.000 0.212 239 N C 0.595 176.015 175.510 -0.149 0.000 1.127 239 N CA 0.706 53.710 53.050 -0.077 0.000 0.834 239 N CB 0.265 38.727 38.487 -0.042 0.000 1.014 239 N HN 0.531 nan 8.380 nan 0.000 0.491 240 S N 0.380 115.913 115.700 -0.279 0.000 2.566 240 S HA 0.093 4.563 4.470 -0.000 0.000 0.280 240 S C 0.672 175.126 174.600 -0.243 0.000 1.343 240 S CA -0.410 57.514 58.200 -0.461 0.000 1.036 240 S CB 0.755 63.200 63.200 -1.259 0.000 0.866 240 S HN 0.228 nan 8.310 nan 0.000 0.526 241 L N 2.062 123.211 121.223 -0.123 0.000 2.578 241 L HA 0.061 4.401 4.340 -0.000 0.000 0.279 241 L C -0.254 176.658 176.870 0.071 0.000 1.227 241 L CA 0.209 55.057 54.840 0.014 0.000 0.900 241 L CB -0.223 41.892 42.059 0.093 0.000 1.144 241 L HN 0.454 nan 8.230 nan 0.000 0.496 242 L N 4.039 125.290 121.223 0.047 0.000 2.470 242 L HA 0.324 4.663 4.340 -0.000 0.000 0.268 242 L C -0.599 176.292 176.870 0.035 0.000 0.964 242 L CA -0.082 54.791 54.840 0.055 0.000 0.839 242 L CB 2.034 44.112 42.059 0.030 0.000 1.276 242 L HN 0.468 nan 8.230 nan 0.000 0.403 243 E N 3.884 124.102 120.200 0.030 0.000 2.079 243 E HA 0.097 4.447 4.350 -0.000 0.000 0.252 243 E C 0.255 176.849 176.600 -0.009 0.000 0.992 243 E CA -0.033 56.373 56.400 0.010 0.000 0.829 243 E CB 0.877 30.583 29.700 0.010 0.000 1.158 243 E HN 0.731 nan 8.360 nan 0.000 0.435 244 E N 2.638 122.836 120.200 -0.004 0.000 2.209 244 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 244 E C 1.568 178.158 176.600 -0.017 0.000 0.993 244 E CA 1.041 57.435 56.400 -0.009 0.000 0.819 244 E CB 0.325 30.023 29.700 -0.002 0.000 0.745 244 E HN 0.423 nan 8.360 nan 0.000 0.477 245 E N 0.435 120.626 120.200 -0.014 0.000 2.478 245 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 245 E C 1.339 177.923 176.600 -0.027 0.000 1.046 245 E CA 0.573 56.964 56.400 -0.015 0.000 0.870 245 E CB -0.032 29.664 29.700 -0.007 0.000 0.818 245 E HN 0.401 nan 8.360 nan 0.000 0.527 246 L N 0.617 121.813 121.223 -0.045 0.000 2.959 246 L HA 0.258 4.597 4.340 -0.000 0.000 0.259 246 L C 1.832 178.627 176.870 -0.126 0.000 1.185 246 L CA -0.208 54.588 54.840 -0.074 0.000 0.998 246 L CB 0.154 42.170 42.059 -0.072 0.000 1.337 246 L HN -0.023 nan 8.230 nan 0.000 0.555 247 L N 0.067 121.230 121.223 -0.100 0.000 2.093 247 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 247 L C 2.559 179.366 176.870 -0.106 0.000 1.085 247 L CA 1.092 55.862 54.840 -0.116 0.000 0.755 247 L CB -0.081 41.941 42.059 -0.061 0.000 0.904 247 L HN 0.282 nan 8.230 nan 0.000 0.435 248 E N 0.122 120.281 120.200 -0.070 0.000 2.107 248 E HA -0.182 4.167 4.350 -0.000 0.000 0.191 248 E C 2.019 178.585 176.600 -0.056 0.000 0.982 248 E CA 1.059 57.430 56.400 -0.048 0.000 0.809 248 E CB 0.050 29.734 29.700 -0.027 0.000 0.756 248 E HN 0.272 nan 8.360 nan 0.000 0.459 249 E N 0.346 120.504 120.200 -0.070 0.000 2.110 249 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 249 E C 1.982 178.519 176.600 -0.105 0.000 0.988 249 E CA 1.121 57.483 56.400 -0.062 0.000 0.804 249 E CB -0.481 29.187 29.700 -0.054 0.000 0.745 249 E HN 0.368 nan 8.360 nan 0.000 0.458 250 A N 2.080 124.741 122.820 -0.266 0.000 1.902 250 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 250 A C 1.978 179.479 177.584 -0.138 0.000 1.181 250 A CA 1.536 53.255 52.037 -0.530 0.000 0.623 250 A CB -0.507 17.895 19.000 -0.997 0.000 0.818 250 A HN 0.151 nan 8.150 nan 0.000 0.443 251 N N -0.111 118.536 118.700 -0.088 0.000 2.223 251 N HA -0.120 4.619 4.740 -0.000 0.000 0.185 251 N C 1.620 177.146 175.510 0.026 0.000 1.016 251 N CA 1.350 54.398 53.050 -0.002 0.000 0.863 251 N CB -0.265 38.218 38.487 -0.007 0.000 0.983 251 N HN 0.576 nan 8.380 nan 0.000 0.429 252 K N 0.515 120.925 120.400 0.016 0.000 2.026 252 K HA -0.004 4.315 4.320 -0.000 0.000 0.208 252 K C 1.945 178.579 176.600 0.055 0.000 1.048 252 K CA 0.675 56.980 56.287 0.029 0.000 0.929 252 K CB 0.031 32.543 32.500 0.020 0.000 0.713 252 K HN 0.070 nan 8.250 nan 0.000 0.439 253 I N 1.478 122.106 120.570 0.096 0.000 2.163 253 I HA -0.271 3.898 4.170 -0.000 0.000 0.243 253 I C 2.275 178.463 176.117 0.119 0.000 1.085 253 I CA 1.547 62.931 61.300 0.139 0.000 1.347 253 I CB -0.923 37.248 38.000 0.284 0.000 1.044 253 I HN 0.199 nan 8.210 nan 0.000 0.408 254 L N -0.022 121.291 121.223 0.150 0.000 2.056 254 L HA -0.196 4.143 4.340 -0.000 0.000 0.207 254 L C 2.574 179.474 176.870 0.050 0.000 1.078 254 L CA 1.511 56.411 54.840 0.100 0.000 0.749 254 L CB -0.942 41.194 42.059 0.129 0.000 0.901 254 L HN 0.217 nan 8.230 nan 0.000 0.433 255 T N -0.716 113.867 114.554 0.047 0.000 2.777 255 T HA -0.227 4.123 4.350 -0.000 0.000 0.266 255 T C 1.919 176.632 174.700 0.021 0.000 1.040 255 T CA 1.443 63.560 62.100 0.029 0.000 1.141 255 T CB -0.086 68.797 68.868 0.026 0.000 0.868 255 T HN 0.205 nan 8.240 nan 0.000 0.444 256 K N 0.634 121.049 120.400 0.025 0.000 2.057 256 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 256 K C 2.489 179.094 176.600 