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 3ib3_1_A DATA FIRST_RESID 4 DATA SEQUENCE HLLGNPKLTV THVNEVKAGI NHIVVDSVQY GNQEXIXEKD GTVEXRDGEK DATA SEQUENCE LYINIFRPNK DGKFPVVXSA DTYGKDNKXX XXXXGALWPT LGTIPTSSFT DATA SEQUENCE PEESPDPGFW VPNDYVVVKV ALRGSDKSKG VLSPWSKREA EDYYEVIEWA DATA SEQUENCE ANQSWSNGNI GTNGVSYLAV TQWWVASLNP PHLKAXIPWE GLNDXYREVA DATA SEQUENCE FHGGIPDTGF YRFWTQGIFA RWTDNPNIED LIQAQQEHPL FDDFWKQRQV DATA SEQUENCE PLSQIKTPLL TCASWSTQGL HNRGSFEGFK QAASEEKWLY VHGRKEWESY DATA SEQUENCE YARENLERQK SFFDFYLKEE NNDWKDTPHV IYEVRDQFYK GEFKSASAFP DATA SEQUENCE LPNAEYTPLY LNAENHTLNH AKISSAHVAQ YDSEDKQQDV SFKYTFDKDT DATA SEQUENCE ELVGNXNLKL WVSTKDSDDX DLFAGIKKLD RRGNEVNFPD FNHIENGQVA DATA SEQUENCE TGWLRVSHRE LDQEKSSIAQ PWHKHETELK LSQDEIVPVE IELLPSGTLF DATA SEQUENCE KQGETLEVVV KGSEIVIGNS TPGXKTRYEH EETVNKGXHX IYTGGKYDSQ DATA SEQUENCE LIIPIV 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 H HA 0.000 nan 4.556 nan 0.000 0.296 4 H C 0.000 175.289 175.328 -0.066 0.000 0.993 4 H CA 0.000 56.023 56.048 -0.043 0.000 1.023 4 H CB 0.000 29.731 29.762 -0.052 0.000 1.292 5 L N 2.171 123.444 121.223 0.082 0.000 2.592 5 L HA 0.177 4.519 4.340 0.003 0.000 0.227 5 L C 1.070 178.014 176.870 0.123 0.000 1.127 5 L CA 0.216 55.046 54.840 -0.016 0.000 0.884 5 L CB 0.258 42.243 42.059 -0.123 0.000 1.065 5 L HN 0.272 nan 8.230 nan 0.000 0.457 6 L N -0.383 120.893 121.223 0.088 0.000 2.418 6 L HA 0.180 4.522 4.340 0.003 0.000 0.218 6 L C 1.365 178.279 176.870 0.073 0.000 1.125 6 L CA 0.375 55.263 54.840 0.080 0.000 0.835 6 L CB -0.659 41.423 42.059 0.038 0.000 0.953 6 L HN 0.409 nan 8.230 nan 0.000 0.454 7 G N 0.804 109.645 108.800 0.067 0.000 2.750 7 G HA2 -0.296 3.666 3.960 0.003 0.000 0.228 7 G HA3 -0.296 3.666 3.960 0.003 0.000 0.228 7 G C -0.381 174.543 174.900 0.040 0.000 1.367 7 G CA -0.407 44.727 45.100 0.058 0.000 0.871 7 G HN 0.231 nan 8.290 nan 0.000 0.560 8 N N 1.475 120.196 118.700 0.036 0.000 2.626 8 N HA 0.468 5.209 4.740 0.003 0.000 0.242 8 N C -0.892 174.634 175.510 0.027 0.000 1.005 8 N CA -1.728 51.338 53.050 0.027 0.000 0.905 8 N CB 1.876 40.377 38.487 0.024 0.000 1.128 8 N HN 0.238 nan 8.380 nan 0.000 0.512 9 P HA -0.129 nan 4.420 nan 0.000 0.225 9 P C 1.089 178.401 177.300 0.020 0.000 1.148 9 P CA 0.740 63.853 63.100 0.022 0.000 0.779 9 P CB 0.721 32.431 31.700 0.017 0.000 0.780 10 K N 0.072 120.482 120.400 0.018 0.000 2.097 10 K HA -0.055 4.266 4.320 0.003 0.000 0.206 10 K C 0.943 177.555 176.600 0.020 0.000 1.049 10 K CA 0.556 56.852 56.287 0.016 0.000 0.933 10 K CB -0.351 32.156 32.500 0.012 0.000 0.717 10 K HN 0.171 nan 8.250 nan 0.000 0.442 11 L N 1.946 123.184 121.223 0.024 0.000 2.417 11 L HA 0.092 4.433 4.340 0.003 0.000 0.268 11 L C 0.587 177.480 176.870 0.038 0.000 1.158 11 L CA -0.585 54.273 54.840 0.030 0.000 0.819 11 L CB 1.118 43.196 42.059 0.032 0.000 1.112 11 L HN 0.181 nan 8.230 nan 0.000 0.458 12 T N -0.329 114.251 114.554 0.044 0.000 2.909 12 T HA 0.468 4.819 4.350 0.003 0.000 0.286 12 T C -0.022 174.723 174.700 0.075 0.000 1.002 12 T CA -0.786 61.347 62.100 0.055 0.000 1.074 12 T CB 1.482 70.382 68.868 0.053 0.000 0.984 12 T HN 0.213 nan 8.240 nan 0.000 0.495 13 V N 3.420 123.387 119.914 0.089 0.000 2.715 13 V HA 0.221 4.342 4.120 0.003 0.000 0.299 13 V C 1.073 177.265 176.094 0.162 0.000 1.054 13 V CA -0.232 62.142 62.300 0.123 0.000 1.077 13 V CB 1.123 33.019 31.823 0.121 0.000 0.972 13 V HN 1.142 nan 8.190 nan 0.000 0.484 14 T N 4.767 119.454 114.554 0.222 0.000 2.869 14 T HA 0.177 4.529 4.350 0.003 0.000 0.295 14 T C -0.127 174.766 174.700 0.322 0.000 0.987 14 T CA -0.038 62.229 62.100 0.279 0.000 1.109 14 T CB 0.087 69.147 68.868 0.321 0.000 0.932 14 T HN 0.685 nan 8.240 nan 0.000 0.518 15 H N 2.440 121.599 119.070 0.148 0.000 2.487 15 H HA 0.241 4.799 4.556 0.003 0.000 0.333 15 H C 0.870 176.211 175.328 0.021 0.000 1.114 15 H CA -0.562 55.512 56.048 0.043 0.000 1.310 15 H CB 1.201 30.973 29.762 0.017 0.000 1.462 15 H HN 0.352 nan 8.280 nan 0.000 0.516 16 V N 4.141 123.837 119.914 -0.363 0.000 2.594 16 V HA -0.254 3.868 4.120 0.003 0.000 0.253 16 V C 1.273 177.397 176.094 0.050 0.000 1.069 16 V CA 1.816 63.955 62.300 -0.268 0.000 1.082 16 V CB -0.419 31.058 31.823 -0.577 0.000 0.680 16 V HN 0.672 nan 8.190 nan 0.000 0.469 17 N N -0.167 118.670 118.700 0.228 0.000 2.449 17 N HA -0.013 4.729 4.740 0.003 0.000 0.191 17 N C 1.468 177.064 175.510 0.145 0.000 1.161 17 N CA 0.217 53.371 53.050 0.173 0.000 0.863 17 N CB -0.056 38.519 38.487 0.145 0.000 0.980 17 N HN 0.536 nan 8.380 nan 0.000 0.458 18 E N -0.172 120.138 120.200 0.183 0.000 2.285 18 E HA -0.024 4.328 4.350 0.003 0.000 0.194 18 E C 0.068 176.743 176.600 0.125 0.000 0.997 18 E CA 0.167 56.648 56.400 0.134 0.000 0.845 18 E CB 0.371 30.162 29.700 0.151 0.000 0.782 18 E HN 0.227 nan 8.360 nan 0.000 0.491 19 V N 0.019 120.021 119.914 0.147 0.000 2.509 19 V HA 0.366 4.488 4.120 0.003 0.000 0.284 19 V C -0.166 175.980 176.094 0.088 0.000 1.047 19 V CA -0.860 61.518 62.300 0.131 0.000 0.952 19 V CB 1.363 33.299 31.823 0.189 0.000 0.988 19 V HN -0.131 nan 8.190 nan 0.000 0.469 20 K N 2.725 123.164 120.400 0.064 0.000 2.295 20 K HA 0.773 5.095 4.320 0.003 0.000 0.239 20 K C 0.125 176.745 176.600 0.033 0.000 0.991 20 K CA -0.457 55.857 56.287 0.045 0.000 0.845 20 K CB 1.911 34.435 32.500 0.041 0.000 1.197 20 K HN 1.099 nan 8.250 nan 0.000 0.441 21 A N 0.621 123.458 122.820 0.028 0.000 2.603 21 A HA 0.350 4.671 4.320 0.003 0.000 0.235 21 A C 0.999 178.596 177.584 0.021 0.000 1.035 21 A CA 1.659 53.712 52.037 0.026 0.000 0.755 21 A CB -1.055 17.963 19.000 0.031 0.000 0.954 21 A HN 0.950 nan 8.150 nan 0.000 0.511 22 G N 0.749 109.558 108.800 0.015 0.000 2.466 22 G HA2 -0.057 3.905 3.960 0.003 0.000 0.218 22 G HA3 -0.057 3.905 3.960 0.003 0.000 0.218 22 G C -0.247 174.642 174.900 -0.019 0.000 1.237 22 G CA -0.304 44.801 45.100 0.009 0.000 0.954 22 G HN 1.119 nan 8.290 nan 0.000 0.580 23 I N 2.923 123.481 120.570 -0.019 0.000 2.396 23 I HA 0.272 4.443 4.170 0.003 0.000 0.289 23 I C 0.225 176.305 176.117 -0.062 0.000 1.056 23 I CA -0.162 61.100 61.300 -0.063 0.000 1.365 23 I CB 0.274 38.239 38.000 -0.057 0.000 1.407 23 I HN 0.427 nan 8.210 nan 0.000 0.509 24 N N 5.622 124.257 118.700 -0.109 0.000 2.319 24 N HA 0.366 5.107 4.740 0.003 0.000 0.305 24 N C -0.879 174.535 175.510 -0.160 0.000 1.103 24 N CA -0.679 52.332 53.050 -0.065 0.000 0.815 24 N CB 1.844 40.321 38.487 -0.018 0.000 1.288 24 N HN 0.495 nan 8.380 nan 0.000 0.493 25 H N 1.033 120.098 119.070 -0.009 0.000 2.519 25 H HA 0.441 4.999 4.556 0.003 0.000 0.316 25 H C -0.123 175.199 175.328 -0.010 0.000 1.065 25 H CA -0.519 55.520 56.048 -0.014 0.000 1.264 25 H CB 1.006 30.767 29.762 -0.001 0.000 1.413 25 H HN 0.446 nan 8.280 nan 0.000 0.465 26 I N 0.069 120.677 120.570 0.064 0.000 2.785 26 I HA 0.594 4.766 4.170 0.003 0.000 0.302 26 I C -1.230 174.886 176.117 -0.002 0.000 1.069 26 I CA -1.281 60.026 61.300 0.012 0.000 1.045 26 I CB 2.248 40.171 38.000 -0.129 0.000 1.236 26 I HN 0.209 nan 8.210 nan 0.000 0.429 27 V N 5.679 125.611 119.914 0.030 0.000 2.311 27 V HA 0.278 4.400 4.120 0.003 0.000 0.275 27 V C 0.256 176.377 176.094 0.044 0.000 1.022 27 V CA -0.545 61.776 62.300 0.034 0.000 0.830 27 V CB 1.133 32.993 31.823 0.063 0.000 1.012 27 V HN 0.543 nan 8.190 nan 0.000 0.452 28 V N 5.025 124.931 119.914 -0.013 0.000 2.498 28 V HA 0.181 4.303 4.120 0.003 0.000 0.279 28 V C 0.557 176.713 176.094 0.103 0.000 1.048 28 V CA -0.696 61.622 62.300 0.031 0.000 0.967 28 V CB 1.639 33.412 31.823 -0.083 0.000 0.988 28 V HN 1.002 nan 8.190 nan 0.000 0.473 29 D N 3.099 123.595 120.400 0.160 0.000 2.600 29 D HA -0.021 4.621 4.640 0.003 0.000 0.226 29 D C 0.501 176.841 176.300 0.067 0.000 1.119 29 D CA 0.049 54.108 54.000 0.097 0.000 1.051 29 D CB 0.390 41.237 40.800 0.078 0.000 1.106 29 D HN 0.352 nan 8.370 nan 0.000 0.491 30 S N 1.039 116.779 115.700 0.067 0.000 2.516 30 S HA 0.042 4.514 4.470 0.003 0.000 0.282 30 S C 1.472 176.069 174.600 -0.004 0.000 1.286 30 S CA -0.763 57.471 58.200 0.055 0.000 1.066 30 S CB 0.913 64.189 63.200 0.126 0.000 0.884 30 S HN 0.243 nan 8.310 nan 0.000 0.491 31 V N 5.222 125.102 119.914 -0.056 0.000 2.392 31 V HA -0.169 3.953 4.120 0.003 0.000 0.249 31 V C 2.121 178.118 176.094 -0.162 0.000 1.059 31 V CA 2.030 64.265 62.300 -0.109 0.000 1.051 31 V CB -0.669 31.064 31.823 -0.150 0.000 0.658 31 V HN 0.831 nan 8.190 nan 0.000 0.455 32 Q N -2.337 117.301 119.800 -0.270 0.000 2.394 32 Q HA 0.121 4.463 4.340 0.003 0.000 0.218 32 Q C 1.158 176.915 176.000 -0.405 0.000 0.907 32 Q CA 0.799 56.297 55.803 -0.507 0.000 0.919 32 Q CB 0.190 28.334 28.738 -0.991 0.000 1.051 32 Q HN 0.742 nan 8.270 nan 0.000 0.538 33 Y N -0.840 119.473 120.300 0.021 0.000 2.588 33 Y HA 0.506 5.057 4.550 0.003 0.000 0.247 33 Y C 1.030 176.936 175.900 0.010 0.000 1.157 33 Y CA -0.088 58.019 58.100 0.013 0.000 1.215 33 Y CB 0.678 39.140 38.460 0.003 0.000 1.245 33 Y HN 0.113 nan 8.280 nan 0.000 0.534 34 G N 1.074 109.944 108.800 0.116 0.000 2.553 34 G HA2 -0.291 3.671 3.960 0.003 0.000 0.242 34 G HA3 -0.291 3.671 3.960 0.003 0.000 0.242 34 G C -0.480 174.467 174.900 0.079 0.000 1.277 34 G CA -0.592 44.555 45.100 0.078 0.000 0.910 34 G HN 0.190 nan 8.290 nan 0.000 0.576 35 N N 2.103 120.841 118.700 0.064 0.000 2.415 35 N HA 0.363 5.105 4.740 0.003 0.000 0.250 35 N C -0.148 175.394 175.510 0.053 0.000 1.127 35 N CA 0.237 53.322 53.050 0.058 0.000 0.945 35 N CB 0.992 39.508 38.487 0.049 0.000 1.196 35 N HN 0.445 nan 8.380 nan 0.000 0.499 36 Q N 1.481 121.311 119.800 0.050 0.000 2.333 36 Q HA 0.284 4.626 4.340 0.003 0.000 0.265 36 Q C 0.178 176.185 176.000 0.011 0.000 0.989 36 Q CA -0.335 55.487 55.803 0.032 0.000 0.842 36 Q CB 1.987 30.747 28.738 0.038 0.000 1.262 36 Q HN 0.493 nan 8.270 nan 0.000 0.451 42 K N 2.696 123.027 120.400 -0.114 0.000 2.211 42 K HA 0.225 4.547 4.320 0.003 0.000 0.275 42 K C -0.770 175.831 176.600 0.001 0.000 1.024 42 K CA -0.188 56.060 56.287 -0.065 0.000 0.887 42 K CB 0.610 33.093 32.500 -0.028 0.000 1.084 42 K HN 0.442 nan 8.250 nan 0.000 0.463 43 D N 2.160 122.582 120.400 0.037 0.000 2.739 43 D HA -0.115 4.527 4.640 0.003 0.000 0.240 43 D C -0.021 176.340 176.300 0.102 0.000 1.114 43 D CA 1.168 55.243 54.000 0.124 0.000 0.695 43 D CB -1.189 39.684 40.800 0.122 0.000 1.078 43 D HN 0.829 nan 8.370 nan 0.000 0.434 44 G N 0.016 108.839 108.800 0.037 0.000 2.569 44 G HA2 0.495 4.457 3.960 0.003 0.000 0.249 44 G HA3 0.495 4.457 3.960 0.003 0.000 0.249 44 G C 0.477 175.290 174.900 -0.145 0.000 1.216 44 G CA 0.477 45.570 45.100 -0.011 0.000 0.845 44 G HN 0.299 nan 8.290 nan 0.000 0.568 45 T N -2.496 111.897 114.554 -0.268 0.000 2.900 45 T HA 0.635 4.987 4.350 0.003 0.000 0.295 45 T C -0.919 173.443 174.700 -0.563 0.000 1.044 45 T CA -0.785 61.020 62.100 -0.492 0.000 0.995 45 T CB 2.042 70.585 68.868 -0.541 0.000 1.072 45 T HN 0.541 nan 8.240 nan 0.000 0.473 46 V N 2.022 121.565 119.914 -0.619 0.000 2.577 46 V HA 0.519 4.641 4.120 0.003 0.000 0.303 46 V C 0.176 176.031 176.094 -0.399 0.000 1.042 46 V CA -0.843 61.030 62.300 -0.712 0.000 0.872 46 V CB 1.442 32.749 31.823 -0.860 0.000 0.998 46 V HN 1.091 nan 8.190 nan 0.000 0.423 50 D N -0.038 120.359 120.400 -0.005 0.000 2.349 50 D HA 0.150 4.792 4.640 0.003 0.000 0.215 50 D C 1.211 177.503 176.300 -0.012 0.000 1.016 50 D CA 1.262 55.257 54.000 -0.008 0.000 0.870 50 D CB 0.623 41.417 40.800 -0.010 0.000 0.917 50 D HN 0.427 nan 8.370 nan 0.000 0.524 51 G N -0.035 108.755 108.800 -0.018 0.000 2.231 51 G HA2 -0.261 3.701 3.960 0.003 0.000 0.206 51 G HA3 -0.261 3.701 3.960 0.003 0.000 0.206 51 G C 0.056 174.933 174.900 -0.040 0.000 0.996 51 G CA 0.025 45.110 45.100 -0.025 0.000 0.645 51 G HN 0.488 nan 8.290 nan 0.000 0.498 52 E N 1.811 121.986 120.200 -0.041 0.000 2.415 52 E HA 0.426 4.778 4.350 0.003 0.000 0.263 52 E C 0.364 176.907 176.600 -0.094 0.000 0.995 52 E CA 0.339 56.708 56.400 -0.052 0.000 0.915 52 E CB 0.281 29.955 29.700 -0.043 0.000 0.951 52 E HN 0.366 nan 8.360 nan 0.000 0.449 53 K N 4.209 124.537 120.400 -0.121 0.000 2.211 53 K HA 0.278 4.600 4.320 0.003 0.000 0.275 53 K C -0.791 175.637 176.600 -0.288 0.000 1.024 53 K CA -0.924 55.209 56.287 -0.256 0.000 0.887 53 K CB 0.954 33.247 32.500 -0.345 0.000 1.084 53 K HN 0.337 nan 8.250 nan 0.000 0.463 54 L N 3.393 124.423 121.223 -0.321 0.000 2.325 54 L HA 0.358 4.700 4.340 0.003 0.000 0.279 54 L C -0.610 176.008 176.870 -0.419 0.000 1.054 54 L CA -0.370 54.322 54.840 -0.245 0.000 0.804 54 L CB 0.402 42.360 42.059 -0.167 0.000 1.200 54 L HN 0.428 nan 8.230 nan 0.000 0.436 55 Y N 3.603 123.813 120.300 -0.149 0.000 2.361 55 Y HA 0.697 5.249 4.550 0.003 0.000 0.332 55 Y C 0.374 176.208 175.900 -0.110 0.000 1.101 55 Y CA -0.663 57.360 58.100 -0.128 0.000 1.137 55 Y CB 1.419 39.815 38.460 -0.106 0.000 1.207 55 Y HN 0.440 nan 8.280 nan 0.000 0.463 56 I N -0.656 119.925 120.570 0.019 0.000 3.074 56 I HA 0.664 4.835 4.170 0.003 0.000 0.310 56 I C -1.420 174.706 176.117 0.014 0.000 1.153 56 I CA -1.244 60.060 61.300 0.006 0.000 0.993 56 I CB 2.520 40.492 38.000 -0.046 0.000 1.237 56 I HN 0.372 nan 8.210 nan 0.000 0.443 57 N N 3.265 121.972 118.700 0.013 0.000 2.361 57 N HA 0.673 5.415 4.740 0.003 0.000 0.302 57 N C -1.214 174.205 175.510 -0.151 0.000 1.074 57 N CA -0.338 52.651 53.050 -0.101 0.000 0.850 57 N CB 2.504 40.937 38.487 -0.090 0.000 1.228 57 N HN 0.582 nan 8.380 nan 0.000 0.491 58 I N 1.993 122.364 120.570 -0.332 0.000 2.418 58 I HA 0.376 4.548 4.170 0.003 0.000 0.287 58 I C -0.955 174.854 176.117 -0.514 0.000 1.008 58 I CA -0.569 60.528 61.300 -0.338 0.000 1.104 58 I CB 0.927 38.709 38.000 -0.363 0.000 1.264 58 I HN 0.260 nan 8.210 nan 0.000 0.438 59 F N 6.081 125.911 119.950 -0.200 0.000 2.444 59 F HA 0.679 5.207 4.527 0.002 0.000 0.342 59 F C 0.338 175.992 175.800 -0.243 0.000 1.121 59 F CA -0.605 57.285 58.000 -0.185 0.000 0.997 59 F CB 1.423 40.361 39.000 -0.104 0.000 1.130 59 F HN 0.396 nan 8.300 nan 0.000 0.454 60 R N 1.946 122.386 120.500 -0.100 0.000 2.710 60 R HA 0.648 4.990 4.340 0.003 0.000 0.270 60 R C -3.466 172.722 176.300 -0.187 0.000 1.021 60 R CA -2.308 53.675 56.100 -0.195 0.000 0.889 60 R CB 1.396 31.534 30.300 -0.270 0.000 1.243 60 R HN 0.184 nan 8.270 nan 0.000 0.464 61 P HA 0.038 nan 4.420 nan 0.000 0.269 61 P C -0.783 176.464 177.300 -0.089 0.000 1.209 61 P CA -0.381 62.554 63.100 -0.274 0.000 0.776 61 P CB 0.480 31.830 31.700 -0.582 0.000 0.876 62 N N 2.794 121.481 118.700 -0.022 0.000 3.254 62 N HA 0.062 4.804 4.740 0.003 0.000 0.308 62 N C -0.510 175.049 175.510 0.082 0.000 1.281 62 N CA -0.143 52.943 53.050 0.061 0.000 1.212 62 N CB -0.692 37.866 38.487 0.120 0.000 1.478 62 N HN 0.338 nan 8.380 nan 0.000 0.548 63 K N -1.034 119.438 120.400 0.119 0.000 2.615 63 K HA 0.281 4.603 4.320 0.003 0.000 0.291 63 K C -1.621 175.118 176.600 0.232 0.000 1.017 63 K CA -0.985 55.395 56.287 0.155 0.000 0.882 63 K CB 0.483 33.064 32.500 0.135 0.000 1.522 63 K HN -0.015 nan 8.250 nan 0.000 0.412 64 D N 0.138 120.624 120.400 0.144 0.000 2.372 64 D HA 0.493 5.135 4.640 0.003 0.000 0.243 64 D C 0.608 176.909 176.300 0.000 0.000 1.121 64 D CA 0.642 54.687 54.000 0.075 0.000 0.898 64 D CB 0.860 41.675 40.800 0.024 0.000 1.202 64 D HN 0.947 nan 8.370 nan 0.000 0.428 65 G N 0.179 108.889 108.800 -0.150 0.000 2.357 65 G HA2 0.146 4.108 3.960 0.003 0.000 0.643 65 G HA3 0.146 4.108 3.960 0.003 0.000 0.643 65 G C -1.449 173.064 174.900 -0.645 0.000 1.358 65 G CA -1.154 43.671 45.100 -0.459 0.000 0.986 65 G HN 0.558 nan 8.290 nan 0.000 0.620 66 K N -0.373 119.614 120.400 -0.688 0.000 2.221 66 K HA 0.755 5.076 4.320 0.003 0.000 0.258 66 K C -1.076 175.107 176.600 -0.696 0.000 0.944 66 K CA -0.523 55.460 56.287 -0.506 0.000 0.823 66 K CB 1.464 33.798 32.500 -0.277 0.000 1.113 66 K HN 0.300 nan 8.250 nan 0.000 0.431 67 F N 2.355 122.322 119.950 0.027 0.000 2.561 67 F HA 0.422 4.951 4.527 0.003 0.000 0.321 67 F C -2.043 173.749 175.800 -0.015 0.000 1.065 67 F CA -2.690 55.296 58.000 -0.023 0.000 0.934 67 F CB 1.192 40.195 39.000 0.005 0.000 1.215 67 F HN 0.364 nan 8.300 nan 0.000 0.471 68 P HA 0.138 nan 4.420 nan 0.000 0.269 68 P C -0.918 176.487 177.300 0.174 0.000 1.215 68 P CA -0.057 63.074 63.100 0.052 0.000 0.780 68 P CB 0.981 32.639 31.700 -0.071 0.000 0.898 69 V N 2.942 122.931 119.914 0.126 0.000 2.448 69 V HA 0.311 4.433 4.120 0.003 0.000 0.295 69 V C 0.679 176.757 176.094 -0.026 0.000 1.025 69 V CA -0.595 61.781 62.300 0.127 0.000 0.859 69 V CB 1.893 33.836 31.823 0.200 0.000 0.988 69 V HN 0.300 nan 8.190 nan 0.000 0.431 73 A N 1.356 124.144 122.820 -0.053 0.000 2.488 73 A HA 0.914 5.235 4.320 0.003 0.000 0.298 73 A C -1.010 176.529 177.584 -0.074 0.000 1.044 73 A CA -0.067 51.818 52.037 -0.253 0.000 0.693 73 A CB 1.230 19.688 19.000 -0.903 0.000 1.272 73 A HN 1.529 nan 8.150 nan 0.000 0.402 74 D N -0.766 119.563 120.400 -0.119 0.000 2.838 74 D HA 0.550 5.192 4.640 0.003 0.000 0.334 74 D C 0.132 176.222 176.300 -0.349 0.000 1.315 74 D CA 0.320 54.122 54.000 -0.330 0.000 0.917 74 D CB 0.617 41.075 40.800 -0.570 0.000 1.435 74 D HN 0.475 nan 8.370 nan 0.000 0.517 75 T N -3.796 110.392 114.554 -0.611 0.000 3.200 75 T HA 0.166 4.518 4.350 0.003 0.000 0.284 75 T C 0.083 174.915 174.700 0.219 0.000 1.009 75 T CA -0.262 61.732 62.100 -0.177 0.000 0.907 75 T CB -0.411 68.395 68.868 -0.103 0.000 1.120 75 T HN 0.310 nan 8.240 nan 0.000 0.534 76 Y N 2.599 122.895 120.300 -0.007 0.000 2.519 76 Y HA 0.482 5.034 4.550 0.003 0.000 0.287 76 Y C 1.615 177.642 175.900 0.211 0.000 1.128 76 Y CA -0.333 57.820 58.100 0.089 0.000 1.282 76 Y CB -0.284 38.201 38.460 0.041 0.000 1.027 76 Y HN 0.588 nan 8.280 nan 0.000 0.551 77 G N 0.501 109.587 108.800 0.477 0.000 3.305 77 G HA2 -0.097 3.865 3.960 0.003 0.000 0.649 77 G HA3 -0.097 3.865 3.960 0.003 0.000 0.649 77 G C 0.488 175.544 174.900 0.260 0.000 1.255 77 G CA -0.309 45.061 45.100 0.450 0.000 1.137 77 G HN 0.280 nan 8.290 nan 0.000 0.535 78 K N 0.180 120.706 120.400 0.211 0.000 2.288 78 K HA 0.067 4.389 4.320 0.003 0.000 0.201 78 K C 0.665 177.371 176.600 0.175 0.000 1.048 78 K CA 1.381 57.769 56.287 0.167 0.000 0.956 78 K CB 0.417 32.994 32.500 0.128 0.000 0.746 78 K HN 0.302 nan 8.250 nan 0.000 0.461 79 D N 1.176 121.671 120.400 0.158 0.000 2.368 79 D HA 0.068 4.710 4.640 0.003 0.000 0.218 79 D C -0.453 175.894 176.300 0.078 0.000 1.112 79 D CA -0.101 53.975 54.000 0.127 0.000 0.834 79 D CB 0.106 40.969 40.800 0.105 0.000 0.953 79 D HN 0.211 nan 8.370 nan 0.000 0.505 80 N N 2.490 121.238 118.700 0.080 0.000 2.395 80 N HA -0.006 4.736 4.740 0.003 0.000 0.246 80 N C 0.678 176.176 175.510 -0.021 0.000 1.246 80 N CA 0.555 53.619 53.050 0.024 0.000 0.879 80 N CB 1.191 39.698 38.487 0.032 0.000 1.098 80 N HN 0.277 nan 8.380 nan 0.000 0.444 89 A N 0.772 123.616 122.820 0.039 0.000 1.872 89 A HA 0.362 4.684 4.320 0.003 0.000 0.214 89 A C 2.303 179.922 177.584 0.058 0.000 1.187 89 A CA 1.547 53.607 52.037 0.038 0.000 0.614 89 A CB -0.446 18.567 19.000 0.022 0.000 0.826 89 A HN 0.359 nan 8.150 nan 0.000 0.442 90 L N -3.569 117.700 121.223 0.077 0.000 2.127 90 L HA 0.005 4.346 4.340 0.003 0.000 0.203 90 L C 1.074 178.047 176.870 0.172 0.000 1.080 90 L CA 0.495 55.389 54.840 0.090 0.000 0.768 90 L CB -0.030 42.081 42.059 0.086 0.000 0.924 90 L HN 0.627 nan 8.230 nan 0.000 0.444 91 W N 1.758 123.049 121.300 -0.014 0.000 1.851 91 W HA 0.326 4.987 4.660 0.003 0.000 0.303 91 W C -2.231 174.288 176.519 -0.000 0.000 0.969 91 W CA -2.639 54.700 57.345 -0.010 0.000 1.537 91 W CB 0.439 29.888 29.460 -0.019 0.000 1.682 91 W HN -0.129 nan 8.180 nan 0.000 0.367 92 P HA -0.120 nan 4.420 nan 0.000 0.222 92 P C 1.306 178.661 177.300 0.091 0.000 1.147 92 P CA 1.850 65.025 63.100 0.126 0.000 0.790 92 P CB -0.053 31.710 31.700 0.104 0.000 0.780 93 T N -3.814 110.822 114.554 0.135 0.000 3.129 93 T HA 0.138 4.489 4.350 0.003 0.000 0.251 93 T C 1.761 176.450 174.700 -0.017 0.000 1.117 93 T CA -0.114 62.054 62.100 0.113 0.000 1.034 93 T CB -0.916 68.096 68.868 0.240 0.000 0.968 93 T HN -0.010 nan 8.240 nan 0.000 0.526 94 L N 0.957 121.986 121.223 -0.323 0.000 2.353 94 L HA 0.151 4.492 4.340 0.003 0.000 0.220 94 L C 1.943 178.782 176.870 -0.052 0.000 1.133 94 L CA 1.019 55.593 54.840 -0.443 0.000 0.798 94 L CB -1.517 40.193 42.059 -0.582 0.000 0.922 94 L HN 0.749 nan 8.230 nan 0.000 0.445 95 G N -0.237 108.572 108.800 0.014 0.000 2.593 95 G HA2 -0.258 3.704 3.960 0.003 0.000 0.237 95 G HA3 -0.258 3.704 3.960 0.003 0.000 0.237 95 G C -0.122 174.812 174.900 0.057 0.000 1.312 95 G CA -0.246 44.898 45.100 0.073 0.000 0.896 95 G HN 0.090 nan 8.290 nan 0.000 0.574 96 T N 0.930 115.534 114.554 0.082 0.000 2.743 96 T HA 0.607 4.959 4.350 0.003 0.000 0.292 96 T C 0.224 174.966 174.700 0.070 0.000 0.972 96 T CA 0.065 62.196 62.100 0.052 0.000 0.967 96 T CB 0.496 69.388 68.868 0.039 0.000 0.926 96 T HN 0.605 nan 8.240 nan 0.000 0.459 97 I N 6.613 127.200 120.570 0.028 0.000 2.595 97 I HA 0.283 4.455 4.170 0.003 0.000 0.275 97 I C -2.146 173.905 176.117 -0.110 0.000 1.092 97 I CA -1.921 59.395 61.300 0.026 0.000 1.145 97 I CB 1.501 39.527 38.000 0.044 0.000 1.276 97 I HN 0.363 nan 8.210 nan 0.000 0.497 98 P HA 0.414 nan 4.420 nan 0.000 0.293 98 P C -0.554 176.557 177.300 -0.315 0.000 1.300 98 P CA -0.063 62.930 63.100 -0.179 0.000 0.792 98 P CB 1.576 33.200 31.700 -0.126 0.000 0.925 99 T N -1.133 113.236 114.554 -0.308 0.000 2.843 99 T HA 0.524 4.875 4.350 0.003 0.000 0.302 99 T C 0.187 174.786 174.700 -0.168 0.000 1.232 99 T CA -0.626 61.283 62.100 -0.318 0.000 1.009 99 T CB 0.906 69.500 68.868 -0.458 0.000 1.254 99 T HN 0.416 nan 8.240 nan 0.000 0.504 100 S N 0.771 116.416 115.700 -0.091 0.000 2.634 100 S HA 0.256 4.728 4.470 0.003 0.000 0.254 100 S C 1.194 175.771 174.600 -0.038 0.000 1.299 100 S CA 0.031 58.223 58.200 -0.013 0.000 0.974 100 S CB -0.000 63.249 63.200 0.082 0.000 1.001 100 S HN 0.750 nan 8.310 nan 0.000 0.584 101 S N -0.354 115.333 115.700 -0.022 0.000 2.603 101 S HA 0.224 4.695 4.470 0.003 0.000 0.220 101 S C 0.026 174.387 174.600 -0.397 0.000 0.967 101 S CA 0.219 58.273 58.200 -0.245 0.000 0.920 101 S CB -0.614 62.353 63.200 -0.388 0.000 0.773 101 S HN 0.617 nan 8.310 nan 0.000 0.529 102 F N 1.675 121.583 119.950 -0.070 0.000 2.850 102 F HA 0.269 4.798 4.527 0.003 0.000 0.306 102 F C 0.270 176.011 175.800 -0.098 0.000 1.162 102 F CA -0.222 57.746 58.000 -0.055 0.000 1.327 102 F CB 0.579 39.524 39.000 -0.092 0.000 0.953 102 F HN -0.143 nan 8.300 nan 0.000 0.507 103 T N 1.408 115.987 114.554 0.043 0.000 2.991 103 T HA 0.314 4.665 4.350 0.003 0.000 0.347 103 T C -2.544 172.195 174.700 0.066 0.000 1.122 103 T CA -1.613 60.524 62.100 0.062 0.000 1.062 103 T CB 1.260 70.143 68.868 0.025 0.000 1.043 103 T HN -0.213 nan 8.240 nan 0.000 0.491 104 P HA 0.264 nan 4.420 nan 0.000 0.271 104 P C -0.321 177.081 177.300 0.170 0.000 1.244 104 P CA -0.571 62.603 63.100 0.124 0.000 0.793 104 P CB 0.498 32.297 31.700 0.165 0.000 0.984 105 E N 0.861 121.146 120.200 0.142 0.000 2.299 105 E HA 0.381 4.733 4.350 0.003 0.000 0.272 105 E C 1.152 177.934 176.600 0.303 0.000 1.043 105 E CA 1.161 57.621 56.400 0.101 0.000 0.895 105 E CB -0.915 28.710 29.700 -0.125 0.000 1.011 105 E HN 0.551 nan 8.360 nan 0.000 0.432 106 E N 0.453 120.955 120.200 0.503 0.000 4.217 106 E HA -0.209 4.142 4.350 0.003 0.000 0.365 106 E C 0.217 177.014 176.600 0.330 0.000 0.647 106 E CA 0.984 57.714 56.400 0.550 0.000 1.399 106 E CB -2.370 nan 29.700 nan 0.000 1.766 106 E HN 0.413 nan 8.360 nan 0.000 0.394 107 S N 1.274 117.242 115.700 0.447 0.000 2.672 107 S HA 0.691 5.163 4.470 0.003 0.000 0.276 107 S C -2.401 172.514 174.600 0.525 0.000 1.207 107 S CA -0.899 57.528 58.200 0.379 0.000 1.002 107 S CB 1.544 64.918 63.200 0.290 0.000 0.998 107 S HN 0.358 nan 8.310 nan 0.000 0.542 108 P HA 0.098 nan 4.420 nan 0.000 0.264 108 P C -0.781 176.783 177.300 0.440 0.000 1.193 108 P CA -0.018 63.359 63.100 0.462 0.000 0.763 108 P CB 0.209 31.988 31.700 0.133 0.000 0.810 109 D N 5.439 126.162 120.400 0.537 0.000 2.325 109 D HA 0.064 4.706 4.640 0.003 0.000 0.251 109 D C -1.274 175.204 176.300 0.298 0.000 1.196 109 D CA -2.192 51.994 54.000 0.310 0.000 0.866 109 D CB 0.785 41.720 40.800 0.224 0.000 1.101 109 D HN 0.180 nan 8.370 nan 0.000 0.476 110 P HA -0.069 nan 4.420 nan 0.000 0.222 110 P C 1.286 178.594 177.300 0.015 0.000 1.147 110 P CA 0.647 63.702 63.100 -0.074 0.000 0.790 110 P CB 0.159 31.450 31.700 -0.681 0.000 0.780 111 G N -1.424 107.396 108.800 0.032 0.000 2.509 111 G HA2 -0.235 3.727 3.960 0.003 0.000 0.218 111 G HA3 -0.235 3.727 3.960 0.003 0.000 0.218 111 G C 1.157 176.185 174.900 0.214 0.000 1.124 111 G CA 0.124 45.280 45.100 0.093 0.000 0.776 111 G HN 0.233 nan 8.290 nan 0.000 0.547 112 F N -0.805 119.163 119.950 0.029 0.000 2.343 112 F HA 0.306 4.835 4.527 0.003 0.000 0.286 112 F C 2.047 177.830 175.800 -0.028 0.000 1.057 112 F CA 0.064 58.037 58.000 -0.045 0.000 1.365 112 F CB -0.089 38.690 39.000 -0.368 0.000 1.114 112 F HN 0.135 nan 8.300 nan 0.000 0.545 113 W N -0.005 121.265 121.300 -0.050 0.000 2.480 113 W HA 0.017 4.678 4.660 0.003 0.000 0.299 113 W C 2.340 178.820 176.519 -0.064 0.000 1.187 113 W CA 1.462 58.698 57.345 -0.181 0.000 1.347 113 W CB -0.783 28.639 29.460 -0.063 0.000 1.121 113 W HN -0.275 nan 8.180 nan 0.000 0.533 114 V N 1.217 121.236 119.914 0.176 0.000 2.407 114 V HA -0.210 3.912 4.120 0.003 0.000 0.248 114 V C -0.780 175.265 176.094 -0.082 0.000 1.055 114 V CA 1.639 63.963 62.300 0.039 0.000 1.049 114 V CB -2.038 29.783 31.823 -0.002 0.000 0.662 114 V HN -0.002 nan 8.190 nan 0.000 0.455 115 P HA -0.028 nan 4.420 nan 0.000 0.230 115 P C 0.899 178.013 177.300 -0.311 0.000 1.158 115 P CA 0.941 63.898 63.100 -0.240 0.000 0.769 115 P CB -0.118 31.389 31.700 -0.322 0.000 0.807 116 N N 0.294 118.856 118.700 -0.229 0.000 2.322 116 N HA -0.002 4.740 4.740 0.003 0.000 0.216 116 N C -0.436 175.062 175.510 -0.019 0.000 1.144 116 N CA 0.275 53.239 53.050 -0.143 0.000 0.830 116 N CB -0.330 38.063 38.487 -0.158 0.000 1.034 116 N HN -0.020 nan 8.380 nan 0.000 0.484 117 D N 0.188 120.523 120.400 -0.110 0.000 2.716 117 D HA -0.220 4.422 4.640 0.003 0.000 0.239 117 D C -0.900 175.257 176.300 -0.238 0.000 1.125 117 D CA 1.006 54.881 54.000 -0.207 0.000 0.681 117 D CB -1.699 39.063 40.800 -0.063 0.000 1.070 117 D HN 0.402 nan 8.370 nan 0.000 0.432 118 Y N -1.371 118.878 120.300 -0.085 0.000 2.468 118 Y HA 0.527 5.079 4.550 0.002 0.000 0.342 118 Y C 0.834 176.678 175.900 -0.094 0.000 1.021 118 Y CA -1.078 57.030 58.100 0.014 0.000 1.079 118 Y CB 1.493 40.038 38.460 0.142 0.000 1.226 118 Y HN -0.215 nan 8.280 nan 0.000 0.460 119 V N 3.392 123.385 119.914 0.133 0.000 2.607 119 V HA 0.312 4.434 4.120 0.003 0.000 0.289 119 V C -0.401 175.737 176.094 0.073 0.000 1.053 119 V CA -0.658 61.658 62.300 0.027 0.000 0.996 119 V CB 1.354 33.172 31.823 -0.008 0.000 0.995 119 V HN 0.479 nan 8.190 nan 0.000 0.476 120 V N 5.111 125.065 119.914 0.067 0.000 2.448 120 V HA 0.453 4.575 4.120 0.003 0.000 0.295 120 V C -0.271 175.910 176.094 0.145 0.000 1.025 120 V CA -0.493 61.871 62.300 0.107 0.000 0.859 120 V CB 1.951 33.850 31.823 0.128 0.000 0.988 120 V HN 0.595 nan 8.190 nan 0.000 0.431 121 V N 4.680 124.670 119.914 0.127 0.000 2.417 121 V HA 0.555 4.677 4.120 0.003 0.000 0.291 121 V C -0.202 175.998 176.094 0.177 0.000 1.024 121 V CA -0.885 61.502 62.300 0.144 0.000 0.861 121 V CB 1.935 33.863 31.823 0.175 0.000 0.985 121 V HN 0.750 nan 8.190 nan 0.000 0.436 122 K N 4.211 124.726 120.400 0.192 0.000 2.339 122 K HA 0.592 4.914 4.320 0.003 0.000 0.264 122 K C -1.227 175.437 176.600 0.106 0.000 0.986 122 K CA -0.412 55.983 