0.009 0.000 1.049 256 K CA 1.393 57.691 56.287 0.018 0.000 0.931 256 K CB -0.540 31.974 32.500 0.023 0.000 0.714 256 K HN 0.335 nan 8.250 nan 0.000 0.440 257 G N 1.047 109.851 108.800 0.007 0.000 2.418 257 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 257 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 257 G C 1.450 176.338 174.900 -0.019 0.000 1.158 257 G CA 0.912 46.005 45.100 -0.013 0.000 0.771 257 G HN 0.312 nan 8.290 nan 0.000 0.545 258 K N 0.275 120.667 120.400 -0.012 0.000 2.057 258 K HA -0.107 4.212 4.320 -0.000 0.000 0.207 258 K C 2.359 178.956 176.600 -0.006 0.000 1.049 258 K CA 1.313 57.592 56.287 -0.013 0.000 0.931 258 K CB -0.123 32.374 32.500 -0.005 0.000 0.714 258 K HN 0.132 nan 8.250 nan 0.000 0.440 259 N N 0.892 119.592 118.700 0.000 0.000 2.120 259 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 259 N C 1.679 177.190 175.510 0.002 0.000 1.024 259 N CA 1.115 54.167 53.050 0.003 0.000 0.852 259 N CB -0.160 38.330 38.487 0.006 0.000 1.003 259 N HN 0.219 nan 8.380 nan 0.000 0.424 260 L N -0.406 120.817 121.223 -0.000 0.000 2.465 260 L HA 0.071 4.410 4.340 -0.000 0.000 0.224 260 L C 1.230 178.099 176.870 -0.001 0.000 1.145 260 L CA 0.497 55.338 54.840 0.001 0.000 0.834 260 L CB -0.398 41.660 42.059 -0.002 0.000 0.944 260 L HN 0.254 nan 8.230 nan 0.000 0.451 261 G N 0.021 108.817 108.800 -0.006 0.000 2.143 261 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.248 261 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.248 261 G C 0.208 175.099 174.900 -0.016 0.000 0.991 261 G CA 0.075 45.170 45.100 -0.008 0.000 0.689 261 G HN 0.108 nan 8.290 nan 0.000 0.522 262 V N 1.375 121.271 119.914 -0.029 0.000 2.614 262 V HA 0.356 4.475 4.120 -0.000 0.000 0.291 262 V C 0.538 176.588 176.094 -0.074 0.000 1.049 262 V CA -0.341 61.933 62.300 -0.044 0.000 1.038 262 V CB 1.461 33.251 31.823 -0.055 0.000 0.980 262 V HN 0.238 nan 8.190 nan 0.000 0.481 263 K N 5.786 126.140 120.400 -0.076 0.000 2.267 263 K HA 0.516 4.836 4.320 -0.000 0.000 0.282 263 K C -0.629 175.789 176.600 -0.303 0.000 1.078 263 K CA -0.030 56.148 56.287 -0.180 0.000 0.903 263 K CB 1.210 33.681 32.500 -0.049 0.000 1.111 263 K HN 0.496 nan 8.250 nan 0.000 0.475 264 I N 3.777 124.094 120.570 -0.422 0.000 2.354 264 I HA 0.255 4.424 4.170 -0.000 0.000 0.292 264 I C -0.650 175.130 176.117 -0.562 0.000 0.989 264 I CA -1.040 60.045 61.300 -0.359 0.000 1.188 264 I CB 0.708 38.572 38.000 -0.226 0.000 1.342 264 I HN 0.375 nan 8.210 nan 0.000 0.457 265 Y N 6.269 126.509 120.300 -0.099 0.000 2.328 265 Y HA 0.565 5.115 4.550 -0.000 0.000 0.336 265 Y C -0.150 175.718 175.900 -0.053 0.000 0.960 265 Y CA -0.569 57.519 58.100 -0.020 0.000 1.134 265 Y CB 1.517 40.002 38.460 0.042 0.000 1.166 265 Y HN 0.340 nan 8.280 nan 0.000 0.464 266 L N 4.717 126.022 121.223 0.136 0.000 2.331 266 L HA 0.631 4.971 4.340 -0.000 0.000 0.268 266 L C -2.302 174.718 176.870 0.250 0.000 1.015 266 L CA -2.437 52.457 54.840 0.090 0.000 0.807 266 L CB 1.325 43.350 42.059 -0.056 0.000 1.293 266 L HN 0.374 nan 8.230 nan 0.000 0.451 267 P HA -0.051 nan 4.420 nan 0.000 0.265 267 P C 0.377 177.694 177.300 0.029 0.000 1.193 267 P CA -0.069 63.081 63.100 0.083 0.000 0.765 267 P CB 0.584 32.281 31.700 -0.005 0.000 0.823 268 V N -1.020 118.896 119.914 0.005 0.000 3.644 268 V HA 0.228 4.347 4.120 -0.000 0.000 0.267 268 V C 0.150 176.288 176.094 0.075 0.000 1.277 268 V CA 0.612 62.948 62.300 0.061 0.000 1.096 268 V CB -0.486 31.366 31.823 0.048 0.000 0.828 268 V HN 0.544 nan 8.190 nan 0.000 0.446 269 D N 0.289 120.716 120.400 0.046 0.000 2.599 269 D HA 0.598 5.238 4.640 -0.000 0.000 0.252 269 D C -0.761 175.595 176.300 0.094 0.000 1.232 269 D CA 0.026 54.079 54.000 0.087 0.000 0.819 269 D CB 2.200 43.056 40.800 0.092 0.000 1.401 269 D HN 0.462 nan 8.370 nan 0.000 0.429 270 V N -3.067 116.923 119.914 0.127 0.000 3.147 270 V HA 0.709 4.828 4.120 -0.000 0.000 0.306 270 V C -0.836 175.294 176.094 0.060 0.000 1.209 270 V CA -1.051 61.324 62.300 0.126 0.000 1.023 270 V CB 1.645 33.588 31.823 0.201 0.000 1.059 270 V HN 0.489 nan 8.190 nan 0.000 0.435 271 V N 2.581 122.495 119.914 -0.001 0.000 2.389 271 V HA 0.738 4.858 4.120 -0.000 0.000 0.264 271 V C 0.807 176.864 176.094 -0.061 0.000 1.049 271 V CA 0.570 62.749 62.300 -0.201 0.000 0.932 271 V CB 0.492 32.243 31.823 -0.120 0.000 1.011 271 V HN 1.352 nan 8.190 nan 0.000 0.475 272 A N 4.620 127.432 122.820 -0.012 0.000 2.325 272 A HA 0.998 5.318 4.320 -0.000 0.000 0.333 272 A C -0.009 177.696 177.584 0.201 0.000 1.155 272 A CA -0.086 52.029 52.037 0.131 0.000 0.814 272 A CB 1.567 20.729 19.000 0.270 0.000 1.206 272 A HN 1.316 nan 8.150 nan 0.000 0.482 273 A N 1.847 124.668 122.820 0.002 0.000 2.594 273 A HA 0.862 5.182 4.320 -0.000 0.000 0.291 273 A C -2.510 174.597 177.584 -0.796 0.000 1.105 273 A CA -1.239 50.549 52.037 -0.415 0.000 0.694 273 A CB 0.949 19.806 19.000 -0.237 0.000 1.291 273 A HN 0.468 nan 8.150 nan 0.000 0.410 274 P HA 0.211 nan 4.420 nan 0.000 0.229 274 P C 0.344 177.356 177.300 -0.480 0.000 1.160 274 P CA 1.585 64.035 63.100 -1.082 0.000 0.777 274 P CB 0.351 31.433 31.700 -1.031 0.000 0.814 275 A N -1.245 121.348 122.820 -0.377 0.000 2.609 275 A HA 0.440 4.760 4.320 -0.000 0.000 0.291 275 A C -1.091 176.382 177.584 -0.184 0.000 1.096 275 A CA -0.494 51.408 52.037 -0.225 0.000 0.684 275 A CB 0.734 19.637 19.000 -0.162 0.000 1.282 275 A HN 0.021 nan 8.150 nan 0.000 0.412 276 C N 2.872 122.086 119.300 -0.143 0.000 2.183 276 C HA 0.688 5.148 4.460 -0.000 0.000 0.409 276 C C 0.702 175.694 174.990 0.003 0.000 1.022 276 C CA 0.532 59.483 59.018 -0.111 0.000 1.367 276 C CB -2.674 24.990 27.740 -0.126 0.000 1.650 276 C HN 1.271 nan 8.230 nan 0.000 0.499 277 S N 2.608 118.363 115.700 0.092 0.000 2.656 277 S HA 0.325 4.795 4.470 -0.000 0.000 0.273 277 S C 0.187 174.862 174.600 0.126 0.000 1.168 277 S CA -0.533 57.717 58.200 0.083 0.000 0.817 277 S CB 1.277 64.484 63.200 0.011 0.000 1.146 277 S HN 0.611 nan 8.310 nan 0.000 0.475 278 Q N -0.267 119.554 119.800 0.034 0.000 2.297 278 Q HA 0.010 4.350 4.340 -0.000 0.000 0.204 278 Q C -0.097 175.877 176.000 -0.043 0.000 0.962 278 Q CA 1.386 57.168 55.803 -0.035 0.000 0.879 278 Q CB -0.040 28.668 28.738 -0.050 0.000 0.947 278 Q HN 0.725 nan 8.270 nan 0.000 0.462 279 D N 0.550 120.939 120.400 -0.019 0.000 3.179 279 D HA 0.129 4.768 4.640 -0.000 0.000 0.267 279 D C -1.091 175.193 176.300 -0.026 0.000 1.348 279 D CA -0.287 53.698 54.000 -0.024 0.000 0.897 279 D CB 0.319 41.106 40.800 -0.022 0.000 1.062 279 D HN 0.073 nan 8.370 nan 0.000 0.494 280 V N -1.176 118.725 119.914 -0.022 0.000 2.876 280 V HA 0.747 4.867 4.120 -0.000 0.000 0.312 280 V C -2.268 173.807 176.094 -0.032 0.000 1.085 280 V CA -1.682 60.590 62.300 -0.046 0.000 0.945 280 V CB 1.288 33.075 31.823 -0.060 0.000 1.017 280 V HN -0.037 nan 8.190 nan 0.000 0.428 284 F N 2.275 122.301 119.950 0.127 0.000 2.371 284 F HA 0.378 4.905 4.527 -0.000 0.000 0.363 284 F C 0.358 176.204 175.800 0.077 0.000 1.122 284 F CA -0.671 57.392 58.000 0.104 0.000 1.129 284 F CB 1.340 40.388 39.000 0.080 0.000 1.173 284 F HN 0.163 nan 8.300 nan 0.000 0.489 285 V N 1.857 121.865 119.914 0.157 0.000 2.962 285 V HA 0.710 4.830 4.120 -0.000 0.000 0.313 285 V C -2.904 173.260 176.094 0.116 0.000 1.099 285 V CA -3.288 59.078 62.300 0.111 0.000 0.971 285 V CB 2.001 33.856 31.823 0.053 0.000 1.028 285 V HN 0.298 nan 8.190 nan 0.000 0.430 286 P HA 0.190 nan 4.420 nan 0.000 0.266 286 P C 0.840 178.229 177.300 0.148 0.000 1.193 286 P CA 0.711 63.877 63.100 0.111 0.000 0.770 286 P CB 0.842 32.593 31.700 0.086 0.000 0.836 287 A N 3.283 126.218 122.820 0.193 0.000 2.076 287 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 287 A C 1.651 179.450 177.584 0.358 0.000 1.160 287 A CA 1.555 53.751 52.037 0.265 0.000 0.653 287 A CB -0.954 18.183 19.000 0.228 0.000 0.801 287 A HN 0.666 nan 8.150 nan 0.000 0.455 288 Q N -0.546 119.428 119.800 0.290 0.000 2.444 288 Q HA 0.011 4.351 4.340 -0.000 0.000 0.206 288 Q C -0.053 176.001 176.000 0.089 0.000 0.948 288 Q CA 0.684 56.585 55.803 0.163 0.000 0.946 288 Q CB 0.134 28.853 28.738 -0.032 0.000 1.027 288 Q HN 0.747 nan 8.270 nan 0.000 0.513 289 E N 0.691 120.943 120.200 0.086 0.000 3.306 289 E HA 0.204 4.554 4.350 -0.000 0.000 0.197 289 E C -0.751 175.849 176.600 0.001 0.000 0.980 289 E CA -0.203 56.211 56.400 0.023 0.000 1.259 289 E CB 0.659 30.363 29.700 0.007 0.000 1.112 289 E HN 0.219 nan 8.360 nan 0.000 0.458 290 I N 2.842 123.433 120.570 0.035 0.000 2.533 290 I HA 0.086 4.256 4.170 -0.000 0.000 0.284 290 I C -2.055 174.024 176.117 -0.063 0.000 1.109 290 I CA -1.723 59.583 61.300 0.010 0.000 1.412 290 I CB 0.205 38.231 38.000 0.044 0.000 1.396 290 I HN -0.140 nan 8.210 nan 0.000 0.543 291 P HA 0.009 nan 4.420 nan 0.000 0.267 291 P C -0.791 176.432 177.300 -0.129 0.000 1.200 291 P CA -0.233 62.675 63.100 -0.322 0.000 0.772 291 P CB 0.303 31.456 31.700 -0.912 0.000 0.855 292 N N 1.713 120.362 118.700 -0.085 0.000 2.359 292 N HA 0.127 4.866 4.740 -0.000 0.000 0.261 292 N C 1.585 177.159 175.510 0.107 0.000 1.267 292 N CA 1.758 54.811 53.050 0.006 0.000 0.864 292 N CB -0.257 38.229 38.487 -0.001 0.000 1.063 292 N HN 0.763 nan 8.380 nan 0.000 0.474 293 G N 0.333 109.209 108.800 0.127 0.000 2.176 293 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.253 293 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.253 293 G C -0.228 174.832 174.900 0.267 0.000 0.979 293 G CA -0.044 45.160 45.100 0.174 0.000 0.641 293 G HN 0.500 nan 8.290 nan 0.000 0.530 297 L N 0.576 121.740 121.223 -0.098 0.000 2.817 297 L HA 0.416 4.756 4.340 -0.000 0.000 0.248 297 L C 0.147 176.987 176.870 -0.050 0.000 1.133 297 L CA 0.107 54.801 54.840 -0.243 0.000 0.935 297 L CB 0.840 42.346 42.059 -0.920 0.000 1.266 297 L HN 0.510 nan 8.230 nan 0.000 0.535 298 D N -0.066 120.377 120.400 0.071 0.000 2.648 298 D HA 0.283 4.922 4.640 -0.000 0.000 0.244 298 D C -0.713 175.666 176.300 0.132 0.000 1.244 298 D CA -0.550 53.537 54.000 0.146 0.000 0.772 298 D CB 1.813 42.748 40.800 0.226 0.000 1.379 298 D HN 0.054 nan 8.370 nan 0.000 0.428 299 I N -0.390 120.253 120.570 0.122 0.000 2.696 299 I HA 0.649 4.819 4.170 -0.000 0.000 0.284 299 I C 0.882 177.063 176.117 0.106 0.000 1.129 299 I CA -0.390 60.964 61.300 0.089 0.000 1.410 299 I CB 0.730 38.781 38.000 0.085 0.000 1.399 299 I HN 0.247 nan 8.210 nan 0.000 0.579 300 G N 3.838 112.694 108.800 0.094 0.000 2.543 300 G HA2 0.442 4.402 3.960 -0.000 0.000 0.290 300 G HA3 0.442 4.402 3.960 -0.000 0.000 0.290 300 G C -1.734 173.226 174.900 0.101 0.000 1.310 300 G CA -1.101 44.108 45.100 0.181 0.000 1.025 300 G HN 0.620 nan 8.290 nan 0.000 0.502 301 P HA 0.002 nan 4.420 nan 0.000 0.222 301 P C 1.705 178.991 177.300 -0.025 0.000 1.153 301 P CA 1.389 64.511 63.100 0.037 0.000 0.798 301 P CB 0.221 31.926 31.700 0.007 0.000 0.796 302 A N 0.368 123.171 122.820 -0.028 0.000 1.930 302 A HA -0.106 4.213 4.320 -0.000 0.000 0.217 302 A C 2.439 179.916 177.584 -0.178 0.000 1.175 302 A CA 1.893 53.889 52.037 -0.070 0.000 0.627 302 A CB -1.441 17.540 19.000 -0.033 0.000 0.815 302 A HN 0.154 nan 8.150 nan 0.000 0.443 303 S N -0.306 115.241 115.700 -0.254 0.000 2.356 303 S HA -0.130 4.340 4.470 -0.000 0.000 0.223 303 S C 1.890 176.010 174.600 -0.799 0.000 1.032 303 S CA 1.391 59.214 58.200 -0.627 0.000 1.005 303 S CB -0.520 62.331 63.200 -0.581 0.000 0.867 303 S HN 0.330 nan 8.310 nan 0.000 0.449 304 V N 1.937 121.647 119.914 -0.341 0.000 2.332 304 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 304 V C 2.562 178.636 176.094 -0.032 0.000 1.055 304 V CA 1.983 64.223 62.300 -0.101 0.000 1.038 304 V CB -0.585 31.263 31.823 0.041 0.000 0.651 304 V HN 0.284 nan 8.190 nan 0.000 0.450 305 R N -0.050 120.398 120.500 -0.087 0.000 2.092 305 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 305 R C 1.991 178.213 176.300 -0.130 0.000 1.119 305 R CA 1.508 57.557 56.100 -0.085 0.000 0.970 305 R CB -0.790 29.468 30.300 -0.070 0.000 0.864 305 R HN 0.434 nan 8.270 nan 0.000 0.440 306 L N -0.306 120.805 121.223 -0.187 0.000 2.017 306 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 306 L C 1.720 178.545 176.870 -0.074 0.000 1.073 306 L CA 1.789 56.534 54.840 -0.159 0.000 0.745 306 L CB -0.700 41.250 42.059 -0.182 0.000 0.894 306 L HN 0.112 nan 8.230 nan 0.000 0.432 307 F N 0.475 120.327 119.950 -0.164 0.000 2.171 307 F HA -0.184 4.342 4.527 -0.000 0.000 0.300 307 F C 2.569 178.256 175.800 -0.189 0.000 1.090 307 F CA 1.344 59.227 58.000 -0.195 0.000 1.293 307 F CB -1.304 37.624 39.000 -0.121 0.000 1.013 307 F HN 0.222 nan 8.300 nan 0.000 0.486 308 K N 0.705 121.108 120.400 0.005 0.000 2.032 308 K HA -0.223 4.096 4.320 -0.000 0.000 0.209 308 K C 1.882 178.365 176.600 -0.195 0.000 1.048 308 K CA 1.945 58.099 56.287 -0.222 0.000 0.927 308 K CB -0.128 32.042 32.500 -0.550 0.000 0.712 308 K HN 0.293 nan 8.250 nan 0.000 0.441 309 E N -0.042 120.062 120.200 -0.161 0.000 2.072 309 E HA -0.153 4.196 4.350 -0.000 0.000 0.191 309 E C 2.001 178.517 176.600 -0.140 0.000 0.985 309 E CA 1.258 57.575 56.400 -0.139 0.000 0.801 309 E CB 0.040 29.668 29.700 -0.120 0.000 0.750 309 E HN 0.090 nan 8.360 nan 0.000 0.452 310 V N 2.240 122.038 119.914 -0.195 0.000 2.332 310 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 310 V C 2.332 178.350 176.094 -0.128 0.000 1.055 310 V CA 1.965 64.115 62.300 -0.249 0.000 1.038 310 V CB -0.594 30.948 31.823 -0.469 0.000 0.651 310 V HN 0.403 nan 8.190 nan 0.000 0.450 311 I N -0.629 119.877 120.570 -0.107 0.000 3.793 311 I HA 0.058 4.228 4.170 -0.000 0.000 0.315 311 I C 2.233 178.323 176.117 -0.045 0.000 1.275 311 I CA 0.873 62.135 61.300 -0.064 0.000 1.214 311 I CB -0.305 37.656 38.000 -0.065 0.000 1.018 311 I HN 0.295 nan 8.210 nan 0.000 0.439 312 S N 1.966 117.628 115.700 -0.063 0.000 2.399 312 S HA -0.216 4.254 4.470 -0.000 0.000 0.231 312 S C 1.473 176.067 174.600 -0.009 0.000 1.022 312 S CA 1.341 59.509 58.200 -0.054 0.000 0.983 312 S CB -0.615 62.542 63.200 -0.072 0.000 0.803 312 S HN 0.750 nan 8.310 nan 0.000 0.480 313 D N 1.639 122.041 120.400 0.004 0.000 2.368 313 D HA 0.408 5.048 4.640 -0.000 0.000 0.218 313 D C 0.399 176.729 176.300 0.049 0.000 1.112 313 D CA -0.027 53.990 54.000 0.029 0.000 0.834 313 D CB -0.259 40.557 40.800 0.026 0.000 0.953 313 D HN 0.506 nan 8.370 nan 0.000 0.505 314 A N 0.384 123.234 122.820 0.051 0.000 2.425 314 A HA 0.227 4.547 4.320 -0.000 0.000 0.249 314 A C 1.073 178.715 177.584 0.097 0.000 1.084 314 A CA -0.216 51.872 52.037 0.084 0.000 0.781 314 A CB 0.686 19.739 19.000 0.088 0.000 1.019 314 A HN 0.062 nan 8.150 nan 0.000 0.490 315 Q N 0.300 120.168 119.800 0.112 0.000 2.378 315 Q HA 0.116 4.456 4.340 -0.000 0.000 0.229 315 Q C -0.287 175.778 176.000 0.107 0.000 0.882 315 Q CA 0.952 56.815 55.803 0.100 0.000 0.936 315 Q CB 0.703 29.487 28.738 0.076 