56.287 0.180 0.000 0.866 122 K CB 1.454 34.119 32.500 0.274 0.000 1.103 122 K HN 0.411 nan 8.250 nan 0.000 0.441 123 V N 3.693 123.637 119.914 0.050 0.000 2.370 123 V HA 0.583 4.705 4.120 0.003 0.000 0.283 123 V C -0.122 175.949 176.094 -0.039 0.000 1.023 123 V CA -1.121 61.169 62.300 -0.017 0.000 0.857 123 V CB 1.278 33.050 31.823 -0.085 0.000 0.985 123 V HN 0.858 nan 8.190 nan 0.000 0.443 124 A N 6.591 129.397 122.820 -0.024 0.000 2.310 124 A HA 0.651 4.973 4.320 0.003 0.000 0.300 124 A C -0.081 177.446 177.584 -0.094 0.000 1.269 124 A CA -0.260 51.747 52.037 -0.050 0.000 0.909 124 A CB -0.092 18.885 19.000 -0.038 0.000 1.144 124 A HN 0.827 nan 8.150 nan 0.000 0.540 125 L N 1.620 122.774 121.223 -0.115 0.000 2.470 125 L HA 0.287 4.628 4.340 0.003 0.000 0.243 125 L C 1.433 178.236 176.870 -0.112 0.000 1.227 125 L CA -0.524 54.258 54.840 -0.096 0.000 0.824 125 L CB 0.321 42.350 42.059 -0.050 0.000 1.175 125 L HN 0.790 nan 8.230 nan 0.000 0.503 126 R N 0.186 120.642 120.500 -0.074 0.000 2.522 126 R HA 0.148 4.490 4.340 0.003 0.000 0.284 126 R C 0.710 176.936 176.300 -0.123 0.000 1.032 126 R CA 1.016 57.065 56.100 -0.085 0.000 1.049 126 R CB 0.000 30.273 30.300 -0.046 0.000 0.956 126 R HN 0.839 nan 8.270 nan 0.000 0.422 127 G N 2.344 111.039 108.800 -0.175 0.000 2.175 127 G HA2 -0.300 3.661 3.960 0.003 0.000 0.244 127 G HA3 -0.300 3.661 3.960 0.003 0.000 0.244 127 G C -0.186 174.397 174.900 -0.529 0.000 0.982 127 G CA 0.313 45.272 45.100 -0.235 0.000 0.641 127 G HN 0.833 nan 8.290 nan 0.000 0.527 128 S N -0.531 114.780 115.700 -0.648 0.000 2.704 128 S HA 0.743 5.214 4.470 0.003 0.000 0.305 128 S C 0.246 174.192 174.600 -1.089 0.000 1.107 128 S CA 0.749 58.166 58.200 -1.306 0.000 0.993 128 S CB 2.952 65.699 63.200 -0.756 0.000 1.110 128 S HN 1.230 nan 8.310 nan 0.000 0.534 129 D N 0.877 120.304 120.400 -1.620 0.000 3.608 129 D HA -0.264 4.378 4.640 0.003 0.000 0.152 129 D C 0.331 176.309 176.300 -0.538 0.000 0.971 129 D CA 2.056 55.638 54.000 -0.695 0.000 1.072 129 D CB -0.787 39.845 40.800 -0.280 0.000 0.507 129 D HN 0.748 nan 8.370 nan 0.000 0.520 130 K N -0.483 119.613 120.400 -0.507 0.000 2.417 130 K HA 0.234 4.556 4.320 0.003 0.000 0.196 130 K C -0.195 176.262 176.600 -0.238 0.000 1.023 130 K CA 0.219 56.192 56.287 -0.525 0.000 1.122 130 K CB 0.459 32.357 32.500 -1.002 0.000 0.850 130 K HN 0.148 nan 8.250 nan 0.000 0.521 131 S N 1.344 116.966 115.700 -0.130 0.000 2.489 131 S HA 0.139 4.611 4.470 0.003 0.000 0.277 131 S C 0.393 174.902 174.600 -0.150 0.000 1.230 131 S CA -0.512 57.653 58.200 -0.060 0.000 1.053 131 S CB 0.443 63.609 63.200 -0.057 0.000 0.955 131 S HN 0.047 nan 8.310 nan 0.000 0.488 132 K N 3.891 124.240 120.400 -0.085 0.000 2.593 132 K HA 0.240 4.561 4.320 0.003 0.000 0.208 132 K C 0.894 177.458 176.600 -0.060 0.000 1.051 132 K CA -0.184 56.056 56.287 -0.079 0.000 1.111 132 K CB 0.384 32.854 32.500 -0.050 0.000 0.849 132 K HN 0.673 nan 8.250 nan 0.000 0.479 133 G N 0.510 109.272 108.800 -0.063 0.000 2.553 133 G HA2 0.218 4.179 3.960 0.003 0.000 0.278 133 G HA3 0.218 4.179 3.960 0.003 0.000 0.278 133 G C -0.147 174.724 174.900 -0.048 0.000 1.349 133 G CA -0.572 44.499 45.100 -0.048 0.000 1.037 133 G HN -0.011 nan 8.290 nan 0.000 0.508 134 V N 0.279 120.173 119.914 -0.033 0.000 2.540 134 V HA 0.059 4.181 4.120 0.003 0.000 0.297 134 V C 0.536 176.616 176.094 -0.023 0.000 1.024 134 V CA 0.274 62.560 62.300 -0.023 0.000 1.105 134 V CB 0.706 32.520 31.823 -0.015 0.000 0.938 134 V HN 0.465 nan 8.190 nan 0.000 0.482 135 L N 5.456 126.672 121.223 -0.012 0.000 2.297 135 L HA 0.448 4.789 4.340 0.003 0.000 0.277 135 L C 0.325 177.214 176.870 0.032 0.000 1.040 135 L CA 0.143 54.986 54.840 0.004 0.000 0.867 135 L CB 1.178 43.242 42.059 0.009 0.000 1.244 135 L HN 0.707 nan 8.230 nan 0.000 0.433 136 S N 6.521 122.239 115.700 0.029 0.000 2.426 136 S HA 0.501 4.973 4.470 0.003 0.000 0.236 136 S C -2.455 172.170 174.600 0.041 0.000 1.368 136 S CA -1.507 56.713 58.200 0.034 0.000 1.154 136 S CB 0.583 63.783 63.200 0.000 0.000 1.037 136 S HN 0.350 nan 8.310 nan 0.000 0.481 137 P HA 0.081 nan 4.420 nan 0.000 0.266 137 P C -0.385 176.983 177.300 0.115 0.000 1.195 137 P CA 0.448 63.558 63.100 0.017 0.000 0.768 137 P CB 0.024 31.631 31.700 -0.154 0.000 0.838 138 W N -0.208 121.094 121.300 0.004 0.000 6.111 138 W HA -0.154 4.508 4.660 0.003 0.000 0.409 138 W C 0.076 176.425 176.519 -0.284 0.000 1.586 138 W CA 0.756 58.088 57.345 -0.022 0.000 1.027 138 W CB -2.899 26.705 29.460 0.240 0.000 2.784 138 W HN 0.464 nan 8.180 nan 0.000 1.485 139 S N -1.975 113.424 115.700 -0.503 0.000 2.709 139 S HA 0.634 5.106 4.470 0.003 0.000 0.302 139 S C 0.877 174.689 174.600 -1.314 0.000 1.127 139 S CA -0.546 57.179 58.200 -0.792 0.000 0.905 139 S CB 2.884 65.885 63.200 -0.331 0.000 1.151 139 S HN 0.135 nan 8.310 nan 0.000 0.510 140 K N 0.538 120.314 120.400 -1.041 0.000 2.155 140 K HA -0.062 4.259 4.320 0.003 0.000 0.203 140 K C 2.292 178.760 176.600 -0.220 0.000 1.052 140 K CA 1.074 57.026 56.287 -0.558 0.000 0.948 140 K CB -0.214 32.219 32.500 -0.112 0.000 0.728 140 K HN 0.739 nan 8.250 nan 0.000 0.448 141 R N 0.298 120.683 120.500 -0.192 0.000 2.092 141 R HA -0.122 4.220 4.340 0.003 0.000 0.231 141 R C 2.007 178.278 176.300 -0.048 0.000 1.119 141 R CA 1.638 57.686 56.100 -0.086 0.000 0.970 141 R CB -0.447 29.811 30.300 -0.070 0.000 0.864 141 R HN 0.234 nan 8.270 nan 0.000 0.440 142 E N 1.057 121.211 120.200 -0.077 0.000 2.110 142 E HA -0.178 4.174 4.350 0.003 0.000 0.193 142 E C 1.990 178.660 176.600 0.117 0.000 0.988 142 E CA 1.229 57.639 56.400 0.017 0.000 0.804 142 E CB -0.107 29.611 29.700 0.031 0.000 0.745 142 E HN 0.510 nan 8.360 nan 0.000 0.458 143 A N 0.944 123.817 122.820 0.089 0.000 1.930 143 A HA -0.202 4.120 4.320 0.003 0.000 0.217 143 A C 1.893 179.644 177.584 0.279 0.000 1.175 143 A CA 1.530 53.730 52.037 0.273 0.000 0.627 143 A CB -0.439 18.759 19.000 0.329 0.000 0.815 143 A HN 0.321 nan 8.150 nan 0.000 0.443 144 E N -0.044 120.251 120.200 0.160 0.000 2.077 144 E HA -0.186 4.165 4.350 0.003 0.000 0.193 144 E C 1.404 178.117 176.600 0.188 0.000 0.989 144 E CA 1.144 57.621 56.400 0.129 0.000 0.800 144 E CB -0.177 29.537 29.700 0.024 0.000 0.746 144 E HN 0.528 nan 8.360 nan 0.000 0.452 145 D N 0.089 120.583 120.400 0.157 0.000 2.123 145 D HA -0.189 4.453 4.640 0.003 0.000 0.196 145 D C 1.660 178.110 176.300 0.250 0.000 0.992 145 D CA 1.019 55.109 54.000 0.149 0.000 0.833 145 D CB -0.441 40.406 40.800 0.079 0.000 0.954 145 D HN 0.296 nan 8.370 nan 0.000 0.455 146 Y N -0.155 120.240 120.300 0.159 0.000 2.114 146 Y HA -0.369 4.183 4.550 0.004 0.000 0.284 146 Y C 2.521 178.549 175.900 0.213 0.000 1.143 146 Y CA 1.087 59.294 58.100 0.178 0.000 1.135 146 Y CB -0.198 38.382 38.460 0.201 0.000 0.980 146 Y HN -0.046 nan 8.280 nan 0.000 0.499 147 Y N 1.542 121.998 120.300 0.261 0.000 2.062 147 Y HA -0.419 4.132 4.550 0.001 0.000 0.273 147 Y C 2.316 178.322 175.900 0.177 0.000 1.206 147 Y CA 2.493 60.686 58.100 0.156 0.000 1.125 147 Y CB -0.407 38.131 38.460 0.130 0.000 0.951 147 Y HN 0.259 nan 8.280 nan 0.000 0.501 148 E N -0.945 119.525 120.200 0.450 0.000 2.153 148 E HA -0.176 4.175 4.350 0.003 0.000 0.194 148 E C 2.167 178.931 176.600 0.273 0.000 0.988 148 E CA 1.469 58.070 56.400 0.334 0.000 0.811 148 E CB -0.186 29.654 29.700 0.233 0.000 0.746 148 E HN 0.419 nan 8.360 nan 0.000 0.466 149 V N 1.419 121.491 119.914 0.264 0.000 2.453 149 V HA -0.203 3.919 4.120 0.003 0.000 0.247 149 V C 2.254 178.562 176.094 0.357 0.000 1.048 149 V CA 1.144 63.609 62.300 0.275 0.000 1.049 149 V CB -0.380 31.561 31.823 0.196 0.000 0.672 149 V HN 0.216 nan 8.190 nan 0.000 0.457 150 I N -0.008 120.728 120.570 0.276 0.000 2.127 150 I HA -0.206 3.965 4.170 0.003 0.000 0.241 150 I C 2.705 178.898 176.117 0.127 0.000 1.075 150 I CA 1.479 62.880 61.300 0.169 0.000 1.334 150 I CB -0.384 37.623 38.000 0.012 0.000 1.040 150 I HN 0.286 nan 8.210 nan 0.000 0.405 151 E N -0.196 120.063 120.200 0.097 0.000 2.150 151 E HA -0.255 4.097 4.350 0.003 0.000 0.193 151 E C 1.682 178.347 176.600 0.108 0.000 0.985 151 E CA 1.089 57.545 56.400 0.093 0.000 0.814 151 E CB -0.420 29.345 29.700 0.109 0.000 0.752 151 E HN 0.624 nan 8.360 nan 0.000 0.466 152 W N 1.832 123.141 121.300 0.015 0.000 2.355 152 W HA -0.201 4.460 4.660 0.003 0.000 0.309 152 W C 2.389 178.876 176.519 -0.054 0.000 1.206 152 W CA 2.554 59.894 57.345 -0.008 0.000 1.284 152 W CB -0.361 29.118 29.460 0.032 0.000 1.145 152 W HN 0.050 nan 8.180 nan 0.000 0.502 153 A N 0.805 123.732 122.820 0.180 0.000 1.940 153 A HA -0.111 4.211 4.320 0.003 0.000 0.219 153 A C 2.041 179.461 177.584 -0.275 0.000 1.176 153 A CA 2.334 54.366 52.037 -0.009 0.000 0.631 153 A CB -1.577 17.638 19.000 0.358 0.000 0.814 153 A HN 0.513 nan 8.150 nan 0.000 0.446 154 A N -0.599 122.065 122.820 -0.260 0.000 2.178 154 A HA -0.121 4.201 4.320 0.003 0.000 0.218 154 A C 1.613 178.882 177.584 -0.524 0.000 1.157 154 A CA 1.463 53.230 52.037 -0.450 0.000 0.689 154 A CB -0.370 18.144 19.000 -0.810 0.000 0.787 154 A HN 0.554 nan 8.150 nan 0.000 0.465 155 N N -0.558 117.814 118.700 -0.546 0.000 2.187 155 N HA 0.060 4.802 4.740 0.003 0.000 0.212 155 N C -0.270 174.852 175.510 -0.648 0.000 1.152 155 N CA 0.073 52.812 53.050 -0.518 0.000 0.872 155 N CB 0.376 38.614 38.487 -0.416 0.000 1.025 155 N HN 0.439 nan 8.380 nan 0.000 0.514 156 Q N 0.110 119.357 119.800 -0.922 0.000 2.212 156 Q HA 0.214 4.556 4.340 0.003 0.000 0.238 156 Q C 1.337 176.739 176.000 -0.998 0.000 0.955 156 Q CA -0.136 54.968 55.803 -1.166 0.000 0.906 156 Q CB 0.991 28.593 28.738 -1.893 0.000 1.215 156 Q HN 0.126 nan 8.270 nan 0.000 0.478 157 S N -0.355 114.831 115.700 -0.857 0.000 2.447 157 S HA -0.074 4.398 4.470 0.003 0.000 0.233 157 S C 1.076 175.464 174.600 -0.353 0.000 1.006 157 S CA 0.737 58.647 58.200 -0.484 0.000 0.957 157 S CB -0.267 62.767 63.200 -0.276 0.000 0.773 157 S HN 0.791 nan 8.310 nan 0.000 0.507 158 W N 1.318 122.572 121.300 -0.078 0.000 3.278 158 W HA 0.547 5.210 4.660 0.003 0.000 0.308 158 W C 0.402 176.919 176.519 -0.004 0.000 1.253 158 W CA -0.354 56.993 57.345 0.004 0.000 1.759 158 W CB -0.631 28.888 29.460 0.098 0.000 1.093 158 W HN 0.301 nan 8.180 nan 0.000 0.648 159 S N 2.593 118.230 115.700 -0.106 0.000 2.549 159 S HA 0.176 4.648 4.470 0.003 0.000 0.297 159 S C 0.908 175.430 174.600 -0.130 0.000 1.115 159 S CA -0.466 57.722 58.200 -0.020 0.000 1.059 159 S CB 1.074 64.108 63.200 -0.277 0.000 1.046 159 S HN 0.204 nan 8.310 nan 0.000 0.506 160 N N 2.586 121.244 118.700 -0.070 0.000 2.236 160 N HA 0.210 4.952 4.740 0.003 0.000 0.196 160 N C 1.127 176.573 175.510 -0.106 0.000 1.114 160 N CA 0.838 53.822 53.050 -0.111 0.000 0.859 160 N CB 0.099 38.525 38.487 -0.103 0.000 0.982 160 N HN 1.048 nan 8.380 nan 0.000 0.493 161 G N 0.183 108.907 108.800 -0.127 0.000 2.258 161 G HA2 -0.265 3.697 3.960 0.003 0.000 0.233 161 G HA3 -0.265 3.697 3.960 0.003 0.000 0.233 161 G C -0.449 174.436 174.900 -0.024 0.000 1.006 161 G CA -0.076 44.941 45.100 -0.139 0.000 0.620 161 G HN 0.457 nan 8.290 nan 0.000 0.511 162 N N 1.442 120.133 118.700 -0.014 0.000 2.439 162 N HA 0.548 5.290 4.740 0.003 0.000 0.249 162 N C -0.291 175.203 175.510 -0.027 0.000 1.003 162 N CA -0.075 52.972 53.050 -0.005 0.000 0.942 162 N CB 1.015 39.486 38.487 -0.027 0.000 1.115 162 N HN 0.217 nan 8.380 nan 0.000 0.505 163 I N 0.946 121.500 120.570 -0.027 0.000 2.378 163 I HA 0.482 4.654 4.170 0.003 0.000 0.291 163 I C 0.904 176.931 176.117 -0.149 0.000 0.992 163 I CA -0.981 60.289 61.300 -0.050 0.000 1.154 163 I CB 1.030 39.039 38.000 0.015 0.000 1.315 163 I HN 0.344 nan 8.210 nan 0.000 0.448 164 G N 4.022 112.635 108.800 -0.311 0.000 2.590 164 G HA2 0.613 4.575 3.960 0.003 0.000 0.310 164 G HA3 0.613 4.575 3.960 0.003 0.000 0.310 164 G C -0.367 174.419 174.900 -0.191 0.000 1.347 164 G CA -0.414 44.412 45.100 -0.456 0.000 0.963 164 G HN 0.612 nan 8.290 nan 0.000 0.494 165 T N -0.055 114.546 114.554 0.078 0.000 2.909 165 T HA 0.674 5.026 4.350 0.003 0.000 0.286 165 T C -0.254 174.631 174.700 0.309 0.000 1.002 165 T CA -0.934 61.270 62.100 0.173 0.000 1.074 165 T CB 2.037 70.968 68.868 0.104 0.000 0.984 165 T HN 0.534 nan 8.240 nan 0.000 0.495 166 N N -0.155 118.693 118.700 0.248 0.000 2.555 166 N HA 0.613 5.355 4.740 0.003 0.000 0.265 166 N C -0.543 175.081 175.510 0.190 0.000 1.135 166 N CA 0.542 53.731 53.050 0.231 0.000 0.925 166 N CB 1.828 40.448 38.487 0.221 0.000 1.662 166 N HN 1.378 nan 8.380 nan 0.000 0.489 167 G N -0.135 108.737 108.800 0.121 0.000 2.359 167 G HA2 0.221 4.182 3.960 0.003 0.000 0.303 167 G HA3 0.221 4.182 3.960 0.003 0.000 0.303 167 G C -2.025 172.754 174.900 -0.201 0.000 1.293 167 G CA -0.317 44.727 45.100 -0.092 0.000 0.964 167 G HN 0.551 nan 8.290 nan 0.000 0.531 168 V N 0.234 120.007 119.914 -0.235 0.000 2.815 168 V HA 0.806 4.928 4.120 0.003 0.000 0.314 168 V C 1.402 177.539 176.094 0.073 0.000 1.064 168 V CA 1.002 63.192 62.300 -0.183 0.000 0.952 168 V CB 0.944 32.572 31.823 -0.325 0.000 1.020 168 V HN 2.583 nan 8.190 nan 0.000 0.439 169 S N 2.159 117.813 115.700 -0.078 0.000 4.054 169 S HA -0.398 4.073 4.470 0.003 0.000 0.618 169 S C 1.266 175.998 174.600 0.220 0.000 2.026 169 S CA 2.036 60.234 58.200 -0.003 0.000 4.205 169 S CB -1.594 61.977 63.200 0.617 0.000 0.233 169 S HN 1.093 nan 8.310 nan 0.000 0.612 170 Y N 1.442 122.060 120.300 0.531 0.000 2.173 170 Y HA -0.197 4.354 4.550 0.003 0.000 0.282 170 Y C 1.972 178.069 175.900 0.329 0.000 1.192 170 Y CA 2.320 60.794 58.100 0.624 0.000 1.176 170 Y CB -0.298 38.383 38.460 0.369 0.000 0.969 170 Y HN 0.430 nan 8.280 nan 0.000 0.519 171 L N -0.598 120.900 121.223 0.458 0.000 2.551 171 L HA -0.043 4.298 4.340 0.003 0.000 0.228 171 L C 2.200 179.179 176.870 0.182 0.000 1.153 171 L CA 1.336 56.361 54.840 0.308 0.000 0.851 171 L CB -1.041 41.158 42.059 0.234 0.000 0.959 171 L HN 0.294 nan 8.230 nan 0.000 0.451 172 A N -1.164 121.700 122.820 0.072 0.000 1.920 172 A HA 0.063 4.385 4.320 0.003 0.000 0.209 172 A C 2.225 179.752 177.584 -0.095 0.000 1.229 172 A CA 0.704 52.684 52.037 -0.095 0.000 0.671 172 A CB -0.520 18.369 19.000 -0.185 0.000 0.886 172 A HN 0.071 nan 8.150 nan 0.000 0.461 173 V N 1.467 121.335 119.914 -0.077 0.000 2.282 173 V HA -0.293 3.829 4.120 0.003 0.000 0.249 173 V C 3.011 179.223 176.094 0.197 0.000 1.057 173 V CA 2.670 64.913 62.300 -0.095 0.000 1.032 173 V CB -1.704 29.587 31.823 -0.887 0.000 0.645 173 V HN 0.806 nan 8.190 nan 0.000 0.447 174 T N -1.732 113.001 114.554 0.298 0.000 2.833 174 T HA -0.269 4.083 4.350 0.003 0.000 0.269 174 T C 1.757 176.744 174.700 0.478 0.000 1.054 174 T CA 1.641 64.059 62.100 0.531 0.000 1.135 174 T CB -0.380 68.862 68.868 0.623 0.000 0.869 174 T HN 0.591 nan 8.240 nan 0.000 0.466 175 Q N 0.229 120.182 119.800 0.255 0.000 2.020 175 Q HA -0.076 4.266 4.340 0.003 0.000 0.202 175 Q C 2.166 178.163 176.000 -0.005 0.000 0.982 175 Q CA 1.715 57.530 55.803 0.020 0.000 0.838 175 Q CB -0.417 28.232 28.738 -0.149 0.000 0.899 175 Q HN 0.714 nan 8.270 nan 0.000 0.423 176 W N -0.277 121.058 121.300 0.057 0.000 2.318 176 W HA -0.237 4.424 4.660 0.002 0.000 0.313 176 W C 1.890 178.398 176.519 -0.018 0.000 1.221 176 W CA 0.286 57.610 57.345 -0.035 0.000 1.266 176 W CB -0.635 28.738 29.460 -0.146 0.000 1.150 176 W HN 0.243 nan 8.180 nan 0.000 0.496 177 W N -0.665 120.802 121.300 0.278 0.000 2.332 177 W HA -0.222 4.439 4.660 0.002 0.000 0.321 177 W C 2.588 179.214 176.519 0.180 0.000 1.219 177 W CA 1.654 59.134 57.345 0.224 0.000 1.277 177 W CB -1.213 28.392 29.460 0.242 0.000 1.161 177 W HN -0.345 nan 8.180 nan 0.000 0.476 178 V N 0.576 120.724 119.914 0.391 0.000 2.548 178 V HA -0.186 3.936 4.120 0.003 0.000 0.249 178 V C 2.076 178.254 176.094 0.141 0.000 1.055 178 V CA 2.045 64.477 62.300 0.220 0.000 1.065 178 V CB -0.871 30.905 31.823 -0.078 0.000 0.681 178 V HN 0.174 nan 8.190 nan 0.000 0.462 179 A N 0.184 123.060 122.820 0.093 0.000 1.972 179 A HA -0.199 4.123 4.320 0.003 0.000 0.219 179 A C 2.522 180.183 177.584 0.128 0.000 1.169 179 A CA 2.153 54.241 52.037 0.084 0.000 0.635 179 A CB -0.884 18.163 19.000 0.078 0.000 0.810 179 A HN 0.849 nan 8.150 nan 0.000 0.446 180 S N -0.221 115.573 115.700 0.157 0.000 2.469 180 S HA -0.038 4.434 4.470 0.003 0.000 0.238 180 S C 1.518 176.217 174.600 0.165 0.000 0.998 180 S CA 1.332 59.611 58.200 0.133 0.000 0.957 180 S CB -0.576 62.677 63.200 0.087 0.000 0.764 180 S HN 0.490 nan 8.310 nan 0.000 0.514 181 L N 0.723 122.081 121.223 0.225 0.000 2.567 181 L HA 0.235 4.576 4.340 0.003 0.000 0.225 181 L C 0.199 177.245 176.870 0.294 0.000 1.119 181 L CA -0.177 54.821 54.840 0.264 0.000 0.871 181 L CB -0.793 41.495 42.059 0.381 0.000 1.036 181 L HN 0.235 nan 8.230 nan 0.000 0.459 182 N N -0.070 118.748 118.700 0.196 0.000 2.696 182 N HA -0.105 4.636 4.740 0.003 0.000 0.256 182 N C -2.279 173.294 175.510 0.104 0.000 1.031 182 N CA 0.204 53.331 53.050 0.128 0.000 0.730 182 N CB -1.132 37.418 38.487 0.104 0.000 0.894 182 N HN 0.228 nan 8.380 nan 0.000 0.544 183 P HA 0.095 nan 4.420 nan 0.000 0.264 183 P C -1.658 175.515 177.300 -0.211 0.000 1.193 183 P CA -0.911 61.957 63.100 -0.386 0.000 0.763 183 P CB 0.281 31.639 31.700 -0.571 0.000 0.810 184 P HA -0.121 nan 4.420 nan 0.000 0.222 184 P C 0.548 177.608 177.300 -0.401 0.000 1.147 184 P CA 1.533 64.478 63.100 -0.258 0.000 0.790 184 P CB -0.108 31.420 31.700 -0.287 0.000 0.780 185 H N -2.400 116.606 119.070 -0.106 0.000 2.586 185 H HA 0.202 4.760 4.556 0.004 0.000 0.273 185 H C 0.337 175.614 175.328 -0.085 0.000 0.997 185 H CA -0.531 55.467 56.048 -0.084 0.000 1.177 185 H CB -0.149 29.566 29.762 -0.079 0.000 1.471 185 H HN -0.007 nan 8.280 nan 0.000 0.538 186 L N 2.062 123.261 121.223 -0.039 0.000 2.485 186 L HA 0.055 4.397 4.340 0.003 0.000 0.279 186 L C 0.572 177.423 176.870 -0.033 0.000 1.124 186 L CA 0.172 54.982 54.840 -0.049 0.000 0.888 186 L CB 0.372 42.383 42.059 -0.080 0.000 1.217 186 L HN -0.020 nan 8.230 nan 0.000 0.464 187 K N 3.960 124.343 120.400 -0.028 0.000 2.352 187 K HA 0.498 4.820 4.320 0.003 0.000 0.194 187 K C 0.233 176.813 176.600 -0.033 0.000 1.038 187 K CA 0.704 56.983 56.287 -0.014 0.000 1.023 187 K CB 0.470 32.970 32.500 0.001 0.000 0.840 187 K HN 0.642 nan 8.250 nan 0.000 0.519 191 P HA -0.050 nan 4.420 nan 0.000 0.271 191 P C -0.395 176.799 177.300 -0.176 0.000 1.380 191 P CA 0.274 63.141 63.100 -0.389 0.000 0.992 191 P CB 0.294 31.327 31.700 -1.112 0.000 1.230 192 W N 6.065 127.228 121.300 -0.228 0.000 2.226 192 W HA 0.131 4.792 4.660 0.002 0.000 0.379 192 W C -0.377 175.996 176.519 -0.244 0.000 0.923 192 W CA 0.110 57.346 57.345 -0.181 0.000 1.524 192 W CB -0.290 29.086 29.460 -0.139 0.000 1.552 192 W HN 0.561 nan 8.180 nan 0.000 0.337 193 E N 2.107 122.164 120.200 -0.240 0.000 3.375 193 E HA -0.150 4.202 4.350 0.003 0.000 0.160 193 E C -0.065 176.281 176.600 -0.423 0.000 1.617 193 E CA 0.646 56.899 56.400 -0.244 0.000 0.787 193 E CB -1.336 28.256 29.700 -0.181 0.000 1.087 193 E HN 0.621 nan 8.360 nan 0.000 0.375 194 G N 1.813 110.492 108.800 -0.201 0.000 2.719 194 G HA2 0.568 4.530 3.960 0.003 0.000 0.298 194 G HA3 0.568 4.530 3.960 0.003 0.000 0.298 194 G C 0.020 174.977 174.900 0.095 0.000 1.433 194 G CA -0.885 44.087 45.100 -0.213 0.000 1.034 194 G HN 0.272 nan 8.290 nan 0.000 0.517 195 L N 0.549 121.831 121.223 0.098 0.000 2.473 195 L HA 0.570 4.912 4.340 0.003 0.000 0.265 195 L C 0.513 177.294 176.870 -0.148 0.000 1.243 195 L CA -0.173 54.643 54.840 -0.040 0.000 0.822 195 L CB 0.294 42.322 42.059 -0.053 0.000 1.101 195 L HN 0.624 nan 8.230 nan 0.000 0.507 196 N N -2.784 115.796 118.700 -0.200 0.000 2.162 196 N HA 0.260 5.001 4.740 0.003 0.000 0.232 196 N C -0.892 174.555 175.510 -0.105 0.000 1.361 196 N CA -0.382 52.535 53.050 -0.221 0.000 0.786 196 N CB 0.082 38.284 38.487 -0.474 0.000 1.290 196 N HN 0.795 nan 8.380 nan 0.000 0.505 200 R N 0.777 121.155 120.500 -0.202 0.000 2.276 200 R HA 0.154 4.496 4.340 0.003 0.000 0.196 200 R C 0.648 176.768 176.300 -0.299 0.000 0.961 200 R CA 1.486 57.414 56.100 -0.286 0.000 1.024 200 R CB 0.219 30.367 30.300 -0.253 0.000 0.940 200 R HN 0.490 nan 8.270 nan 0.000 0.480 201 E N -1.473 118.563 120.200 -0.274 0.000 2.500 201 E HA 0.032 4.383 4.350 0.003 0.000 0.217 201 E C 0.993 177.453 176.600 -0.234 0.000 0.848 201 E CA 0.136 56.415 56.400 -0.201 0.000 1.217 201 E CB 1.144 30.771 29.700 -0.122 0.000 1.217 201 E HN -0.009 nan 8.360 nan 0.000 0.573 202 V N -0.350 119.400 119.914 -0.272 0.000 3.229 202 V HA 0.289 4.410 4.120 0.003 0.000 0.239 202 V C 1.514 177.369 176.094 -0.399 0.000 1.390 202 V CA 0.994 63.195 62.300 -0.164 0.000 1.231 202 V CB 0.910 32.828 31.823 0.159 0.000 1.025 202 V HN 0.198 nan 8.190 nan 0.000 0.461 203 A N 0.173 122.602 122.820 -0.652 0.000 1.898 203 A HA 0.347 4.669 4.320 0.003 0.000 0.214 203 A C 0.656 177.342 177.584 -1.496 0.000 1.183 203 A CA 1.196 52.441 52.037 -1.320 0.000 0.622 203 A CB -0.210 18.043 19.000 -1.245 0.000 0.824 203 A HN 0.554 nan 8.150 nan 0.000 0.444 204 F N -2.389 116.909 119.950 -1.086 0.000 2.599 204 F HA 0.532 5.060 4.527 0.003 0.000 0.311 204 F C -0.545 174.581 175.800 -1.124 0.000 1.076 204 F CA -0.823 56.554 58.000 -1.039 0.000 0.937 204 F CB 1.585 39.862 39.000 -1.205 0.000 1.282 204 F HN 0.048 nan 8.300 nan 0.000 0.460 205 H N -0.104 118.669 119.070 -0.493 0.000 2.708 205 H HA 0.474 5.031 4.556 0.003 0.000 0.320 205 H C 0.545 175.626 175.328 -0.413 0.000 0.991 205 H CA -0.395 55.300 56.048 -0.589 0.000 1.243 205 H CB 1.565 30.568 29.762 -1.265 0.000 1.446 205 H HN 0.931 nan 8.280 nan 0.000 0.502 206 G N 2.408 111.096 108.800 -0.187 0.000 2.321 206 G HA2 -0.197 3.765 3.960 0.003 0.000 0.287 206 G HA3 -0.197 3.765 3.960 0.003 0.000 0.287 206 G C 1.192 175.944 174.900 -0.246 0.000 1.018 206 G CA 0.717 45.730 45.100 -0.146 0.000 0.855 206 G HN 1.447 nan 8.290 nan 0.000 0.507 207 G N -1.669 106.827 108.800 -0.508 0.000 2.176 207 G HA2 -0.267 3.694 3.960 0.003 0.000 0.253 207 G HA3 -0.267 3.694 3.960 0.003 0.000 0.253 207 G C 0.419 175.071 174.900 -0.414 0.000 0.979 207 G CA 0.387 45.061 45.100 -0.710 0.000 0.641 207 G HN 1.366 nan 8.290 nan 0.000 0.530 208 I N 3.265 123.685 120.570 -0.250 0.000 2.371 208 I HA 0.306 4.477 4.170 0.003 0.000 0.290 208 I C -1.709 174.420 176.117 0.019 0.000 1.028 208 I CA -2.334 58.914 61.300 -0.086 0.000 1.345 208 I CB 1.273 39.165 38.000 -0.179 0.000 1.407 208 I HN -0.090 nan 8.210 nan 0.000 0.501 209 P HA 0.001 nan 4.420 nan 0.000 0.271 209 P C -0.820 176.344 177.300 -0.226 0.000 1.216 209 P CA -0.143 62.791 63.100 -0.277 0.000 0.771 209 P CB 0.738 32.340 31.700 -0.162 0.000 0.864 210 D N 2.361 122.493 120.400 -0.447 0.000 2.336 210 D HA 0.076 4.718 4.640 0.003 0.000 0.249 210 D C 0.910 177.133 176.300 -0.129 0.000 1.213 210 D CA -0.044 53.776 54.000 -0.300 0.000 0.870 210 D CB 0.296 40.965 40.800 -0.218 0.000 1.076 210 D HN 0.265 nan 8.370 nan 0.000 0.483 211 T N 0.302 114.805 114.554 -0.086 0.000 3.105 211 T HA 0.361 4.712 4.350 0.003 0.000 0.253 211 T C 1.059 175.798 174.700 0.065 0.000 1.047 211 T CA 0.076 62.187 62.100 0.019 0.000 0.944 211 T CB 0.584 69.467 68.868 0.025 0.000 1.016 211 T HN 0.266 nan 8.240 nan 0.000 0.544 212 G N 0.821 109.676 108.800 0.092 0.000 3.198 212 G HA2 0.339 4.301 3.960 0.003 0.000 0.203 212 G HA3 0.339 4.301 3.960 0.003 0.000 0.203 212 G C 0.612 175.656 174.900 0.240 0.000 1.950 212 G CA -0.237 44.942 45.100 0.131 0.000 0.798 212 G HN 0.152 nan 8.290 nan 0.000 0.720 213 F N 0.433 120.497 119.950 0.191 0.000 2.063 213 F HA -0.309 4.220 4.527 0.003 0.000 0.297 213 F C 2.336 178.411 175.800 0.457 0.000 1.099 213 F CA 2.568 60.774 58.000 0.342 0.000 1.220 213 F CB -0.545 38.721 39.000 0.443 0.000 0.972 213 F HN 0.298 nan 8.300 nan 0.000 0.487 214 Y N 1.124 121.543 120.300 0.197 0.000 2.114 214 Y HA -0.279 4.272 4.550 0.003 0.000 0.282 214 Y C 2.576 178.536 175.900 0.100 0.000 1.165 214 Y CA 2.428 60.602 58.100 0.123 0.000 1.148 214 Y CB -0.551 37.953 38.460 0.074 0.000 0.972 214 Y HN 0.066 nan 8.280 nan 0.000 0.504 215 R N -1.181 119.359 120.500 0.068 0.000 2.062 215 R HA -0.131 4.211 4.340 0.003 0.000 0.229 215 R C 2.207 178.437 176.300 -0.116 0.000 1.128 215 R CA 1.354 57.416 56.100 -0.063 0.000 0.960 215 R CB -1.038 29.297 30.300 0.058 0.000 0.855 215 R HN 0.396 nan 8.270 nan 0.000 0.432 216 F N 0.922 120.775 119.950 -0.163 0.000 2.048 216 F HA -0.344 4.185 4.527 0.003 0.000 0.296 216 F C 2.226 177.877 175.800 -0.248 0.000 1.109 216 F CA 2.042 59.935 58.000 -0.178 0.000 1.214 216 F CB -0.625 38.311 39.000 -0.107 0.000 0.963 216 F HN 0.144 nan 8.300 nan 0.000 0.491 217 W N 0.560 121.538 121.300 -0.536 0.000 2.381 217 W HA -0.151 4.511 4.660 0.002 0.000 0.301 217 W C 2.702 178.913 176.519 -0.515 0.000 1.205 217 W CA 2.486 59.474 57.345 -0.595 0.000 1.285 217 W CB -1.012 28.018 29.460 -0.715 0.000 1.133 217 W HN 0.103 nan 8.180 nan 0.000 0.521 218 T N 0.010 114.168 114.554 -0.660 0.000 2.812 218 T HA -0.215 4.137 4.350 0.003 0.000 0.264 218 T C 1.753 175.837 174.700 -1.028 0.000 1.042 218 T CA 2.046 63.571 62.100 -0.959 0.000 1.140 218 T CB -0.258 68.135 68.868 -0.791 0.000 0.870 218 T HN 0.313 nan 8.240 nan 0.000 0.445 219 Q N -0.208 119.114 119.800 -0.797 0.000 2.170 219 Q HA 0.013 4.355 4.340 0.003 0.000 0.203 219 Q C 2.492 178.164 176.000 -0.546 0.000 0.976 219 Q CA 1.396 56.786 55.803 -0.688 0.000 0.858 219 Q CB -0.460 28.045 28.738 -0.388 0.000 0.907 219 Q HN 0.637 nan 8.270 nan 0.000 0.433 220 G N 0.714 109.142 108.800 -0.619 0.000 2.422 220 G HA2 -0.210 3.752 3.960 0.003 0.000 0.218 220 G HA3 -0.210 3.752 3.960 0.003 0.000 0.218 220 G C 1.365 175.990 174.900 -0.459 0.000 1.146 220 G CA 0.564 45.322 45.100 -0.570 0.000 0.769 220 G HN 0.253 nan 8.290 nan 0.000 0.547 221 I N 0.028 120.296 120.570 -0.504 0.000 2.252 221 I HA -0.090 4.082 4.170 0.003 0.000 0.245 221 I C 2.405 178.501 176.117 -0.036 0.000 1.102 221 I CA 0.613 61.745 61.300 -0.280 0.000 1.385 221 I CB -0.348 37.451 38.000 -0.335 0.000 1.064 221 I HN -0.001 nan 8.210 nan 0.000 0.414 222 F N 1.614 121.431 119.950 -0.222 0.000 2.069 222 F HA -0.198 4.330 4.527 0.003 0.000 0.298 222 F C 2.777 178.481 175.800 -0.160 0.000 1.113 222 F CA 1.122 59.036 58.000 -0.142 0.000 1.214 222 F CB -1.539 37.379 39.000 -0.136 0.000 0.978 222 F HN 0.042 nan 8.300 nan 0.000 0.474 223 A N -0.401 122.412 122.820 -0.013 0.000 2.019 223 A HA -0.201 4.121 4.320 0.003 0.000 0.219 223 A C 2.265 179.705 177.584 -0.241 0.000 1.164 223 A CA 1.695 53.661 52.037 -0.118 0.000 0.644 223 A CB -0.692 18.209 19.000 -0.165 0.000 0.805 223 A HN 0.265 nan 8.150 nan 0.000 0.449 224 R N -1.369 118.898 120.500 -0.387 0.000 2.090 224 R HA -0.073 4.268 4.340 0.003 0.000 0.228 224 R C -0.187 175.544 176.300 -0.948 0.000 1.110 224 R CA 0.963 56.603 56.100 -0.766 0.000 0.973 224 R CB -0.221 29.482 30.300 -0.995 0.000 0.869 224 R HN 0.623 nan 8.270 nan 0.000 0.440 225 W N -0.492 120.782 121.300 -0.044 0.000 2.165 225 W HA 0.308 4.970 4.660 0.003 0.000 0.288 225 W C 0.678 177.167 176.519 -0.051 0.000 0.900 225 W CA -0.696 56.622 57.345 -0.046 0.000 1.914 225 W CB 0.890 30.325 29.460 -0.042 0.000 2.091 225 W HN -0.093 nan 8.180 nan 0.000 0.399 226 T N 0.561 115.164 114.554 0.082 0.000 2.904 226 T HA -0.201 4.151 4.350 0.003 0.000 0.267 226 T C 1.635 176.351 174.700 0.026 0.000 1.059 226 T CA 2.256 64.369 62.100 0.021 0.000 1.137 226 T CB 0.006 68.860 68.868 -0.023 0.000 0.879 226 T HN 0.365 nan 8.240 nan 0.000 0.467 227 D N 0.329 120.763 120.400 0.057 0.000 2.363 227 D HA -0.013 4.628 4.640 0.003 0.000 0.226 227 D C 0.652 176.966 176.300 0.023 0.000 1.020 227 D CA 0.069 54.088 54.000 0.032 0.000 0.892 227 D CB -0.753 40.068 