0.000 1.092 315 Q HN 0.764 nan 8.270 nan 0.000 0.535 316 T N 1.080 115.723 114.554 0.147 0.000 2.881 316 T HA 0.649 4.999 4.350 -0.000 0.000 0.290 316 T C -0.389 174.508 174.700 0.328 0.000 1.000 316 T CA -0.370 61.823 62.100 0.156 0.000 0.978 316 T CB 1.606 70.436 68.868 -0.063 0.000 0.997 316 T HN -0.062 nan 8.240 nan 0.000 0.443 317 I N 2.278 123.035 120.570 0.311 0.000 2.478 317 I HA 0.429 4.598 4.170 -0.000 0.000 0.287 317 I C -1.316 175.074 176.117 0.455 0.000 1.042 317 I CA -0.800 60.708 61.300 0.347 0.000 1.067 317 I CB 1.987 40.094 38.000 0.178 0.000 1.233 317 I HN 0.634 nan 8.210 nan 0.000 0.431 318 W N 8.528 130.047 121.300 0.365 0.000 2.429 318 W HA 0.482 5.142 4.660 -0.000 0.000 0.314 318 W C -1.558 175.137 176.519 0.293 0.000 1.062 318 W CA -0.696 56.839 57.345 0.317 0.000 1.211 318 W CB 1.260 30.945 29.460 0.375 0.000 1.305 318 W HN 0.491 nan 8.180 nan 0.000 0.476 319 W N 9.671 130.616 121.300 -0.592 0.000 2.554 319 W HA 0.395 5.055 4.660 -0.001 0.000 0.324 319 W C -1.566 174.426 176.519 -0.878 0.000 1.018 319 W CA -1.474 55.497 57.345 -0.623 0.000 1.243 319 W CB 1.037 30.310 29.460 -0.312 0.000 1.345 319 W HN 0.336 nan 8.180 nan 0.000 0.441 320 N N 4.101 122.262 118.700 -0.897 0.000 2.549 320 N HA 0.568 5.308 4.740 -0.000 0.000 0.281 320 N C -0.755 174.474 175.510 -0.470 0.000 1.084 320 N CA 0.389 52.948 53.050 -0.819 0.000 0.862 320 N CB 1.473 39.442 38.487 -0.864 0.000 1.333 320 N HN 0.808 nan 8.380 nan 0.000 0.523 321 G N 2.993 111.482 108.800 -0.519 0.000 3.326 321 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.681 321 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.681 321 G C -3.247 171.602 174.900 -0.085 0.000 1.255 321 G CA -1.026 43.931 45.100 -0.238 0.000 0.976 321 G HN 0.393 nan 8.290 nan 0.000 0.563 325 V N 2.477 122.503 119.914 0.186 0.000 2.149 325 V HA 0.182 4.302 4.120 -0.000 0.000 0.245 325 V C 1.408 177.582 176.094 0.132 0.000 1.349 325 V CA 0.298 62.671 62.300 0.122 0.000 1.289 325 V CB -1.274 30.569 31.823 0.034 0.000 1.401 325 V HN 0.647 nan 8.190 nan 0.000 0.501 326 F N 1.364 121.375 119.950 0.102 0.000 2.451 326 F HA -0.014 4.512 4.527 -0.000 0.000 0.299 326 F C 1.593 177.432 175.800 0.065 0.000 1.101 326 F CA 0.756 58.807 58.000 0.085 0.000 1.436 326 F CB -0.434 38.598 39.000 0.053 0.000 1.074 326 F HN 0.371 nan 8.300 nan 0.000 0.553 327 E N 1.379 121.067 120.200 -0.852 0.000 2.333 327 E HA 0.019 4.369 4.350 -0.000 0.000 0.198 327 E C 0.282 176.779 176.600 -0.173 0.000 1.007 327 E CA 0.707 56.788 56.400 -0.532 0.000 0.845 327 E CB -0.158 29.217 29.700 -0.541 0.000 0.766 327 E HN 0.514 nan 8.360 nan 0.000 0.507 328 I N 0.900 121.434 120.570 -0.060 0.000 2.330 328 I HA 0.049 4.218 4.170 -0.000 0.000 0.289 328 I C 0.809 176.904 176.117 -0.037 0.000 1.001 328 I CA -0.478 60.817 61.300 -0.008 0.000 1.193 328 I CB 1.649 39.721 38.000 0.120 0.000 1.345 328 I HN -0.131 nan 8.210 nan 0.000 0.461 329 D N 4.988 125.346 120.400 -0.070 0.000 2.154 329 D HA -0.292 4.348 4.640 -0.000 0.000 0.190 329 D C 1.992 178.222 176.300 -0.116 0.000 1.003 329 D CA 1.938 55.902 54.000 -0.060 0.000 0.849 329 D CB 0.241 41.004 40.800 -0.063 0.000 0.942 329 D HN 0.522 nan 8.370 nan 0.000 0.446 330 K N -1.439 118.784 120.400 -0.294 0.000 2.160 330 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 330 K C 0.810 177.122 176.600 -0.480 0.000 1.047 330 K CA 1.125 57.113 56.287 -0.498 0.000 0.930 330 K CB -0.170 31.770 32.500 -0.933 0.000 0.720 330 K HN 0.223 nan 8.250 nan 0.000 0.450 331 F N -0.310 119.661 119.950 0.036 0.000 2.647 331 F HA 0.159 4.686 4.527 -0.000 0.000 0.300 331 F C 1.566 177.417 175.800 0.086 0.000 1.106 331 F CA -0.232 57.797 58.000 0.048 0.000 1.313 331 F CB 0.538 39.552 39.000 0.023 0.000 1.007 331 F HN 0.007 nan 8.300 nan 0.000 0.536 332 S N -1.438 114.374 115.700 0.186 0.000 2.517 332 S HA 0.050 4.520 4.470 -0.000 0.000 0.214 332 S C 1.672 176.353 174.600 0.135 0.000 0.991 332 S CA -0.084 58.232 58.200 0.193 0.000 0.906 332 S CB -0.066 63.227 63.200 0.154 0.000 0.789 332 S HN 0.272 nan 8.310 nan 0.000 0.513 333 K N 1.384 121.853 120.400 0.115 0.000 2.097 333 K HA 0.064 4.384 4.320 -0.000 0.000 0.205 333 K C 2.327 178.949 176.600 0.037 0.000 1.050 333 K CA 1.178 57.505 56.287 0.066 0.000 0.938 333 K CB -0.691 31.861 32.500 0.087 0.000 0.718 333 K HN 0.494 nan 8.250 nan 0.000 0.442 334 G N 0.618 109.470 108.800 0.087 0.000 2.440 334 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 334 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 334 G C 1.527 176.445 174.900 0.030 0.000 1.154 334 G CA 0.991 46.131 45.100 0.067 0.000 0.767 334 G HN 0.190 nan 8.290 nan 0.000 0.552 335 S N 0.308 116.057 115.700 0.081 0.000 2.368 335 S HA 0.008 4.478 4.470 -0.000 0.000 0.224 335 S C 2.279 176.883 174.600 0.006 0.000 1.029 335 S CA 0.546 58.811 58.200 0.109 0.000 0.988 335 S CB -0.099 63.188 63.200 0.146 0.000 0.838 335 S HN 0.236 nan 8.310 nan 0.000 0.462 336 I N 1.440 121.962 120.570 -0.081 0.000 2.252 336 I HA -0.036 4.134 4.170 -0.000 0.000 0.245 336 I C 1.281 177.075 176.117 -0.539 0.000 1.102 336 I CA 1.061 62.201 61.300 -0.268 0.000 1.385 336 I CB -0.904 36.969 38.000 -0.211 0.000 1.064 336 I HN 0.240 nan 8.210 nan 0.000 0.414 340 H N 1.027 120.001 119.070 -0.160 0.000 2.321 340 H HA 0.056 4.612 4.556 -0.000 0.000 0.300 340 H C 1.811 177.122 175.328 -0.029 0.000 1.087 340 H CA 2.196 58.167 56.048 -0.128 0.000 1.319 340 H CB -0.808 28.830 29.762 -0.207 0.000 1.379 340 H HN 0.495 nan 8.280 nan 0.000 0.501 341 Y N 0.335 120.659 120.300 0.040 0.000 2.181 341 Y HA -0.100 4.450 4.550 -0.001 0.000 0.288 341 Y C 2.864 178.722 175.900 -0.070 0.000 1.146 341 Y CA 0.257 58.336 58.100 -0.034 0.000 1.164 341 Y CB -1.002 37.417 38.460 -0.067 0.000 0.982 341 Y HN 0.115 nan 8.280 nan 0.000 0.515 342 I N -0.305 120.287 120.570 0.037 0.000 2.179 342 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 342 I C 2.470 178.609 176.117 0.036 0.000 1.088 342 I CA 1.857 63.151 61.300 -0.010 0.000 1.357 342 I CB -0.510 37.428 38.000 -0.102 0.000 1.051 342 I HN 0.232 nan 8.210 nan 0.000 0.409 343 S N 0.527 116.262 115.700 0.058 0.000 2.436 343 S HA -0.175 4.294 4.470 -0.000 0.000 0.228 343 S C 1.752 176.367 174.600 0.025 0.000 1.014 343 S CA 0.919 59.156 58.200 0.061 0.000 0.950 343 S CB -0.462 62.791 63.200 0.088 0.000 0.784 343 S HN 0.677 nan 8.310 nan 0.000 0.504 344 E N 1.461 121.673 120.200 0.020 0.000 2.435 344 E HA 0.216 4.566 4.350 -0.000 0.000 0.195 344 E C 1.126 177.630 176.600 -0.159 0.000 1.029 344 E CA 0.344 56.724 56.400 -0.034 0.000 0.865 344 E CB -0.341 29.360 29.700 0.002 0.000 0.833 344 E HN 0.530 nan 8.360 nan 0.000 0.510 345 G N 0.073 108.776 108.800 -0.161 0.000 2.525 345 G HA2 0.090 4.050 3.960 -0.000 0.000 0.287 345 G HA3 0.090 4.050 3.960 -0.000 0.000 0.287 345 G C 0.133 174.811 174.900 -0.370 0.000 1.350 345 G CA -0.478 44.429 45.100 -0.322 0.000 1.039 345 G HN 0.233 nan 8.290 nan 0.000 0.513 346 H N -0.487 118.606 119.070 0.040 0.000 2.549 346 H HA 0.365 4.920 4.556 -0.001 0.000 0.279 346 H C 1.465 176.824 175.328 0.052 0.000 1.018 346 H CA 0.091 56.164 56.048 0.042 0.000 1.175 346 H CB -0.154 29.626 29.762 0.030 0.000 1.485 346 H HN 0.477 nan 8.280 nan 0.000 0.543 347 A N 1.305 124.195 122.820 0.117 0.000 2.483 347 A HA 0.141 4.461 4.320 -0.000 0.000 0.238 347 A C 0.504 178.163 177.584 0.125 0.000 1.070 347 A CA -0.074 52.033 52.037 0.116 0.000 0.770 347 A CB 0.052 19.116 19.000 0.106 0.000 1.008 347 A HN 0.188 nan 8.150 nan 0.000 0.497 348 T N 2.735 117.368 114.554 0.132 0.000 2.754 348 T HA 0.329 4.678 4.350 -0.000 0.000 0.282 348 T C 0.553 175.356 174.700 0.172 0.000 0.923 348 T CA 0.680 62.875 62.100 0.159 0.000 1.164 348 T CB -0.583 68.384 68.868 0.165 0.000 0.873 348 T HN 0.786 nan 8.240 nan 0.000 0.537 349 S N 2.745 118.538 115.700 0.155 0.000 2.442 349 S HA 0.615 5.084 4.470 -0.000 0.000 0.297 349 S C -0.328 174.360 174.600 0.147 0.000 1.131 349 S CA -0.909 57.387 58.200 0.159 0.000 1.092 349 S CB 1.194 64.470 63.200 0.126 0.000 0.998 349 S HN 0.375 nan 8.310 nan 0.000 0.478 350 V N 3.798 123.842 119.914 0.217 0.000 2.407 350 V HA 0.405 4.525 4.120 -0.000 0.000 0.291 350 V C -0.302 175.888 176.094 0.159 0.000 1.018 350 V CA -0.753 61.682 62.300 0.225 0.000 0.842 350 V CB 1.485 33.553 31.823 0.407 0.000 0.996 350 V HN 0.837 nan 8.190 nan 0.000 0.426 351 V N 3.943 123.860 119.914 0.005 0.000 2.439 351 V HA 0.802 4.922 4.120 -0.000 0.000 0.282 351 V C 0.789 176.788 176.094 -0.158 0.000 1.039 351 V CA -0.081 62.127 62.300 -0.154 0.000 0.913 351 V CB 1.677 33.365 31.823 -0.225 0.000 0.983 351 V HN 0.954 nan 8.190 nan 0.000 0.460 352 G N 2.058 110.696 108.800 -0.271 0.000 2.453 352 G HA2 0.722 4.682 3.960 -0.000 0.000 0.323 352 G HA3 0.722 4.682 3.960 -0.000 0.000 0.323 352 G C -0.095 174.653 174.900 -0.253 0.000 1.198 352 G CA -0.269 44.758 45.100 -0.121 0.000 0.959 352 G HN 1.472 nan 8.290 nan 0.000 0.482 353 G N -0.960 107.759 108.800 -0.135 0.000 2.785 353 G HA2 0.331 4.290 3.960 -0.000 0.000 0.686 353 G HA3 0.331 4.290 3.960 -0.000 0.000 0.686 353 G C 1.012 175.808 174.900 -0.173 0.000 1.155 353 G CA -0.002 45.010 45.100 -0.147 0.000 0.760 353 G HN 1.642 nan 8.290 nan 0.000 0.624 354 G N 0.866 109.604 108.800 -0.102 0.000 2.418 354 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.217 354 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.217 354 G C 1.477 176.304 174.900 -0.121 0.000 1.158 354 G CA 1.953 47.002 45.100 -0.086 0.000 0.771 354 G HN 1.196 nan 8.290 nan 0.000 0.545 355 D N 0.554 120.880 120.400 -0.123 0.000 2.144 355 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 355 D C 2.227 178.242 176.300 -0.475 0.000 0.978 355 D CA 1.635 55.540 54.000 -0.159 0.000 0.833 355 D CB -1.210 39.582 40.800 -0.013 0.000 0.961 355 D HN 0.299 nan 8.370 nan 0.000 0.470 356 T N 0.473 114.721 114.554 -0.511 0.000 2.737 356 T HA 0.006 4.355 