40.800 0.034 0.000 0.900 227 D HN 0.228 nan 8.370 nan 0.000 0.531 228 N N 1.457 120.184 118.700 0.045 0.000 2.420 228 N HA 0.120 4.861 4.740 0.003 0.000 0.249 228 N C -1.818 173.671 175.510 -0.035 0.000 1.033 228 N CA -1.785 51.270 53.050 0.009 0.000 0.944 228 N CB 1.537 40.044 38.487 0.033 0.000 1.113 228 N HN -0.074 nan 8.380 nan 0.000 0.502 229 P HA 0.140 nan 4.420 nan 0.000 0.249 229 P C -0.383 176.867 177.300 -0.084 0.000 1.229 229 P CA 0.333 63.388 63.100 -0.077 0.000 0.788 229 P CB 0.507 32.173 31.700 -0.056 0.000 1.072 230 N N 0.126 118.786 118.700 -0.065 0.000 2.282 230 N HA 0.209 4.951 4.740 0.003 0.000 0.240 230 N C 0.269 175.755 175.510 -0.040 0.000 1.182 230 N CA -0.225 52.795 53.050 -0.050 0.000 0.874 230 N CB 0.758 39.222 38.487 -0.037 0.000 1.126 230 N HN 0.255 nan 8.380 nan 0.000 0.516 231 I N 1.285 121.817 120.570 -0.065 0.000 2.416 231 I HA 0.037 4.208 4.170 0.003 0.000 0.288 231 I C 1.089 177.217 176.117 0.017 0.000 1.051 231 I CA -0.377 60.918 61.300 -0.008 0.000 1.375 231 I CB 0.800 38.806 38.000 0.009 0.000 1.407 231 I HN -0.015 nan 8.210 nan 0.000 0.516 232 E N 5.491 125.748 120.200 0.094 0.000 2.465 232 E HA -0.130 4.222 4.350 0.003 0.000 0.260 232 E C -0.279 176.472 176.600 0.251 0.000 0.980 232 E CA -0.293 56.189 56.400 0.136 0.000 0.927 232 E CB 0.538 30.324 29.700 0.143 0.000 0.934 232 E HN 0.406 nan 8.360 nan 0.000 0.459 233 D N 5.348 125.877 120.400 0.214 0.000 2.498 233 D HA 0.017 4.658 4.640 0.003 0.000 0.229 233 D C 0.745 177.198 176.300 0.254 0.000 1.188 233 D CA 0.141 54.330 54.000 0.315 0.000 1.028 233 D CB 0.057 40.963 40.800 0.177 0.000 1.087 233 D HN 0.550 nan 8.370 nan 0.000 0.510 234 L N 3.070 124.433 121.223 0.234 0.000 2.313 234 L HA -0.089 4.253 4.340 0.003 0.000 0.214 234 L C 2.072 179.111 176.870 0.282 0.000 1.119 234 L CA 0.056 55.054 54.840 0.263 0.000 0.809 234 L CB -0.031 42.175 42.059 0.246 0.000 0.933 234 L HN 0.434 nan 8.230 nan 0.000 0.449 235 I N 0.041 120.702 120.570 0.152 0.000 2.179 235 I HA -0.330 3.842 4.170 0.003 0.000 0.242 235 I C 2.570 178.800 176.117 0.189 0.000 1.088 235 I CA 1.621 63.023 61.300 0.169 0.000 1.357 235 I CB -0.939 37.113 38.000 0.087 0.000 1.051 235 I HN 0.433 nan 8.210 nan 0.000 0.409 236 Q N 0.844 120.734 119.800 0.151 0.000 2.084 236 Q HA -0.180 4.162 4.340 0.003 0.000 0.202 236 Q C 2.336 178.381 176.000 0.074 0.000 0.978 236 Q CA 2.095 57.958 55.803 0.100 0.000 0.844 236 Q CB -0.047 28.733 28.738 0.072 0.000 0.898 236 Q HN 0.455 nan 8.270 nan 0.000 0.426 237 A N 0.960 123.809 122.820 0.048 0.000 1.884 237 A HA -0.358 3.964 4.320 0.003 0.000 0.219 237 A C 2.042 179.726 177.584 0.167 0.000 1.197 237 A CA 2.074 54.026 52.037 -0.141 0.000 0.637 237 A CB -1.109 17.736 19.000 -0.258 0.000 0.827 237 A HN 0.667 nan 8.150 nan 0.000 0.450 238 Q N -0.896 119.146 119.800 0.403 0.000 2.096 238 Q HA -0.277 4.064 4.340 0.003 0.000 0.204 238 Q C 2.264 178.489 176.000 0.374 0.000 0.982 238 Q CA 1.991 58.074 55.803 0.467 0.000 0.850 238 Q CB -0.168 28.688 28.738 0.197 0.000 0.901 238 Q HN 0.839 nan 8.270 nan 0.000 0.422 239 Q N -0.295 119.639 119.800 0.223 0.000 2.167 239 Q HA -0.146 4.195 4.340 0.003 0.000 0.202 239 Q C 1.598 177.664 176.000 0.110 0.000 0.970 239 Q CA 1.354 57.251 55.803 0.157 0.000 0.855 239 Q CB 0.146 28.946 28.738 0.103 0.000 0.911 239 Q HN 0.489 nan 8.270 nan 0.000 0.438 240 E N -0.442 119.774 120.200 0.026 0.000 2.318 240 E HA -0.008 4.344 4.350 0.003 0.000 0.193 240 E C 0.122 176.507 176.600 -0.358 0.000 0.998 240 E CA 0.372 56.650 56.400 -0.204 0.000 0.859 240 E CB 0.439 29.922 29.700 -0.363 0.000 0.812 240 E HN 0.350 nan 8.360 nan 0.000 0.492 241 H N 0.626 119.814 119.070 0.197 0.000 2.448 241 H HA 0.142 4.700 4.556 0.003 0.000 0.237 241 H C -1.955 173.722 175.328 0.581 0.000 1.391 241 H CA -1.616 54.621 56.048 0.315 0.000 1.477 241 H CB 1.130 30.962 29.762 0.116 0.000 1.520 241 H HN 0.091 nan 8.280 nan 0.000 0.502 242 P HA 0.043 nan 4.420 nan 0.000 0.245 242 P C 0.317 177.665 177.300 0.081 0.000 1.206 242 P CA 0.386 63.609 63.100 0.206 0.000 0.781 242 P CB 1.266 33.098 31.700 0.220 0.000 0.994 243 L N -1.351 119.988 121.223 0.193 0.000 2.303 243 L HA 0.421 4.763 4.340 0.003 0.000 0.266 243 L C 0.314 177.088 176.870 -0.161 0.000 1.011 243 L CA -1.369 53.501 54.840 0.049 0.000 0.818 243 L CB 1.059 43.165 42.059 0.079 0.000 1.326 243 L HN -0.283 nan 8.230 nan 0.000 0.435 244 F N 2.978 122.494 119.950 -0.724 0.000 2.626 244 F HA 0.044 4.572 4.527 0.002 0.000 0.368 244 F C 0.427 176.172 175.800 -0.092 0.000 1.227 244 F CA -0.932 56.675 58.000 -0.655 0.000 1.302 244 F CB -0.925 37.752 39.000 -0.539 0.000 1.733 244 F HN 0.503 nan 8.300 nan 0.000 0.672 245 D N 0.195 120.522 120.400 -0.122 0.000 2.560 245 D HA 0.108 4.750 4.640 0.003 0.000 0.277 245 D C 0.851 177.052 176.300 -0.164 0.000 1.194 245 D CA -0.421 53.525 54.000 -0.090 0.000 1.092 245 D CB 0.181 41.046 40.800 0.108 0.000 1.169 245 D HN 0.105 nan 8.370 nan 0.000 0.607 246 D N -1.094 119.256 120.400 -0.083 0.000 2.218 246 D HA -0.111 4.530 4.640 0.003 0.000 0.204 246 D C 1.606 177.833 176.300 -0.121 0.000 0.976 246 D CA 0.668 54.608 54.000 -0.100 0.000 0.853 246 D CB -0.284 40.492 40.800 -0.040 0.000 0.939 246 D HN 0.321 nan 8.370 nan 0.000 0.481 247 F N 0.038 119.771 119.950 -0.362 0.000 2.075 247 F HA -0.182 4.347 4.527 0.003 0.000 0.297 247 F C 1.990 177.585 175.800 -0.341 0.000 1.113 247 F CA 1.568 59.243 58.000 -0.542 0.000 1.218 247 F CB -0.441 37.822 39.000 -1.228 0.000 0.984 247 F HN -0.061 nan 8.300 nan 0.000 0.472 248 W N 0.728 122.042 121.300 0.024 0.000 2.518 248 W HA 0.006 4.668 4.660 0.002 0.000 0.273 248 W C 2.311 178.814 176.519 -0.026 0.000 1.247 248 W CA 0.382 57.785 57.345 0.098 0.000 1.288 248 W CB -0.218 29.431 29.460 0.315 0.000 1.107 248 W HN -0.150 nan 8.180 nan 0.000 0.586 249 K N 0.440 120.739 120.400 -0.167 0.000 2.211 249 K HA -0.210 4.111 4.320 0.003 0.000 0.204 249 K C 1.739 178.387 176.600 0.080 0.000 1.047 249 K CA 1.228 57.398 56.287 -0.194 0.000 0.935 249 K CB -0.257 32.038 32.500 -0.341 0.000 0.728 249 K HN 0.300 nan 8.250 nan 0.000 0.452 250 Q N -0.079 119.744 119.800 0.038 0.000 2.435 250 Q HA -0.004 4.338 4.340 0.003 0.000 0.207 250 Q C 0.606 176.792 176.000 0.310 0.000 0.956 250 Q CA 0.525 56.391 55.803 0.105 0.000 0.917 250 Q CB 0.473 29.163 28.738 -0.081 0.000 0.997 250 Q HN 0.073 nan 8.270 nan 0.000 0.497 251 R N 0.435 121.160 120.500 0.374 0.000 2.633 251 R HA 0.170 4.511 4.340 0.003 0.000 0.348 251 R C -0.435 176.235 176.300 0.617 0.000 1.100 251 R CA 0.021 56.489 56.100 0.613 0.000 1.068 251 R CB 0.360 30.989 30.300 0.549 0.000 1.351 251 R HN 0.202 nan 8.270 nan 0.000 0.575 252 Q N 0.955 121.027 119.800 0.454 0.000 2.341 252 Q HA 0.278 4.620 4.340 0.003 0.000 0.268 252 Q C -0.869 175.075 176.000 -0.094 0.000 1.013 252 Q CA -0.454 55.486 55.803 0.229 0.000 0.798 252 Q CB 1.911 30.861 28.738 0.352 0.000 1.253 252 Q HN -0.101 nan 8.270 nan 0.000 0.457 253 V N 6.240 125.878 119.914 -0.460 0.000 2.585 253 V HA 0.141 4.263 4.120 0.003 0.000 0.296 253 V C -1.987 173.874 176.094 -0.388 0.000 1.035 253 V CA -1.106 60.671 62.300 -0.872 0.000 1.084 253 V CB 0.851 32.149 31.823 -0.876 0.000 0.953 253 V HN 0.784 nan 8.190 nan 0.000 0.483 254 P HA 0.179 nan 4.420 nan 0.000 0.249 254 P C 0.810 178.048 177.300 -0.104 0.000 1.737 254 P CA 0.106 63.139 63.100 -0.113 0.000 1.128 254 P CB 0.029 31.707 31.700 -0.037 0.000 1.942 255 L N 0.914 122.058 121.223 -0.131 0.000 2.131 255 L HA -0.170 4.172 4.340 0.003 0.000 0.210 255 L C 2.249 179.082 176.870 -0.061 0.000 1.092 255 L CA 1.851 56.620 54.840 -0.118 0.000 0.759 255 L CB -0.882 41.058 42.059 -0.199 0.000 0.903 255 L HN 0.284 nan 8.230 nan 0.000 0.435 256 S N -1.011 114.649 115.700 -0.066 0.000 2.555 256 S HA -0.139 4.333 4.470 0.003 0.000 0.230 256 S C 1.679 176.265 174.600 -0.023 0.000 0.978 256 S CA 0.442 58.611 58.200 -0.053 0.000 0.934 256 S CB -0.192 62.968 63.200 -0.066 0.000 0.766 256 S HN 0.514 nan 8.310 nan 0.000 0.533 257 Q N 0.316 120.112 119.800 -0.007 0.000 2.378 257 Q HA 0.274 4.615 4.340 0.003 0.000 0.205 257 Q C 0.059 176.081 176.000 0.038 0.000 0.954 257 Q CA 0.242 56.056 55.803 0.019 0.000 0.901 257 Q CB -0.207 28.552 28.738 0.034 0.000 0.981 257 Q HN 0.616 nan 8.270 nan 0.000 0.483 258 I N 1.839 122.437 120.570 0.047 0.000 2.668 258 I HA -0.111 4.061 4.170 0.003 0.000 0.285 258 I C 1.009 177.158 176.117 0.053 0.000 1.168 258 I CA 0.816 62.161 61.300 0.076 0.000 1.424 258 I CB 0.542 38.627 38.000 0.141 0.000 1.377 258 I HN 0.053 nan 8.210 nan 0.000 0.560 259 K N 3.032 123.464 120.400 0.054 0.000 2.412 259 K HA 0.151 4.472 4.320 0.003 0.000 0.202 259 K C 0.315 176.947 176.600 0.053 0.000 1.102 259 K CA -0.008 56.305 56.287 0.043 0.000 1.027 259 K CB 0.605 33.127 32.500 0.036 0.000 0.931 259 K HN 0.575 nan 8.250 nan 0.000 0.557 260 T N 3.743 118.332 114.554 0.059 0.000 2.926 260 T HA 0.096 4.448 4.350 0.003 0.000 0.307 260 T C -2.571 172.172 174.700 0.072 0.000 1.059 260 T CA -0.934 61.197 62.100 0.051 0.000 1.122 260 T CB 0.753 69.650 68.868 0.048 0.000 0.972 260 T HN -0.117 nan 8.240 nan 0.000 0.545 261 P HA 0.232 nan 4.420 nan 0.000 0.267 261 P C -1.036 176.455 177.300 0.319 0.000 1.205 261 P CA -0.380 62.747 63.100 0.045 0.000 0.765 261 P CB 0.373 31.746 31.700 -0.545 0.000 0.828 262 L N 5.387 126.881 121.223 0.451 0.000 2.381 262 L HA 0.574 4.916 4.340 0.003 0.000 0.274 262 L C -1.635 175.388 176.870 0.254 0.000 0.988 262 L CA -0.798 54.241 54.840 0.332 0.000 0.824 262 L CB 1.585 43.797 42.059 0.256 0.000 1.263 262 L HN 0.100 nan 8.230 nan 0.000 0.410 263 L N 4.888 125.995 121.223 -0.193 0.000 2.316 263 L HA 0.671 5.012 4.340 0.003 0.000 0.280 263 L C -0.563 176.210 176.870 -0.161 0.000 1.006 263 L CA 0.337 54.974 54.840 -0.338 0.000 0.836 263 L CB 1.473 42.888 42.059 -1.073 0.000 1.221 263 L HN 0.734 nan 8.230 nan 0.000 0.418 264 T N 3.675 118.189 114.554 -0.065 0.000 2.859 264 T HA 0.355 4.706 4.350 0.003 0.000 0.281 264 T C -0.798 173.665 174.700 -0.396 0.000 1.005 264 T CA -0.317 61.697 62.100 -0.143 0.000 1.025 264 T CB 1.141 70.051 68.868 0.070 0.000 0.977 264 T HN 0.701 nan 8.240 nan 0.000 0.458 265 C N 3.577 122.502 119.300 -0.626 0.000 2.298 265 C HA 0.850 5.312 4.460 0.003 0.000 0.323 265 C C 0.398 174.941 174.990 -0.745 0.000 1.284 265 C CA -0.404 58.059 59.018 -0.925 0.000 1.577 265 C CB -1.462 25.129 27.740 -1.916 0.000 2.249 265 C HN 1.035 nan 8.230 nan 0.000 0.497 266 A N 4.437 126.744 122.820 -0.855 0.000 2.299 266 A HA 0.877 5.199 4.320 0.003 0.000 0.332 266 A C -0.351 176.665 177.584 -0.946 0.000 1.131 266 A CA -0.336 51.139 52.037 -0.938 0.000 0.844 266 A CB 1.418 19.442 19.000 -1.626 0.000 1.251 266 A HN 1.019 nan 8.150 nan 0.000 0.486 267 S N -0.996 114.254 115.700 -0.751 0.000 2.547 267 S HA 0.427 4.899 4.470 0.003 0.000 0.281 267 S C -0.134 174.234 174.600 -0.386 0.000 1.118 267 S CA -0.616 57.110 58.200 -0.791 0.000 0.947 267 S CB 0.508 63.301 63.200 -0.678 0.000 1.053 267 S HN 0.666 nan 8.310 nan 0.000 0.482 268 W N 2.270 123.413 121.300 -0.261 0.000 2.465 268 W HA -0.029 4.633 4.660 0.003 0.000 0.268 268 W C 2.033 178.491 176.519 -0.101 0.000 1.242 268 W CA 0.269 57.520 57.345 -0.157 0.000 1.248 268 W CB 0.019 29.353 29.460 -0.211 0.000 1.118 268 W HN 0.571 nan 8.180 nan 0.000 0.587 269 S N -0.881 114.862 115.700 0.072 0.000 2.561 269 S HA -0.048 4.424 4.470 0.003 0.000 0.225 269 S C 1.077 175.744 174.600 0.112 0.000 0.977 269 S CA 0.917 59.170 58.200 0.088 0.000 0.926 269 S CB -0.136 63.085 63.200 0.035 0.000 0.769 269 S HN 0.105 nan 8.310 nan 0.000 0.533 270 T N 2.222 116.819 114.554 0.072 0.000 3.266 270 T HA 0.196 4.548 4.350 0.003 0.000 0.278 270 T C -0.054 174.629 174.700 -0.028 0.000 1.010 270 T CA -0.245 61.881 62.100 0.044 0.000 0.909 270 T CB 0.196 69.048 68.868 -0.028 0.000 1.122 270 T HN 0.353 nan 8.240 nan 0.000 0.536 271 Q N 0.724 120.585 119.800 0.102 0.000 2.271 271 Q HA 0.416 4.758 4.340 0.003 0.000 0.273 271 Q C 1.249 177.345 176.000 0.160 0.000 1.051 271 Q CA 0.696 56.572 55.803 0.121 0.000 0.901 271 Q CB 0.591 29.418 28.738 0.148 0.000 1.174 271 Q HN 0.529 nan 8.270 nan 0.000 0.385 272 G N 1.581 110.417 108.800 0.061 0.000 2.201 272 G HA2 -0.224 3.738 3.960 0.003 0.000 0.212 272 G HA3 -0.224 3.738 3.960 0.003 0.000 0.212 272 G C -0.281 174.428 174.900 -0.318 0.000 0.994 272 G CA 0.235 45.307 45.100 -0.046 0.000 0.644 272 G HN 0.511 nan 8.290 nan 0.000 0.508 273 L N -1.666 119.203 121.223 -0.590 0.000 3.878 273 L HA 0.602 4.944 4.340 0.003 0.000 0.207 273 L C 1.800 178.404 176.870 -0.445 0.000 1.209 273 L CA 0.553 54.968 54.840 -0.709 0.000 1.453 273 L CB -0.485 40.781 42.059 -1.322 0.000 1.818 273 L HN -0.004 nan 8.230 nan 0.000 0.806 274 H N 0.468 119.398 119.070 -0.233 0.000 2.548 274 H HA 0.123 4.681 4.556 0.003 0.000 0.268 274 H C 1.533 176.786 175.328 -0.125 0.000 0.975 274 H CA 0.799 56.754 56.048 -0.155 0.000 1.195 274 H CB -0.251 29.432 29.762 -0.132 0.000 1.397 274 H HN 0.435 nan 8.280 nan 0.000 0.572 275 N N 2.128 120.823 118.700 -0.008 0.000 2.025 275 N HA -0.182 4.560 4.740 0.003 0.000 0.194 275 N C 2.080 177.668 175.510 0.131 0.000 1.044 275 N CA 1.055 54.133 53.050 0.046 0.000 0.851 275 N CB 0.001 38.534 38.487 0.077 0.000 1.036 275 N HN 0.288 nan 8.380 nan 0.000 0.422 276 R N -0.247 120.295 120.500 0.071 0.000 2.103 276 R HA -0.104 4.238 4.340 0.003 0.000 0.242 276 R C 2.242 178.562 176.300 0.034 0.000 1.142 276 R CA 1.911 58.044 56.100 0.055 0.000 0.960 276 R CB -0.652 29.631 30.300 -0.029 0.000 0.858 276 R HN 0.369 nan 8.270 nan 0.000 0.439 277 G N -1.055 107.721 108.800 -0.041 0.000 2.430 277 G HA2 -0.146 3.816 3.960 0.003 0.000 0.216 277 G HA3 -0.146 3.816 3.960 0.003 0.000 0.216 277 G C 1.359 176.124 174.900 -0.225 0.000 1.146 277 G CA 0.548 45.558 45.100 -0.150 0.000 0.793 277 G HN 0.333 nan 8.290 nan 