4.350 -0.000 0.000 0.265 356 T C 2.206 176.525 174.700 -0.634 0.000 1.038 356 T CA 1.662 63.293 62.100 -0.783 0.000 1.144 356 T CB -0.556 67.717 68.868 -0.992 0.000 0.866 356 T HN 0.364 nan 8.240 nan 0.000 0.434 357 A N 1.904 124.470 122.820 -0.423 0.000 1.933 357 A HA -0.175 4.144 4.320 -0.000 0.000 0.218 357 A C 2.211 179.653 177.584 -0.236 0.000 1.175 357 A CA 1.843 53.705 52.037 -0.293 0.000 0.628 357 A CB -0.765 18.109 19.000 -0.210 0.000 0.814 357 A HN 0.442 nan 8.150 nan 0.000 0.444 358 D N -0.114 120.148 120.400 -0.231 0.000 2.097 358 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 358 D C 1.969 178.142 176.300 -0.211 0.000 0.989 358 D CA 1.610 55.524 54.000 -0.143 0.000 0.827 358 D CB -0.255 40.533 40.800 -0.019 0.000 0.966 358 D HN 0.160 nan 8.370 nan 0.000 0.456 359 V N 0.306 119.931 119.914 -0.482 0.000 2.287 359 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 359 V C 2.820 178.798 176.094 -0.194 0.000 1.053 359 V CA 1.423 63.469 62.300 -0.423 0.000 1.027 359 V CB -0.451 31.012 31.823 -0.599 0.000 0.646 359 V HN 0.110 nan 8.190 nan 0.000 0.447 360 V N 0.278 120.065 119.914 -0.213 0.000 2.392 360 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 360 V C 2.668 178.732 176.094 -0.050 0.000 1.059 360 V CA 2.041 64.286 62.300 -0.091 0.000 1.051 360 V CB -1.207 30.551 31.823 -0.108 0.000 0.658 360 V HN 0.574 nan 8.190 nan 0.000 0.455 361 A N 0.079 122.858 122.820 -0.069 0.000 1.877 361 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 361 A C 2.373 179.957 177.584 -0.001 0.000 1.186 361 A CA 1.851 53.869 52.037 -0.031 0.000 0.620 361 A CB -0.492 18.488 19.000 -0.033 0.000 0.822 361 A HN 0.509 nan 8.150 nan 0.000 0.443 362 R N -0.481 120.019 120.500 0.001 0.000 2.120 362 R HA -0.059 4.281 4.340 -0.000 0.000 0.234 362 R C 2.283 178.604 176.300 0.036 0.000 1.123 362 R CA 1.150 57.270 56.100 0.033 0.000 0.975 362 R CB -0.419 29.922 30.300 0.069 0.000 0.866 362 R HN 0.505 nan 8.270 nan 0.000 0.446 363 A N 0.071 122.902 122.820 0.019 0.000 2.119 363 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 363 A C 1.535 179.216 177.584 0.162 0.000 1.153 363 A CA 1.047 53.121 52.037 0.062 0.000 0.692 363 A CB -0.312 18.657 19.000 -0.052 0.000 0.799 363 A HN 0.466 nan 8.150 nan 0.000 0.458 364 G N -1.029 107.823 108.800 0.086 0.000 2.149 364 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.235 364 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.235 364 G C 0.054 174.994 174.900 0.067 0.000 1.018 364 G CA 0.476 45.617 45.100 0.068 0.000 0.728 364 G HN 0.425 nan 8.290 nan 0.000 0.508 365 D N -0.586 119.857 120.400 0.072 0.000 2.469 365 D HA 0.419 5.058 4.640 -0.000 0.000 0.213 365 D C 2.197 178.518 176.300 0.036 0.000 1.135 365 D CA 0.661 54.707 54.000 0.076 0.000 0.834 365 D CB 0.131 41.011 40.800 0.133 0.000 1.009 365 D HN 0.512 nan 8.370 nan 0.000 0.507 366 A N 0.851 123.676 122.820 0.008 0.000 1.940 366 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 366 A C 1.637 179.210 177.584 -0.018 0.000 1.176 366 A CA 1.299 53.323 52.037 -0.023 0.000 0.631 366 A CB -0.113 18.863 19.000 -0.040 0.000 0.814 366 A HN 0.039 nan 8.150 nan 0.000 0.446 367 D N -0.259 120.140 120.400 -0.002 0.000 2.349 367 D HA 0.036 4.676 4.640 -0.000 0.000 0.224 367 D C 0.347 176.656 176.300 0.017 0.000 1.029 367 D CA 0.344 54.346 54.000 0.004 0.000 0.879 367 D CB 0.208 41.011 40.800 0.006 0.000 0.906 367 D HN 0.428 nan 8.370 nan 0.000 0.528 371 F N 1.530 121.275 119.950 -0.342 0.000 2.622 371 F HA 0.686 5.212 4.527 -0.000 0.000 0.318 371 F C -2.302 173.331 175.800 -0.279 0.000 1.135 371 F CA -1.318 56.385 58.000 -0.495 0.000 1.015 371 F CB 1.287 39.520 39.000 -1.278 0.000 1.275 371 F HN 0.053 nan 8.300 nan 0.000 0.457 372 I N 4.846 124.892 120.570 -0.874 0.000 2.359 372 I HA 0.257 4.426 4.170 -0.000 0.000 0.284 372 I C 0.041 175.609 176.117 -0.914 0.000 1.018 372 I CA -0.578 60.339 61.300 -0.638 0.000 1.173 372 I CB 1.446 39.215 38.000 -0.386 0.000 1.326 372 I HN 0.558 nan 8.210 nan 0.000 0.462 373 S N 4.261 119.613 115.700 -0.581 0.000 2.580 373 S HA 0.157 4.627 4.470 -0.000 0.000 0.274 373 S C 0.408 174.932 174.600 -0.127 0.000 1.329 373 S CA -0.163 57.867 58.200 -0.283 0.000 1.036 373 S CB 0.950 64.243 63.200 0.155 0.000 0.919 373 S HN 0.637 nan 8.310 nan 0.000 0.515 374 T N 3.119 117.677 114.554 0.007 0.000 2.939 374 T HA 0.373 4.723 4.350 -0.000 0.000 0.319 374 T C 0.685 175.417 174.700 0.053 0.000 1.082 374 T CA 0.466 62.595 62.100 0.048 0.000 1.133 374 T CB -0.253 68.702 68.868 0.146 0.000 1.019 374 T HN 0.809 nan 8.240 nan 0.000 0.548 378 A N 1.176 123.473 122.820 -0.872 0.000 2.066 378 A HA 0.269 4.589 4.320 -0.000 0.000 0.218 378 A C 2.460 179.852 177.584 -0.320 0.000 1.157 378 A CA 2.481 53.991 52.037 -0.879 0.000 0.670 378 A CB -0.519 17.814 19.000 -1.111 0.000 0.804 378 A HN 0.660 nan 8.150 nan 0.000 0.453 379 S N 0.453 116.155 115.700 0.004 0.000 2.348 379 S HA -0.108 4.362 4.470 -0.000 