0.000 0.537 278 S N 0.820 116.452 115.700 -0.113 0.000 2.383 278 S HA -0.090 4.382 4.470 0.003 0.000 0.229 278 S C 1.935 176.407 174.600 -0.214 0.000 1.030 278 S CA 1.017 59.146 58.200 -0.118 0.000 1.002 278 S CB -0.359 62.689 63.200 -0.254 0.000 0.829 278 S HN 0.325 nan 8.310 nan 0.000 0.467 279 F N 1.691 121.552 119.950 -0.149 0.000 2.149 279 F HA 0.041 4.570 4.527 0.003 0.000 0.294 279 F C 2.581 178.377 175.800 -0.007 0.000 1.095 279 F CA 0.793 58.725 58.000 -0.114 0.000 1.276 279 F CB -0.390 38.509 39.000 -0.169 0.000 1.023 279 F HN 0.031 nan 8.300 nan 0.000 0.480 280 E N 0.183 120.443 120.200 0.100 0.000 2.118 280 E HA -0.151 4.201 4.350 0.003 0.000 0.195 280 E C 2.555 179.029 176.600 -0.210 0.000 0.992 280 E CA 1.160 57.562 56.400 0.004 0.000 0.804 280 E CB -1.084 28.609 29.700 -0.012 0.000 0.741 280 E HN 0.425 nan 8.360 nan 0.000 0.458 281 G N 0.247 108.730 108.800 -0.529 0.000 2.418 281 G HA2 -0.268 3.693 3.960 0.003 0.000 0.217 281 G HA3 -0.268 3.693 3.960 0.003 0.000 0.217 281 G C 1.532 176.234 174.900 -0.329 0.000 1.158 281 G CA 0.654 45.070 45.100 -1.140 0.000 0.771 281 G HN 0.306 nan 8.290 nan 0.000 0.545 282 F N 1.483 121.372 119.950 -0.102 0.000 2.128 282 F HA 0.133 4.662 4.527 0.004 0.000 0.295 282 F C 2.671 178.506 175.800 0.057 0.000 1.100 282 F CA 1.551 59.594 58.000 0.072 0.000 1.260 282 F CB -0.106 38.917 39.000 0.038 0.000 1.009 282 F HN -0.006 nan 8.300 nan 0.000 0.476 283 K N -0.097 120.348 120.400 0.074 0.000 2.020 283 K HA -0.238 4.084 4.320 0.003 0.000 0.212 283 K C 2.004 178.513 176.600 -0.151 0.000 1.050 283 K CA 2.215 58.492 56.287 -0.016 0.000 0.929 283 K CB -0.385 32.217 32.500 0.170 0.000 0.714 283 K HN 0.455 nan 8.250 nan 0.000 0.443 284 Q N -0.192 119.530 119.800 -0.131 0.000 2.398 284 Q HA 0.135 4.477 4.340 0.003 0.000 0.204 284 Q C 0.201 176.124 176.000 -0.129 0.000 0.932 284 Q CA -0.236 55.488 55.803 -0.132 0.000 0.916 284 Q CB 0.492 29.153 28.738 -0.128 0.000 1.024 284 Q HN 0.201 nan 8.270 nan 0.000 0.504 285 A N 0.776 123.520 122.820 -0.126 0.000 2.511 285 A HA 0.301 4.623 4.320 0.003 0.000 0.242 285 A C 1.023 178.555 177.584 -0.087 0.000 1.069 285 A CA 0.586 52.590 52.037 -0.055 0.000 0.763 285 A CB 0.325 19.352 19.000 0.046 0.000 1.001 285 A HN 0.375 nan 8.150 nan 0.000 0.498 286 A N 2.368 125.160 122.820 -0.047 0.000 2.208 286 A HA 0.267 4.589 4.320 0.003 0.000 0.209 286 A C 1.214 178.773 177.584 -0.042 0.000 1.161 286 A CA 0.583 52.590 52.037 -0.051 0.000 0.782 286 A CB -0.553 18.430 19.000 -0.029 0.000 0.816 286 A HN 0.863 nan 8.150 nan 0.000 0.477 287 S N 1.541 117.229 115.700 -0.021 0.000 3.074 287 S HA -0.068 4.404 4.470 0.003 0.000 0.359 287 S C 0.868 175.446 174.600 -0.037 0.000 1.207 287 S CA 0.280 58.481 58.200 0.001 0.000 1.061 287 S CB 0.209 63.435 63.200 0.042 0.000 0.769 287 S HN 0.613 nan 8.310 nan 0.000 0.512 288 E N 2.287 122.484 120.200 -0.005 0.000 2.204 288 E HA -0.124 4.227 4.350 0.003 0.000 0.194 288 E C 0.034 176.613 176.600 -0.035 0.000 0.989 288 E CA 0.832 57.220 56.400 -0.020 0.000 0.824 288 E CB 0.152 29.871 29.700 0.032 0.000 0.756 288 E HN 0.713 nan 8.360 nan 0.000 0.477 289 E N 1.604 121.825 120.200 0.034 0.000 2.101 289 E HA 0.192 4.544 4.350 0.003 0.000 0.260 289 E C -0.655 175.921 176.600 -0.041 0.000 0.897 289 E CA -0.329 56.082 56.400 0.019 0.000 0.744 289 E CB 0.884 30.840 29.700 0.426 0.000 1.140 289 E HN 0.060 nan 8.360 nan 0.000 0.419 290 K N 1.904 122.087 120.400 -0.361 0.000 2.498 290 K HA 0.530 4.851 4.320 0.003 0.000 0.254 290 K C -1.273 175.381 176.600 0.090 0.000 0.933 290 K CA -0.980 55.332 56.287 0.042 0.000 0.806 290 K CB 2.180 34.706 32.500 0.044 0.000 1.301 290 K HN 0.263 nan 8.250 nan 0.000 0.432 291 W N 2.605 124.233 121.300 0.547 0.000 3.022 291 W HA 0.466 5.127 4.660 0.002 0.000 0.335 291 W C -1.386 175.173 176.519 0.066 0.000 1.133 291 W CA -1.044 56.524 57.345 0.372 0.000 1.219 291 W CB 2.285 31.939 29.460 0.322 0.000 1.409 291 W HN 0.478 nan 8.180 nan 0.000 0.507 292 L N 3.481 124.674 121.223 -0.049 0.000 2.385 292 L HA 0.512 4.854 4.340 0.003 0.000 0.273 292 L C -1.780 174.977 176.870 -0.188 0.000 0.990 292 L CA -0.755 53.830 54.840 -0.425 0.000 0.821 292 L CB 1.602 42.949 42.059 -1.186 0.000 1.279 292 L HN 0.280 nan 8.230 nan 0.000 0.412 293 Y N 5.156 125.240 120.300 -0.360 0.000 2.328 293 Y HA 0.756 5.308 4.550 0.002 0.000 0.336 293 Y C -1.383 174.266 175.900 -0.418 0.000 0.960 293 Y CA -0.843 57.090 58.100 -0.278 0.000 1.134 293 Y CB 1.588 39.900 38.460 -0.248 0.000 1.166 293 Y HN 0.392 nan 8.280 nan 0.000 0.464 294 V N 7.135 126.523 119.914 -0.878 0.000 2.531 294 V HA 0.457 4.579 4.120 0.003 0.000 0.301 294 V C -0.956 174.581 176.094 -0.927 0.000 1.034 294 V CA -0.668 61.028 62.300 -1.007 0.000 0.865 294 V CB 1.341 32.550 31.823 -1.022 0.000 0.995 294 V HN 0.926 nan 8.190 nan 0.000 0.424 295 H N 1.128 119.686 119.070 -0.854 0.000 2.946 295 H HA 0.802 5.360 4.556 0.003 0.000 0.365 295 H C 0.233 175.335 175.328 -0.377 0.000 1.197 295 H CA -0.471 55.282 56.048 -0.493 0.000 1.131 295 H CB 2.166 31.812 29.762 -0.193 0.000 1.849 295 H HN 0.615 nan 8.280 nan 0.000 0.555 296 G N 0.913 109.698 108.800 -0.025 0.000 3.936 296 G HA2 0.245 4.206 3.960 0.003 0.000 0.296 296 G HA3 0.245 4.206 3.960 0.003 0.000 0.296 296 G C -0.129 174.767 174.900 -0.007 0.000 1.121 296 G CA -0.476 44.648 45.100 0.041 0.000 0.899 296 G HN 0.340 nan 8.290 nan 0.000 0.542 297 R N 0.096 120.706 120.500 0.184 0.000 3.067 297 R HA 0.547 4.888 4.340 0.003 0.000 0.222 297 R C -0.246 176.191 176.300 0.229 0.000 1.551 297 R CA -0.795 55.267 56.100 -0.064 0.000 1.034 297 R CB 0.166 30.280 30.300 -0.311 0.000 1.889 297 R HN 0.032 nan 8.270 nan 0.000 0.526 298 K N 1.136 121.710 120.400 0.290 0.000 2.118 298 K HA 0.126 4.448 4.320 0.003 0.000 0.264 298 K C 1.062 177.867 176.600 0.342 0.000 1.000 298 K CA -0.278 56.196 56.287 0.310 0.000 0.929 298 K CB 1.332 34.102 32.500 0.451 0.000 1.021 298 K HN 0.498 nan 8.250 nan 0.000 0.463 299 E N 2.188 122.566 120.200 0.297 0.000 2.000 299 E HA -0.198 4.154 4.350 0.003 0.000 0.199 299 E C 1.047 177.722 176.600 0.126 0.000 1.011 299 E CA 1.595 58.082 56.400 0.145 0.000 0.836 299 E CB 0.065 29.657 29.700 -0.181 0.000 0.778 299 E HN 0.625 nan 8.360 nan 0.000 0.462 300 W N 1.023 122.530 121.300 0.346 0.000 2.381 300 W HA -0.117 4.545 4.660 0.003 0.000 0.301 300 W C 2.244 178.940 176.519 0.295 0.000 1.205 300 W CA 1.030 58.545 57.345 0.282 0.000 1.285 300 W CB -0.838 28.791 29.460 0.282 0.000 1.133 300 W HN 0.441 nan 8.180 nan 0.000 0.521 301 E N 0.434 120.911 120.200 0.462 0.000 2.108 301 E HA -0.243 4.108 4.350 0.003 0.000 0.203 301 E C 2.024 178.738 176.600 0.190 0.000 1.022 301 E CA 2.429 59.012 56.400 0.305 0.000 0.823 301 E CB -0.153 29.714 29.700 0.278 0.000 0.744 301 E HN -0.011 nan 8.360 nan 0.000 0.456 302 S N -0.897 114.891 115.700 0.146 0.000 2.425 302 S HA -0.077 4.394 4.470 0.003 0.000 0.225 302 S C 1.411 176.000 174.600 -0.017 0.000 1.024 302 S CA 0.515 58.726 58.200 0.018 0.000 0.951 302 S CB -0.323 62.736 63.200 -0.234 0.000 0.796 302 S HN 0.420 nan 8.310 nan 0.000 0.498 303 Y N 1.353 121.500 120.300 -0.255 0.000 2.165 303 Y HA -0.187 4.364 4.550 0.002 0.000 0.286 303 Y C 1.328 176.767 175.900 -0.768 0.000 1.155 303 Y CA 1.402 58.943 58.100 -0.932 0.000 1.164 303 Y CB -0.319 37.533 38.460 -1.014 0.000 0.978 303 Y HN 0.276 nan 8.280 nan 0.000 0.513 304 Y N -0.151 119.972 120.300 -0.295 0.000 2.457 304 Y HA 0.454 5.006 4.550 0.003 0.000 0.263 304 Y C 1.260 176.946 175.900 -0.357 0.000 1.164 304 Y CA -0.286 57.590 58.100 -0.374 0.000 1.274 304 Y CB -0.728 37.647 38.460 -0.142 0.000 1.097 304 Y HN 0.085 nan 8.280 nan 0.000 0.523 305 A N 0.553 123.268 122.820 -0.176 0.000 2.511 305 A HA 0.134 4.455 4.320 0.003 0.000 0.242 305 A C 1.635 179.045 177.584 -0.291 0.000 1.069 305 A CA -0.376 51.556 52.037 -0.176 0.000 0.763 305 A CB 0.377 19.299 19.000 -0.130 0.000 1.001 305 A HN 0.339 nan 8.150 nan 0.000 0.498 306 R N 1.212 121.553 120.500 -0.265 0.000 2.119 306 R HA -0.211 4.131 4.340 0.003 0.000 0.246 306 R C 1.849 177.966 176.300 -0.305 0.000 1.146 306 R CA 2.536 58.445 56.100 -0.319 0.000 0.962 306 R CB -0.657 29.508 30.300 -0.225 0.000 0.863 306 R HN 0.947 nan 8.270 nan 0.000 0.442 307 E N -0.576 119.481 120.200 -0.238 0.000 2.070 307 E HA -0.207 4.144 4.350 0.003 0.000 0.197 307 E C 1.189 177.629 176.600 -0.267 0.000 1.004 307 E CA 1.615 57.883 56.400 -0.220 0.000 0.805 307 E CB -0.090 29.488 29.700 -0.203 0.000 0.744 307 E HN 0.391 nan 8.360 nan 0.000 0.451 308 N N 0.087 118.592 118.700 -0.325 0.000 2.376 308 N HA -0.047 4.695 4.740 0.003 0.000 0.177 308 N C 1.917 177.138 175.510 -0.481 0.000 1.024 308 N CA 0.437 53.264 53.050 -0.371 0.000 0.893 308 N CB -0.021 38.254 38.487 -0.353 0.000 0.980 308 N HN 0.233 nan 8.380 nan 0.000 0.439 309 L N 1.183 122.051 121.223 -0.591 0.000 2.093 309 L HA -0.093 4.249 4.340 0.003 0.000 0.208 309 L C 2.158 178.782 176.870 -0.411 0.000 1.085 309 L CA 1.017 55.397 54.840 -0.766 0.000 0.755 309 L CB -0.174 41.077 42.059 -1.346 0.000 0.904 309 L HN 0.051 nan 8.230 nan 0.000 0.435 310 E N -0.113 119.930 120.200 -0.262 0.000 2.072 310 E HA -0.210 4.142 4.350 0.003 0.000 0.191 310 E C 2.147 178.733 176.600 -0.023 0.000 0.985 310 E CA 0.735 57.097 56.400 -0.062 0.000 0.801 310 E CB -0.211 29.455 29.700 -0.057 0.000 0.750 310 E HN 0.368 nan 8.360 nan 0.000 0.452 311 R N 1.037 121.496 120.500 -0.068 0.000 2.096 311 R HA -0.203 4.139 4.340 0.003 0.000 0.240 311 R C 2.300 178.602 176.300 0.002 0.000 1.139 311 R CA 1.848 57.963 56.100 0.025 0.000 0.952 311 R CB -0.066 30.206 30.300 -0.047 0.000 0.854 311 R HN 0.224 nan 8.270 nan 0.000 0.436 312 Q N 0.075 119.839 119.800 -0.060 0.000 2.061 312 Q HA -0.227 4.115 4.340 0.003 0.000 0.204 312 Q C 2.188 178.256 176.000 0.114 0.000 0.984 312 Q CA 2.020 57.801 55.803 -0.037 0.000 0.846 312 Q CB -0.164 28.584 28.738 0.017 0.000 0.902 312 Q HN 0.286 nan 8.270 nan 0.000 0.421 313 K N 0.171 120.659 120.400 0.146 0.000 2.057 313 K HA -0.147 4.174 4.320 0.003 0.000 0.207 313 K C 2.351 179.088 176.600 0.228 0.000 1.049 313 K CA 1.352 57.773 56.287 0.223 0.000 0.931 313 K CB -0.150 32.374 32.500 0.040 0.000 0.714 313 K HN 0.040 nan 8.250 nan 0.000 0.440 314 S N 0.003 115.790 115.700 0.145 0.000 2.356 314 S HA -0.180 4.292 4.470 0.003 0.000 0.223 314 S C 1.712 176.328 174.600 0.026 0.000 1.032 314 S CA 1.222 59.528 58.200 0.176 0.000 1.005 314 S CB -0.479 62.891 63.200 0.283 0.000 0.867 314 S HN 0.441 nan 8.310 nan 0.000 0.449 315 F N 1.519 121.097 119.950 -0.620 0.000 2.043 315 F HA -0.088 4.441 4.527 0.003 0.000 0.297 315 F C 1.807 177.549 175.800 -0.096 0.000 1.121 315 F CA 1.698 59.057 58.000 -1.069 0.000 1.199 315 F CB -0.706 37.534 39.000 -1.266 0.000 0.968 315 F HN 0.258 nan 8.300 nan 0.000 0.478 316 F N 0.990 120.933 119.950 -0.013 0.000 2.234 316 F HA -0.140 4.389 4.527 0.003 0.000 0.299 316 F C 2.367 178.276 175.800 0.182 0.000 1.087 316 F CA 1.261 59.292 58.000 0.051 0.000 1.340 316 F CB -1.368 37.711 39.000 0.131 0.000 1.031 316 F HN 0.039 nan 8.300 nan 0.000 0.500 317 D N -0.646 120.003 120.400 0.416 0.000 2.144 317 D HA -0.210 4.432 4.640 0.003 0.000 0.199 317 D C 2.168 178.560 176.300 0.153 0.000 0.984 317 D CA 0.964 55.142 54.000 0.298 0.000 0.834 317 D CB -0.580 40.374 40.800 0.256 0.000 0.955 317 D HN 0.253 nan 8.370 nan 0.000 0.465 318 F N -0.329 119.581 119.950 -0.068 0.000 2.128 318 F HA -0.160 4.368 4.527 0.003 0.000 0.295 318 F C 1.855 177.450 175.800 -0.342 0.000 1.100 318 F CA 1.249 59.108 58.000 -0.236 0.000 1.260 318 F CB -0.190 38.595 39.000 -0.358 0.000 1.009 318 F HN -0.083 nan 8.300 nan 0.000 0.476 319 Y N -0.250 120.033 120.300 -0.028 0.000 2.448 319 Y HA 0.091 4.642 4.550 0.001 0.000 0.289 319 Y C 1.959 177.782 175.900 -0.129 0.000 1.114 319 Y CA 0.913 58.935 58.100 -0.131 0.000 1.235 319 Y CB -0.153 38.176 38.460 -0.219 0.000 1.045 319 Y HN 0.015 nan 8.280 nan 0.000 0.554 320 L N -0.997 120.249 121.223 0.038 0.000 2.425 320 L HA 0.070 4.412 4.340 0.003 0.000 0.215 320 L C 1.709 178.556 176.870 -0.038 0.000 1.065 320 L CA 0.624 55.454 54.840 -0.016 0.000 0.842 320 L CB -0.144 41.894 42.059 -0.036 0.000 1.033 320 L HN -0.038 nan 8.230 nan 0.000 0.474 321 K N 0.577 120.961 120.400 -0.028 0.000 2.393 321 K HA 0.067 4.388 4.320 0.003 0.000 0.193 321 K C -0.176 176.357 176.600 -0.111 0.000 1.026 321 K CA 0.020 56.260 56.287 -0.079 0.000 1.064 321 K CB 0.409 32.872 32.500 -0.062 0.000 0.833 321 K HN 0.172 nan 8.250 nan 0.000 0.521 322 E N 1.696 121.796 120.200 -0.167 0.000 2.440 322 E HA -0.225 4.126 4.350 0.003 0.000 0.246 322 E C -0.310 176.130 176.600 -0.267 0.000 1.165 322 E CA 0.566 56.796 56.400 -0.283 0.000 0.726 322 E CB -1.275 28.306 29.700 -0.198 0.000 1.271 322 E HN 0.476 nan 8.360 nan 0.000 0.397 323 E N 0.994 121.076 120.200 -0.197 0.000 2.266 323 E HA 0.179 4.530 4.350 0.003 0.000 0.277 323 E C -0.208 176.371 176.600 -0.036 0.000 1.018 323 E CA -0.735 55.614 56.400 -0.086 0.000 0.840 323 E CB 0.772 30.469 29.700 -0.006 0.000 1.082 323 E HN 0.006 nan 8.360 nan 0.000 0.395 324 N N 4.059 122.766 118.700 0.011 0.000 2.549 324 N HA 0.027 4.769 4.740 0.003 0.000 0.267 324 N C -0.882 174.718 175.510 0.150 0.000 1.182 324 N CA 0.035 53.145 53.050 0.101 0.000 1.019 324 N CB -0.157 38.368 38.487 0.062 0.000 1.380 324 N HN 0.521 nan 8.380 nan 0.000 0.505 325 N N -0.236 118.614 118.700 0.250 0.000 2.592 325 N HA 0.260 5.002 4.740 0.003 0.000 0.292 325 N C -0.255 175.365 175.510 0.183 0.000 1.260 325 N CA -0.568 52.601 53.050 0.199 0.000 0.910 325 N CB 0.709 39.322 38.487 0.210 0.000 1.257 325 N HN -0.079 nan 8.380 nan 0.000 0.569 326 D N -0.482 119.979 120.400 0.102 0.000 2.434 326 D HA -0.011 4.631 4.640 0.003 0.000 0.232 326 D C 0.704 176.946 176.300 -0.096 0.000 1.166 326 D CA -0.167 53.842 54.000 0.015 0.000 0.830 326 D CB -0.305 40.493 40.800 -0.003 0.000 0.960 326 D HN 0.519 nan 8.370 nan 0.000 0.497 327 W N 2.335 123.477 121.300 -0.264 0.000 2.318 327 W HA -0.237 4.424 4.660 0.002 0.000 0.313 327 W C 1.138 177.379 176.519 -0.463 0.000 1.221 327 W CA 0.991 58.088 57.345 -0.413 0.000 1.266 327 W CB 0.060 29.190 29.460 -0.550 0.000 1.150 327 W HN -0.025 nan 8.180 nan 0.000 0.496 328 K N 0.077 120.094 120.400 -0.637 0.000 2.442 328 K HA -0.159 4.163 4.320 0.003 0.000 0.198 328 K C 1.138 177.623 176.600 -0.192 0.000 1.044 328 K CA 1.368 57.482 56.287 -0.288 0.000 0.948 328 K CB -0.355 32.136 32.500 -0.015 0.000 0.762 328 K HN 0.032 nan 8.250 nan 0.000 0.472 329 D N 0.886 121.128 120.400 -0.263 0.000 2.309 329 D HA -0.064 4.578 4.640 0.003 0.000 0.212 329 D C 0.110 176.249 176.300 -0.268 0.000 0.968 329 D CA 0.800 54.684 54.000 -0.193 0.000 0.882 329 D CB -0.206 40.502 40.800 -0.154 0.000 0.918 329 D HN 0.064 nan 8.370 nan 0.000 0.503 330 T N 2.995 117.234 114.554 -0.525 0.000 2.867 330 T HA 0.156 4.507 4.350 0.003 0.000 0.297 330 T C -2.352 172.226 174.700 -0.202 0.000 0.989 330 T CA -1.144 60.632 62.100 -0.540 0.000 1.159 330 T CB 1.018 69.133 68.868 -1.254 0.000 0.928 330 T HN -0.030 nan 8.240 nan 0.000 0.538 331 P HA 0.034 nan 4.420 nan 0.000 0.267 331 P C 0.909 178.234 177.300 0.043 0.000 1.200 331 P CA -0.195 62.878 63.100 -0.045 0.000 0.772 331 P CB 0.424 32.141 31.700 0.029 0.000 0.855 332 H N 0.133 119.312 119.070 0.181 0.000 2.495 332 H HA 0.041 4.599 4.556 0.003 0.000 0.287 332 H C 0.362 175.774 175.328 0.139 0.000 1.033 332 H CA 1.014 57.132 56.048 0.116 0.000 1.307 332 H CB 0.190 29.959 29.762 0.012 0.000 1.401 332 H HN 0.105 nan 8.280 nan 0.000 0.555 333 V N 2.024 122.074 119.914 0.226 0.000 2.483 333 V HA 0.303 4.425 4.120 0.003 0.000 0.297 333 V C -0.070 176.157 176.094 0.221 0.000 1.027 333 V CA -0.560 61.837 62.300 0.161 0.000 0.855 333 V CB 2.640 34.587 31.823 0.206 0.000 0.995 333 V HN 0.013 nan 8.190 nan 0.000 0.424 334 I N 6.009 126.690 120.570 0.185 0.000 2.436 334 I HA 0.619 4.790 4.170 0.003 0.000 0.289 334 I C -1.117 175.116 176.117 0.194 0.000 1.010 334 I CA -0.735 60.687 61.300 0.203 0.000 1.098 334 I CB 1.823 39.974 38.000 0.252 0.000 1.266 334 I HN 0.813 nan 8.210 nan 0.000 0.434 335 Y N 2.782 123.133 120.300 0.086 0.000 2.513 335 Y HA 0.540 5.091 4.550 0.002 0.000 0.340 335 Y C -0.811 175.006 175.900 -0.138 0.000 1.055 335 Y CA -1.236 56.837 58.100 -0.044 0.000 1.020 335 Y CB 0.947 39.444 38.460 0.061 0.000 1.301 335 Y HN 0.541 nan 8.280 nan 0.000 0.453 336 E N 2.457 122.471 120.200 -0.310 0.000 2.289 336 E HA 0.460 4.811 4.350 0.003 0.000 0.278 336 E C -1.305 175.273 176.600 -0.037 0.000 1.032 336 E CA -0.739 55.255 56.400 -0.676 0.000 0.854 336 E CB 1.158 30.314 29.700 -0.908 0.000 1.046 336 E HN 0.663 nan 8.360 nan 0.000 0.409 337 V N 6.362 126.175 119.914 -0.168 0.000 2.334 337 V HA 0.233 4.354 4.120 0.003 0.000 0.267 337 V C 0.202 176.181 176.094 -0.191 0.000 1.040 337 V CA -0.436 61.801 62.300 -0.105 0.000 0.866 337 V CB 0.572 32.365 31.823 -0.050 0.000 1.019 337 V HN 0.672 nan 8.190 nan 0.000 0.468 338 R N 2.765 123.095 120.500 -0.283 0.000 2.442 338 R HA 0.149 4.491 4.340 0.003 0.000 0.291 338 R C 0.549 176.758 176.300 -0.152 0.000 1.069 338 R CA -0.277 55.665 56.100 -0.263 0.000 1.022 338 R CB 0.800 30.773 30.300 -0.545 0.000 0.976 338 R HN 0.675 nan 8.270 nan 0.000 0.443 339 D N 1.176 121.590 120.400 0.023 0.000 2.566 339 D HA 0.009 4.651 4.640 0.003 0.000 0.253 339 D C 0.048 176.498 176.300 0.249 0.000 0.992 339 D CA 1.290 55.334 54.000 0.074 0.000 0.940 339 D CB 0.792 41.608 40.800 0.027 0.000 1.095 339 D HN 0.380 nan 8.370 nan 0.000 0.480 340 Q N -0.924 119.039 119.800 0.272 0.000 2.882 340 Q HA 0.194 4.536 4.340 0.003 0.000 0.315 340 Q C -0.999 175.191 176.000 0.317 0.000 1.004 340 Q CA -1.015 54.892 55.803 0.173 0.000 0.777 340 Q CB 0.974 29.759 28.738 0.078 0.000 1.506 340 Q HN 0.156 nan 8.270 nan 0.000 0.489 341 F N 1.455 121.438 119.950 0.054 0.000 2.571 341 F HA -0.037 4.491 4.527 0.003 0.000 0.384 341 F C -0.066 175.939 175.800 0.342 0.000 1.058 341 F CA 0.603 58.735 58.000 0.221 0.000 1.200 341 F CB -0.046 39.009 39.000 0.093 0.000 1.077 341 F HN 0.523 nan 8.300 nan 0.000 0.558 342 Y N 2.832 122.967 120.300 -0.275 0.000 3.825 342 Y HA -0.291 4.261 4.550 0.003 0.000 0.221 342 Y C 0.221 176.142 175.900 0.035 0.000 1.195 342 Y CA 1.155 59.174 58.100 -0.136 0.000 1.699 342 Y CB -1.300 37.072 38.460 -0.146 0.000 1.531 342 Y HN 0.583 nan 8.280 nan 0.000 0.640 343 K N 0.241 120.710 120.400 0.115 0.000 2.615 343 K HA 0.651 4.972 4.320 0.003 0.000 0.249 343 K C 0.023 176.656 176.600 0.055 0.000 0.977 343 K CA 0.154 56.502 56.287 0.102 0.000 0.833 343 K CB 1.326 33.902 32.500 0.126 0.000 1.208 343 K HN 0.260 nan 8.250 nan 0.000 0.443 344 G N 2.029 110.839 108.800 0.016 0.000 2.489 344 G HA2 0.221 4.182 3.960 0.003 0.000 0.305 344 G HA3 0.221 4.182 3.960 0.003 0.000 0.305 344 G C -1.888 172.987 174.900 -0.042 0.000 1.311 344 G CA -0.592 44.479 45.100 -0.048 0.000 0.813 344 G HN 0.473 nan 8.290 nan 0.000 0.480 345 E N -0.379 119.756 120.200 -0.109 0.000 2.210 345 E HA 0.596 4.948 4.350 0.003 0.000 0.266 345 E C -1.368 175.141 176.600 -0.152 0.000 0.883 345 E CA -0.712 55.661 56.400 -0.044 0.000 0.761 345 E CB 1.475 31.153 29.700 -0.037 0.000 1.156 345 E HN 0.222 nan 8.360 nan 0.000 0.412 346 F N 3.472 123.374 119.950 -0.081 0.000 2.410 346 F HA 0.364 4.892 4.527 0.002 0.000 0.348 346 F C 0.798 176.458 175.800 -0.234 0.000 1.106 346 F CA -0.081 57.835 58.000 -0.140 0.000 1.163 346 F CB 1.014 39.977 39.000 -0.062 0.000 1.129 346 F HN 0.217 nan 8.300 nan 0.000 0.516 347 K N 1.139 121.316 120.400 -0.370 0.000 2.349 347 K HA 0.723 5.045 4.320 0.003 0.000 0.243 347 K C -0.900 175.440 176.600 -0.434 0.000 1.058 347 K CA -1.033 54.980 56.287 -0.457 0.000 0.871 347 K CB 2.107 34.207 32.500 -0.667 0.000 1.337 347 K HN 0.601 nan 8.250 nan 0.000 0.469 348 S N -0.781 114.819 115.700 -0.166 0.000 2.632 348 S HA 0.891 5.363 4.470 0.003 0.000 0.289 348 S C -1.109 173.632 174.600 0.234 0.000 1.115 348 S CA -0.755 57.479 58.200 0.057 0.000 0.889 348 S CB 2.119 65.352 63.200 0.055 0.000 1.116 348 S HN 0.781 nan 8.310 nan 0.000 0.486 349 A N 0.580 123.576 122.820 0.293 0.000 2.609 349 A HA 0.763 5.085 4.320 0.003 0.000 0.291 349 A C 0.366 178.086 177.584 0.228 0.000 1.096 349 A CA -0.158 52.037 52.037 0.264 0.000 0.684 349 A CB 0.821 20.008 19.000 0.311 0.000 1.282 349 A HN 1.689 nan 8.150 nan 0.000 0.412 350 S N -0.546 115.270 115.700 0.193 0.000 2.548 350 S HA 0.568 5.040 4.470 0.003 0.000 0.215 350 S C 0.572 175.295 174.600 0.205 0.000 0.976 350 S CA 0.823 59.153 58.200 0.217 0.000 0.908 350 S CB -0.102 63.194 63.200 0.161 0.000 0.781 350 S HN 2.265 nan 8.310 nan 0.000 0.519 351 A N 0.532 123.469 122.820 0.195 0.000 2.606 351 A HA 0.720 5.041 4.320 0.003 0.000 0.293 351 A C -1.789 175.959 177.584 0.273 0.000 1.082 351 A CA -0.730 51.442 52.037 0.225 0.000 0.685 351 A CB 0.921 19.985 19.000 0.105 0.000 1.284 351 A HN 0.409 nan 8.150 nan 0.000 0.408 352 F N 1.797 121.920 119.950 0.288 0.000 2.507 352 F HA 0.696 5.225 4.527 0.002 0.000 0.325 352 F C -2.304 173.632 175.800 0.227 0.000 1.116 352 F CA -1.976 56.164 58.000 0.233 0.000 0.930 352 F CB 1.872 41.022 39.000 0.250 0.000 1.146 352 F HN 0.380 nan 8.300 nan 0.000 0.447 353 P HA 0.084 nan 4.420 nan 0.000 0.269 353 P C -0.946 176.053 177.300 -0.501 0.000 1.209 353 P CA -0.334 62.017 63.100 -1.248 0.000 0.776 353 P CB 0.436 31.733 31.700 -0.672 0.000 0.876 354 L N 5.391 126.359 121.223 -0.426 0.000 2.559 354 L HA 0.021 4.362 4.340 0.003 0.000 0.274 354 L C -1.229 175.554 176.870 -0.145 0.000 1.205 354 L CA -0.502 54.234 54.840 -0.175 0.000 0.907 354 L CB -0.433 41.523 42.059 -0.171 0.000 1.153 354 L HN 0.417 nan 8.230 nan 0.000 0.490 355 P HA -0.087 nan 4.420 nan 0.000 0.221 355 P C 0.611 177.863 177.300 -0.079 0.000 1.150 355 P CA 0.948 64.012 63.100 -0.059 0.000 0.800 355 P CB 0.113 31.804 31.700 -0.015 0.000 0.787 356 N N -0.687 117.966 118.700 -0.079 0.000 2.276 356 N HA 0.119 4.860 4.740 0.003 0.000 0.212 356 N C 0.051 175.463 175.510 -0.164 0.000 1.127 356 N CA -0.333 52.663 53.050 -0.091 0.000 0.834 356 N CB -0.586 37.876 38.487 -0.040 0.000 1.014 356 N HN -0.127 nan 8.380 nan 0.000 0.491 357 A N 0.449 123.111 122.820 -0.263 0.000 2.477 357 A HA 0.209 4.531 4.320 0.003 0.000 0.246 357 A C -0.009 177.236 177.584 -0.564 0.000 1.078 357 A CA -0.078 51.684 52.037 -0.458 0.000 0.770 357 A CB 0.175 18.770 19.000 -0.674 0.000 1.011 357 A HN 0.399 nan 8.150 nan 0.000 0.494 358 E N 1.610 121.515 120.200 -0.490 0.000 2.186 358 E HA 0.276 4.628 4.350 0.003 0.000 0.255 358 E C -1.625 174.756 176.600 -0.365 0.000 0.881 358 E CA -0.288 55.897 56.400 -0.359 0.000 0.752 358 E CB 1.015 30.614 29.700 -0.168 0.000 1.176 358 E HN 0.636 nan 8.360 nan 0.000 0.421 359 Y N 1.512 121.768 120.300 -0.074 0.000 2.480 359 Y HA 0.113 4.664 4.550 0.002 0.000 0.341 359 Y C 0.599 176.446 175.900 -0.088 0.000 1.031 359 Y CA -0.025 58.021 58.100 -0.090 0.000 1.295 359 Y CB 0.779 39.182 38.460 -0.095 0.000 1.162 359 Y HN 0.169 nan 8.280 nan 0.000 0.523 360 T N 6.852 121.422 114.554 0.027 0.000 2.791 360 T HA 0.317 4.668 4.350 0.003 0.000 0.288 360 T C -2.744 171.882 174.700 -0.124 0.000 0.999 360 T CA -1.876 60.200 62.100 -0.040 0.000 0.952 360 T CB 1.346 70.189 68.868 -0.041 0.000 0.938 360 T HN 0.242 nan 8.240 nan 0.000 0.444 361 P HA 0.328 nan 4.420 nan 0.000 0.276 361 P C -0.922 176.075 177.300 -0.506 0.000 1.230 361 P CA -0.425 62.446 63.100 -0.382 0.000 0.776 361 P CB 0.765 32.173 31.700 -0.485 0.000 0.888 362 L N 4.005 124.893 121.223 -0.558 0.000 2.349 362 L HA 0.393 4.734 4.340 0.003 0.000 0.278 362 L C -0.236 176.314 176.870 -0.533 0.000 0.996 362 L CA -1.011 53.502 54.840 -0.546 0.000 0.825 362 L CB 1.018 42.769 42.059 -0.514 0.000 1.243 362 L HN 0.331 nan 8.230 nan 0.000 0.412 363 Y N 3.171 123.385 120.300 -0.142 0.000 2.316 363 Y HA 0.299 4.851 4.550 0.003 0.000 0.331 363 Y C 0.152 175.983 175.900 -0.114 0.000 1.083 363 Y CA -0.589 57.451 58.100 -0.100 0.000 1.206 363 Y CB 0.857 39.288 38.460 -0.048 0.000 1.195 363 Y HN 0.338 nan 8.280 nan 0.000 0.497 364 L N 3.463 124.657 121.223 -0.048 0.000 2.397 364 L HA 0.177 4.518 4.340 0.003 0.000 0.271 364 L C 0.037 176.891 176.870 -0.025 0.000 1.148 364 L CA 0.212 54.931 54.840 -0.202 0.000 0.825 364 L CB 0.206 41.868 42.059 -0.662 0.000 1.117 364 L HN 0.601 nan 8.230 nan 0.000 0.456 365 N N 1.028 119.787 118.700 0.098 0.000 2.531 365 N HA 0.442 5.183 4.740 0.003 0.000 0.268 365 N C 0.317 175.919 175.510 0.153 0.000 1.023 365 N CA -0.032 53.091 53.050 0.122 0.000 0.896 365 N CB 1.723 40.263 38.487 0.088 0.000 1.233 365 N HN 0.621 nan 8.380 nan 0.000 0.512 366 A N 2.728 125.618 122.820 0.115 0.000 2.015 366 A HA -0.113 4.209 4.320 0.003 0.000 0.219 366 A C 1.769 179.128 177.584 -0.375 0.000 1.163 366 A CA 1.248 53.217 52.037 -0.113 0.000 0.646 366 A CB -0.416 18.613 19.000 0.047 0.000 0.806 366 A HN 0.810 nan 8.150 nan 0.000 0.448 367 E N 0.627 120.613 120.200 -0.357 0.000 2.085 367 E HA -0.242 4.109 4.350 0.003 0.000 0.194 367 E C 1.111 177.629 176.600 -0.136 0.000 0.994 367 E CA 1.589 57.703 56.400 -0.478 0.000 0.801 367 E CB -0.078 29.148 29.700 -0.789 0.000 0.743 367 E HN 0.781 nan 8.360 nan 0.000 0.453 368 N N -1.397 117.273 118.700 -0.051 0.000 2.159 368 N HA -0.053 4.689 4.740 0.003 0.000 0.217 368 N C -0.812 174.801 175.510 0.171 0.000 1.223 368 N CA -0.009 53.087 53.050 0.077 0.000 0.896 368 N CB -0.074 38.433 38.487 0.033 0.000 1.064 368 N HN 0.164 nan 8.380 nan 0.000 0.518 369 H N 0.084 119.149 119.070 -0.008 0.000 2.748 369 H HA -0.128 4.430 4.556 0.003 0.000 0.322 369 H C -0.576 174.791 175.328 0.066 0.000 1.208 369 H CA 1.329 57.329 56.048 -0.080 0.000 1.151 369 H CB -2.070 27.523 29.762 -0.282 0.000 1.505 369 H HN 0.626 nan 8.280 nan 0.000 0.429 370 T N -1.508 113.192 114.554 0.243 0.000 2.940 370 T HA 0.795 5.146 4.350 0.003 0.000 0.288 370 T C 0.576 175.411 174.700 0.225 0.000 1.045 370 T CA -1.145 61.071 62.100 0.194 0.000 1.018 370 T CB 2.804 71.744 68.868 0.119 0.000 1.151 370 T HN 0.185 nan 8.240 nan 0.000 0.529 371 L N 1.163 122.475 121.223 0.149 0.000 2.322 371 L HA 0.634 4.976 4.340 0.003 0.000 0.269 371 L C 0.128 177.015 176.870 0.029 0.000 1.012 371 L CA -1.013 53.851 54.840 0.039 0.000 0.815 371 L CB 1.465 43.490 42.059 -0.058 0.000 1.295 371 L HN 0.719 nan 8.230 nan 0.000 0.438 372 N N -0.629 118.035 118.700 -0.061 0.000 2.331 372 N HA 0.244 4.986 4.740 0.003 0.000 0.280 372 N C -0.089 175.381 175.510 -0.067 0.000 1.155 372 N CA -0.739 52.307 53.050 -0.007 0.000 0.822 372 N CB 1.885 40.436 38.487 0.107 0.000 1.619 372 N HN 0.626 nan 8.380 nan 0.000 0.476 373 H N 0.253 119.370 119.070 0.079 0.000 2.423 373 H HA 0.083 4.641 4.556 0.003 0.000 0.297 373 H C 0.580 176.038 175.328 0.217 0.000 1.075 373 H CA 0.836 56.925 56.048 0.069 0.000 1.342 373 H CB 0.521 30.313 29.762 0.050 0.000 1.395 373 H HN 0.542 nan 8.280 nan 0.000 0.530 374 A N 0.977 123.974 122.820 0.296 0.000 2.354 374 A HA 0.394 4.715 4.320 0.003 0.000 0.321 374 A C 0.051 177.594 177.584 -0.067 0.000 1.125 374 A CA -0.751 51.369 52.037 0.138 0.000 0.799 374 A CB 1.745 20.783 19.000 0.063 0.000 1.293 374 A HN 0.058 nan 8.150 nan 0.000 0.452 375 K N 0.536 120.648 120.400 -0.480 0.000 2.440 375 K HA 0.133 4.455 4.320 0.003 0.000 0.270 375 K C -0.575 175.888 176.600 -0.228 0.000 0.980 375 K CA 0.191 56.089 56.287 -0.647 0.000 0.953 375 K CB 0.263 32.417 32.500 -0.576 0.000 0.925 375 K HN 0.429 nan 8.250 nan 0.000 0.497 376 I N 2.494 122.975 120.570 -0.147 0.000 2.312 376 I HA 0.003 4.175 4.170 0.003 0.000 0.290 376 I C 1.243 177.340 176.117 -0.033 0.000 1.008 376 I CA 0.301 61.582 61.300 -0.032 0.000 1.226 376 I CB 1.216 39.239 38.000 0.038 0.000 