0.000 0.221 379 S C 1.827 176.538 174.600 0.185 0.000 1.033 379 S CA 1.280 59.691 58.200 0.352 0.000 1.010 379 S CB -0.613 62.822 63.200 0.391 0.000 0.891 379 S HN 0.497 nan 8.310 nan 0.000 0.442 380 L N 1.324 122.625 121.223 0.130 0.000 2.043 380 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 380 L C 2.707 179.599 176.870 0.037 0.000 1.075 380 L CA 1.600 56.507 54.840 0.113 0.000 0.752 380 L CB -0.511 41.617 42.059 0.115 0.000 0.891 380 L HN 0.441 nan 8.230 nan 0.000 0.432 381 E N -0.715 119.477 120.200 -0.013 0.000 2.158 381 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 381 E C 2.017 178.621 176.600 0.006 0.000 0.982 381 E CA 0.498 56.890 56.400 -0.013 0.000 0.823 381 E CB 0.106 29.785 29.700 -0.037 0.000 0.766 381 E HN 0.246 nan 8.360 nan 0.000 0.468 382 L N 0.979 122.225 121.223 0.038 0.000 2.044 382 L HA -0.100 4.239 4.340 -0.000 0.000 0.205 382 L C 1.999 178.881 176.870 0.021 0.000 1.075 382 L CA 1.376 56.259 54.840 0.073 0.000 0.747 382 L CB -0.231 41.951 42.059 0.206 0.000 0.903 382 L HN 0.083 nan 8.230 nan 0.000 0.435 383 I N -0.350 120.214 120.570 -0.009 0.000 2.264 383 I HA -0.317 3.852 4.170 -0.000 0.000 0.248 383 I C 2.023 178.090 176.117 -0.083 0.000 1.111 383 I CA 1.312 62.547 61.300 -0.108 0.000 1.382 383 I CB -0.389 37.455 38.000 -0.261 0.000 1.060 383 I HN 0.339 nan 8.210 nan 0.000 0.418 384 E N 0.522 120.698 120.200 -0.039 0.000 2.510 384 E HA -0.098 4.252 4.350 -0.000 0.000 0.202 384 E C 1.660 178.252 176.600 -0.013 0.000 1.072 384 E CA 0.607 56.996 56.400 -0.018 0.000 0.883 384 E CB -0.129 29.573 29.700 0.004 0.000 0.818 384 E HN 0.664 nan 8.360 nan 0.000 0.548 385 G N 1.426 110.218 108.800 -0.014 0.000 2.199 385 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.254 385 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.254 385 G C 0.199 175.099 174.900 0.001 0.000 0.982 385 G CA 0.314 45.408 45.100 -0.010 0.000 0.632 385 G HN 0.212 nan 8.290 nan 0.000 0.529 386 K N 0.766 121.170 120.400 0.007 0.000 2.219 386 K HA 0.460 4.780 4.320 -0.000 0.000 0.258 386 K C 0.419 177.029 176.600 0.017 0.000 1.008 386 K CA -0.138 56.156 56.287 0.011 0.000 0.928 386 K CB 0.805 33.313 32.500 0.014 0.000 0.983 386 K HN 0.329 nan 8.250 nan 0.000 0.484 387 E N 2.357 122.566 120.200 0.015 0.000 2.216 387 E HA 0.164 4.514 4.350 -0.000 0.000 0.279 387 E C -0.936 175.675 176.600 0.019 0.000 0.997 387 E CA -0.538 55.874 56.400 0.021 0.000 0.817 387 E CB 0.726 30.436 29.700 0.016 0.000 1.096 387 E HN 0.340 nan 8.360 nan 0.000 0.393 388 L N 6.646 127.885 121.223 0.027 0.000 2.265 388 L HA 0.255 4.595 4.340 -0.000 0.000 0.288 388 L C -1.570 175.307 176.870 0.011 0.000 1.058 388 L CA -1.831 53.017 54.840 0.014 0.000 0.809 388 L CB 1.105 43.165 42.059 0.003 0.000 1.179 388 L HN 0.468 nan 8.230 nan 0.000 0.429 389 P HA -0.120 nan 4.420 nan 0.000 0.217 389 P C 1.489 178.793 177.300 0.007 0.000 1.150 389 P CA 1.152 64.248 63.100 -0.007 0.000 0.832 389 P CB 0.278 31.962 31.700 -0.027 0.000 0.787 390 G N 0.239 109.041 108.800 0.003 0.000 2.442 390 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 390 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 390 G C 1.651 176.593 174.900 0.071 0.000 1.141 390 G CA 0.877 46.001 45.100 0.039 0.000 0.763 390 G HN 0.203 nan 8.290 nan 0.000 0.554 391 V N 0.450 120.405 119.914 0.068 0.000 2.346 391 V HA -0.035 4.085 4.120 -0.000 0.000 0.244 391 V C 2.575 178.705 176.094 0.059 0.000 1.037 391 V CA 1.946 64.296 62.300 0.083 0.000 1.029 391 V CB -0.378 31.508 31.823 0.105 0.000 0.663 391 V HN 0.392 nan 8.190 nan 0.000 0.454 392 K N 0.705 121.130 120.400 0.042 0.000 2.127 392 K HA -0.238 4.081 4.320 -0.000 0.000 0.208 392 K C 1.950 178.569 176.600 0.031 0.000 1.047 392 K CA 1.811 58.115 56.287 0.030 0.000 0.927 392 K CB -0.326 32.184 32.500 0.018 0.000 0.716 392 K HN 0.465 nan 8.250 nan 0.000 0.450 393 A N 0.197 123.040 122.820 0.038 0.000 2.209 393 A HA 0.026 4.346 4.320 -0.000 0.000 0.212 393 A C 1.483 179.103 177.584 0.060 0.000 1.158 393 A CA 0.714 52.774 52.037 0.039 0.000 0.742 393 A CB -0.096 18.925 19.000 0.035 0.000 0.790 393 A HN 0.313 nan 8.150 nan 0.000 0.472 394 L N -0.566 120.697 121.223 0.067 0.000 2.857 394 L HA 0.201 4.541 4.340 -0.000 0.000 0.249 394 L C 0.333 177.230 176.870 0.045 0.000 1.172 394 L CA -0.347 54.535 54.840 0.071 0.000 0.980 394 L CB 0.057 42.164 42.059 0.080 0.000 1.299 394 L HN 0.230 nan 8.230 nan 0.000 0.535 395 R N 0.386 120.908 120.500 0.035 0.000 2.459 395 R HA 0.360 4.700 4.340 -0.000 0.000 0.281 395 R C 0.479 176.793 176.300 0.023 0.000 1.050 395 R CA -0.266 55.848 56.100 0.024 0.000 1.055 395 R CB 1.221 31.532 30.300 0.018 0.000 1.045 395 R HN 0.063 nan 8.270 nan 0.000 0.495 396 S N 0.000 115.711 115.700 0.019 0.000 2.498 396 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 396 S CA 0.000 58.211 58.200 0.019 0.000 1.107 396 S CB 0.000 63.210 63.200 0.016 0.000 0.593 396 S HN 0.000 nan 8.310 nan 0.000 0.517