1.371 376 I HN 0.638 nan 8.210 nan 0.000 0.468 377 S N 3.640 119.327 115.700 -0.021 0.000 2.368 377 S HA -0.087 4.385 4.470 0.003 0.000 0.224 377 S C 1.111 175.708 174.600 -0.006 0.000 1.029 377 S CA 0.839 59.022 58.200 -0.028 0.000 0.988 377 S CB 0.051 63.240 63.200 -0.018 0.000 0.838 377 S HN 0.678 nan 8.310 nan 0.000 0.462 378 S N 1.213 116.940 115.700 0.046 0.000 2.499 378 S HA 0.608 5.080 4.470 0.003 0.000 0.275 378 S C -0.112 174.558 174.600 0.117 0.000 1.257 378 S CA -0.737 57.510 58.200 0.078 0.000 1.050 378 S CB 0.596 63.894 63.200 0.163 0.000 0.937 378 S HN 0.445 nan 8.310 nan 0.000 0.490 379 A N 5.020 127.853 122.820 0.022 0.000 2.354 379 A HA 0.615 4.936 4.320 0.003 0.000 0.269 379 A C -0.191 177.356 177.584 -0.062 0.000 1.109 379 A CA -0.178 51.903 52.037 0.073 0.000 0.800 379 A CB 0.321 19.373 19.000 0.086 0.000 1.045 379 A HN 0.956 nan 8.150 nan 0.000 0.489 380 H N -0.267 118.886 119.070 0.138 0.000 3.014 380 H HA 0.525 5.082 4.556 0.003 0.000 0.337 380 H C -1.712 173.639 175.328 0.037 0.000 1.320 380 H CA -0.406 55.690 56.048 0.079 0.000 1.128 380 H CB 1.993 31.786 29.762 0.053 0.000 1.862 380 H HN 0.558 nan 8.280 nan 0.000 0.536 381 V N 1.271 121.256 119.914 0.118 0.000 2.577 381 V HA 0.666 4.788 4.120 0.003 0.000 0.303 381 V C -0.713 175.355 176.094 -0.044 0.000 1.042 381 V CA -0.403 61.826 62.300 -0.118 0.000 0.872 381 V CB 1.187 32.803 31.823 -0.345 0.000 0.998 381 V HN 0.888 nan 8.190 nan 0.000 0.423 382 A N 5.644 128.447 122.820 -0.028 0.000 2.301 382 A HA 0.836 5.158 4.320 0.003 0.000 0.312 382 A C -0.402 177.193 177.584 0.019 0.000 1.182 382 A CA -0.456 51.613 52.037 0.054 0.000 0.826 382 A CB 0.992 20.083 19.000 0.153 0.000 1.134 382 A HN 0.859 nan 8.150 nan 0.000 0.501 383 Q N -0.149 119.681 119.800 0.050 0.000 2.348 383 Q HA 0.684 5.026 4.340 0.003 0.000 0.271 383 Q C -1.468 174.598 176.000 0.110 0.000 1.067 383 Q CA -0.534 55.266 55.803 -0.005 0.000 0.839 383 Q CB 2.403 31.126 28.738 -0.025 0.000 1.354 383 Q HN 0.811 nan 8.270 nan 0.000 0.447 384 Y N -2.394 117.925 120.300 0.032 0.000 2.638 384 Y HA 0.481 5.032 4.550 0.003 0.000 0.335 384 Y C -1.524 174.354 175.900 -0.036 0.000 1.155 384 Y CA -1.604 56.497 58.100 0.003 0.000 1.046 384 Y CB 1.064 39.531 38.460 0.011 0.000 1.303 384 Y HN 0.428 nan 8.280 nan 0.000 0.460 385 D N 1.223 121.722 120.400 0.164 0.000 2.316 385 D HA 0.178 4.820 4.640 0.003 0.000 0.245 385 D C 0.928 177.284 176.300 0.093 0.000 1.171 385 D CA 0.405 54.429 54.000 0.039 0.000 0.856 385 D CB 1.571 42.388 40.800 0.029 0.000 1.090 385 D HN 0.720 nan 8.370 nan 0.000 0.476 386 S N 2.699 118.328 115.700 -0.119 0.000 2.481 386 S HA -0.094 4.377 4.470 0.003 0.000 0.231 386 S C 1.013 175.594 174.600 -0.031 0.000 0.996 386 S CA 0.622 58.741 58.200 -0.135 0.000 0.942 386 S CB -0.107 62.723 63.200 -0.617 0.000 0.768 386 S HN 0.600 nan 8.310 nan 0.000 0.520 387 E N 0.671 120.858 120.200 -0.023 0.000 2.481 387 E HA 0.167 4.518 4.350 0.003 0.000 0.198 387 E C -0.378 176.219 176.600 -0.005 0.000 1.027 387 E CA -0.132 56.265 56.400 -0.005 0.000 0.900 387 E CB 0.217 29.918 29.700 0.002 0.000 0.993 387 E HN 0.386 nan 8.360 nan 0.000 0.482 388 D N 1.455 121.854 120.400 -0.000 0.000 2.347 388 D HA 0.073 4.715 4.640 0.003 0.000 0.235 388 D C 0.374 176.661 176.300 -0.022 0.000 1.149 388 D CA -0.076 53.922 54.000 -0.004 0.000 0.850 388 D CB 0.931 41.735 40.800 0.007 0.000 1.061 388 D HN -0.082 nan 8.370 nan 0.000 0.487 389 K N 2.006 122.385 120.400 -0.034 0.000 2.504 389 K HA -0.044 4.278 4.320 0.003 0.000 0.195 389 K C 1.175 177.741 176.600 -0.056 0.000 1.036 389 K CA 0.471 56.724 56.287 -0.056 0.000 0.984 389 K CB 0.499 32.971 32.500 -0.047 0.000 0.788 389 K HN 0.321 nan 8.250 nan 0.000 0.488 390 Q N 0.465 120.239 119.800 -0.042 0.000 2.360 390 Q HA 0.094 4.435 4.340 0.003 0.000 0.202 390 Q C 0.017 175.986 176.000 -0.053 0.000 0.915 390 Q CA 0.585 56.361 55.803 -0.044 0.000 0.943 390 Q CB 0.623 29.342 28.738 -0.032 0.000 1.064 390 Q HN 0.382 nan 8.270 nan 0.000 0.511 391 Q N 1.382 121.150 119.800 -0.053 0.000 2.282 391 Q HA 0.329 4.671 4.340 0.003 0.000 0.260 391 Q C -0.947 174.963 176.000 -0.150 0.000 0.964 391 Q CA -0.364 55.410 55.803 -0.049 0.000 0.880 391 Q CB 1.620 30.375 28.738 0.028 0.000 1.286 391 Q HN 0.109 nan 8.270 nan 0.000 0.445 392 D N -0.939 119.349 120.400 -0.187 0.000 2.677 392 D HA 0.512 5.154 4.640 0.003 0.000 0.298 392 D C -1.106 175.072 176.300 -0.202 0.000 1.250 392 D CA -0.727 53.050 54.000 -0.372 0.000 0.888 392 D CB 0.899 41.533 40.800 -0.276 0.000 1.397 392 D HN 0.253 nan 8.370 nan 0.000 0.461 393 V N -2.514 117.294 119.914 -0.177 0.000 2.604 393 V HA 0.893 5.014 4.120 0.003 0.000 0.305 393 V C -0.445 175.567 176.094 -0.137 0.000 1.043 393 V CA -0.507 61.754 62.300 -0.065 0.000 0.888 393 V CB 1.379 33.275 31.823 0.123 0.000 0.995 393 V HN 0.626 nan 8.190 nan 0.000 0.429 394 S N 2.963 118.504 115.700 -0.266 0.000 2.607 394 S HA 0.927 5.398 4.470 0.003 0.000 0.303 394 S C -1.195 173.101 174.600 -0.508 0.000 1.086 394 S CA -0.334 57.735 58.200 -0.218 0.000 0.995 394 S CB 1.474 64.606 63.200 -0.114 0.000 1.084 394 S HN 0.660 nan 8.310 nan 0.000 0.507 395 F N 1.281 121.280 119.950 0.082 0.000 2.573 395 F HA 0.488 5.017 4.527 0.003 0.000 0.316 395 F C -0.041 175.783 175.800 0.041 0.000 1.148 395 F CA -0.760 57.281 58.000 0.067 0.000 0.940 395 F CB 1.664 40.681 39.000 0.028 0.000 1.214 395 F HN 0.226 nan 8.300 nan 0.000 0.448 396 K N 2.248 122.758 120.400 0.183 0.000 2.375 396 K HA 0.572 4.893 4.320 0.003 0.000 0.249 396 K C -1.969 174.690 176.600 0.100 0.000 0.942 396 K CA -1.193 55.161 56.287 0.112 0.000 0.806 396 K CB 3.023 35.559 32.500 0.061 0.000 1.227 396 K HN 0.598 nan 8.250 nan 0.000 0.430 397 Y N 0.558 120.785 120.300 -0.122 0.000 2.373 397 Y HA 0.286 4.838 4.550 0.003 0.000 0.336 397 Y C -1.144 174.574 175.900 -0.304 0.000 0.979 397 Y CA -0.432 57.504 58.100 -0.274 0.000 1.080 397 Y CB 2.038 40.219 38.460 -0.465 0.000 1.190 397 Y HN 0.488 nan 8.280 nan 0.000 0.446 398 T N 7.294 121.401 114.554 -0.746 0.000 2.767 398 T HA 0.406 4.758 4.350 0.003 0.000 0.284 398 T C -0.814 173.451 174.700 -0.725 0.000 0.973 398 T CA -0.212 61.609 62.100 -0.464 0.000 0.996 398 T CB -0.015 68.716 68.868 -0.229 0.000 0.927 398 T HN 0.375 nan 8.240 nan 0.000 0.456 399 F N 2.545 122.366 119.950 -0.216 0.000 2.412 399 F HA 0.234 4.762 4.527 0.003 0.000 0.348 399 F C 1.389 177.165 175.800 -0.039 0.000 1.102 399 F CA -0.718 57.240 58.000 -0.070 0.000 1.196 399 F CB 0.864 39.935 39.000 0.120 0.000 1.144 399 F HN 0.593 nan 8.300 nan 0.000 0.541 400 D N -0.306 120.185 120.400 0.151 0.000 2.350 400 D HA 0.083 4.724 4.640 0.003 0.000 0.213 400 D C -0.513 175.866 176.300 0.132 0.000 1.031 400 D CA 0.021 54.083 54.000 0.103 0.000 0.861 400 D CB -0.118 40.715 40.800 0.055 0.000 0.926 400 D HN 0.476 nan 8.370 nan 0.000 0.520 401 K N -0.471 120.047 120.400 0.196 0.000 2.502 401 K HA 0.429 4.751 4.320 0.003 0.000 0.257 401 K C -1.452 175.235 176.600 0.144 0.000 0.938 401 K CA -0.988 55.386 56.287 0.145 0.000 0.819 401 K CB 1.259 33.832 32.500 0.122 0.000 1.333 401 K HN -0.391 nan 8.250 nan 0.000 0.434 402 D N 1.719 122.166 120.400 0.077 0.000 2.586 402 D HA 0.068 4.710 4.640 0.003 0.000 0.234 402 D C -0.666 175.630 176.300 -0.008 0.000 1.132 402 D CA 0.900 54.915 54.000 0.025 0.000 0.860 402 D CB 0.440 41.250 40.800 0.017 0.000 1.159 402 D HN 0.511 nan 8.370 nan 0.000 0.490 403 T N 2.532 117.018 114.554 -0.113 0.000 2.952 403 T HA 0.341 4.693 4.350 0.003 0.000 0.305 403 T C -0.390 174.231 174.700 -0.133 0.000 1.064 403 T CA -0.881 61.134 62.100 -0.141 0.000 1.008 403 T CB 1.520 70.236 68.868 -0.253 0.000 1.078 403 T HN 0.172 nan 8.240 nan 0.000 0.459 404 E N 2.326 122.489 120.200 -0.061 0.000 2.166 404 E HA 0.545 4.896 4.350 0.003 0.000 0.275 404 E C -0.835 175.740 176.600 -0.041 0.000 0.941 404 E CA -0.729 55.651 56.400 -0.034 0.000 0.784 404 E CB 1.691 31.387 29.700 -0.007 0.000 1.115 404 E HN 0.404 nan 8.360 nan 0.000 0.399 405 L N 3.036 124.240 121.223 -0.032 0.000 2.343 405 L HA 0.513 4.855 4.340 0.003 0.000 0.278 405 L C -0.960 175.821 176.870 -0.148 0.000 0.996 405 L CA -0.983 53.815 54.840 -0.070 0.000 0.831 405 L CB 1.432 43.469 42.059 -0.038 0.000 1.232 405 L HN 0.262 nan 8.230 nan 0.000 0.413 406 V N 2.534 122.358 119.914 -0.151 0.000 2.482 406 V HA 0.945 5.066 4.120 0.003 0.000 0.295 406 V C 0.334 176.376 176.094 -0.087 0.000 1.026 406 V CA -0.193 61.991 62.300 -0.193 0.000 0.856 406 V CB 1.253 32.963 31.823 -0.189 0.000 1.001 406 V HN 1.039 nan 8.190 nan 0.000 0.424 407 G N 4.603 113.373 108.800 -0.049 0.000 2.302 407 G HA2 -0.036 3.926 3.960 0.003 0.000 0.276 407 G HA3 -0.036 3.926 3.960 0.003 0.000 0.276 407 G C -0.999 173.900 174.900 -0.002 0.000 1.316 407 G CA -0.760 44.401 45.100 0.100 0.000 0.988 407 G HN 0.510 nan 8.290 nan 0.000 0.479 411 L N 2.779 123.938 121.223 -0.108 0.000 2.283 411 L HA 0.542 4.883 4.340 0.003 0.000 0.287 411 L C -0.112 176.695 176.870 -0.105 0.000 1.073 411 L CA -0.252 54.523 54.840 -0.109 0.000 0.822 411 L CB 0.263 42.266 42.059 -0.095 0.000 1.186 411 L HN 0.518 nan 8.230 nan 0.000 0.436 412 K N 6.046 126.376 120.400 -0.115 0.000 2.264 412 K HA 0.612 4.934 4.320 0.003 0.000 0.277 412 K C -1.649 174.887 176.600 -0.107 0.000 1.067 412 K CA -0.107 56.105 56.287 -0.124 0.000 0.900 412 K CB 0.340 32.773 32.500 -0.112 0.000 1.124 412 K HN 0.661 nan 8.250 nan 0.000 0.469 413 L N 3.959 125.100 121.223 -0.137 0.000 2.354 413 L HA 0.611 4.952 4.340 0.003 0.000 0.269 413 L C -0.808 175.977 176.870 -0.141 0.000 1.005 413 L CA -1.117 53.691 54.840 -0.052 0.000 0.819 413 L CB 1.520 43.574 42.059 -0.008 0.000 1.311 413 L HN 0.585 nan 8.230 nan 0.000 0.423 414 W N 2.542 123.888 121.300 0.076 0.000 2.433 414 W HA 0.626 5.287 4.660 0.003 0.000 0.315 414 W C -0.281 176.334 176.519 0.160 0.000 1.087 414 W CA -0.540 56.858 57.345 0.088 0.000 1.205 414 W CB 1.687 31.204 29.460 0.095 0.000 1.288 414 W HN 0.215 nan 8.180 nan 0.000 0.504 415 V N 0.672 120.771 119.914 0.308 0.000 3.114 415 V HA 0.936 5.058 4.120 0.003 0.000 0.308 415 V C -0.529 175.698 176.094 0.223 0.000 1.168 415 V CA -1.063 61.380 62.300 0.239 0.000 1.015 415 V CB 1.659 33.518 31.823 0.060 0.000 1.050 415 V HN 0.645 nan 8.190 nan 0.000 0.433 416 S N 0.745 116.568 115.700 0.206 0.000 2.567 416 S HA 0.830 5.302 4.470 0.003 0.000 0.270 416 S C -0.793 173.844 174.600 0.061 0.000 1.152 416 S CA 0.024 58.313 58.200 0.148 0.000 0.835 416 S CB 1.771 65.121 63.200 0.250 0.000 1.115 416 S HN 2.112 nan 8.310 nan 0.000 0.459 417 T N -0.041 114.543 114.554 0.050 0.000 2.900 417 T HA 0.638 4.990 4.350 0.003 0.000 0.303 417 T C 0.095 174.836 174.700 0.069 0.000 1.142 417 T CA -0.251 61.890 62.100 0.067 0.000 1.007 417 T CB 1.746 70.658 68.868 0.074 0.000 1.156 417 T HN 1.041 nan 8.240 nan 0.000 0.490 418 K N 1.207 121.648 120.400 0.067 0.000 2.424 418 K HA 0.287 4.609 4.320 0.003 0.000 0.198 418 K C 0.386 177.017 176.600 0.052 0.000 1.190 418 K CA 0.025 56.345 56.287 0.055 0.000 0.935 418 K CB 0.308 32.836 32.500 0.046 0.000 1.087 418 K HN 0.328 nan 8.250 nan 0.000 0.524 419 D N 1.152 121.587 120.400 0.057 0.000 2.349 419 D HA 0.055 4.697 4.640 0.003 0.000 0.224 419 D C -0.079 176.259 176.300 0.063 0.000 1.029 419 D CA 0.395 54.427 54.000 0.052 0.000 0.879 419 D CB 0.874 41.700 40.800 0.045 0.000 0.906 419 D HN 0.183 nan 8.370 nan 0.000 0.528 420 S N -0.057 115.688 115.700 0.075 0.000 2.618 420 S HA 0.240 4.712 4.470 0.003 0.000 0.277 420 S C -0.644 173.996 174.600 0.067 0.000 1.138 420 S CA -0.740 57.506 58.200 0.077 0.000 0.844 420 S CB 1.633 64.895 63.200 0.103 0.000 1.127 420 S HN -0.036 nan 8.310 nan 0.000 0.474 421 D N 0.949 121.387 120.400 0.064 0.000 2.328 421 D HA 0.273 4.915 4.640 0.003 0.000 0.221 421 D C 0.095 176.432 176.300 0.061 0.000 1.072 421 D CA 0.261 54.295 54.000 0.057 0.000 0.850 421 D CB 0.062 40.894 40.800 0.052 0.000 0.922 421 D HN 0.345 nan 8.370 nan 0.000 0.516 425 L N 1.894 123.164 121.223 0.078 0.000 2.322 425 L HA 0.606 4.947 4.340 0.003 0.000 0.281 425 L C -0.526 176.278 176.870 -0.109 0.000 1.014 425 L CA -0.799 54.129 54.840 0.147 0.000 0.815 425 L CB 1.160 43.266 42.059 0.079 0.000 1.247 425 L HN 0.201 nan 8.230 nan 0.000 0.421 426 F N 2.080 122.037 119.950 0.013 0.000 2.402 426 F HA 0.657 5.186 4.527 0.003 0.000 0.355 426 F C 0.424 176.104 175.800 -0.199 0.000 1.123 426 F CA -0.542 57.372 58.000 -0.144 0.000 1.021 426 F CB 1.742 40.707 39.000 -0.058 0.000 1.160 426 F HN 0.459 nan 8.300 nan 0.000 0.451 427 A N 2.430 125.111 122.820 -0.232 0.000 2.340 427 A HA 0.941 5.262 4.320 0.003 0.000 0.331 427 A C -0.234 177.209 177.584 -0.236 0.000 1.140 427 A CA -0.522 51.408 52.037 -0.177 0.000 0.801 427 A CB 1.251 20.146 19.000 -0.175 0.000 1.234 427 A HN 0.881 nan 8.150 nan 0.000 0.469 428 G N 0.312 109.037 108.800 -0.124 0.000 2.690 428 G HA2 0.581 4.542 3.960 0.003 0.000 0.293 428 G HA3 0.581 4.542 3.960 0.003 0.000 0.293 428 G C -1.372 173.509 174.900 -0.032 0.000 1.399 428 G CA -0.444 44.595 45.100 -0.102 0.000 0.890 428 G HN 0.493 nan 8.290 nan 0.000 0.485 429 I N 0.755 121.322 120.570 -0.005 0.000 2.465 429 I HA 0.468 4.640 4.170 0.003 0.000 0.291 429 I C -0.260 175.929 176.117 0.119 0.000 1.014 429 I CA -0.754 60.581 61.300 0.059 0.000 1.093 429 I CB 1.783 39.813 38.000 0.051 0.000 1.267 429 I HN 0.395 nan 8.210 nan 0.000 0.431 430 K N 4.409 124.907 120.400 0.164 0.000 2.328 430 K HA 0.543 4.865 4.320 0.003 0.000 0.246 430 K C -0.687 176.091 176.600 0.298 0.000 0.955 430 K CA -0.967 55.434 56.287 0.191 0.000 0.817 430 K CB 3.172 35.745 32.500 0.121 0.000 1.208 430 K HN 0.398 nan 8.250 nan 0.000 0.432 431 K N 2.318 122.879 120.400 0.267 0.000 2.221 431 K HA 0.391 4.713 4.320 0.003 0.000 0.258 431 K C -1.406 175.278 176.600 0.139 0.000 0.944 431 K CA -0.700 55.747 56.287 0.267 0.000 0.823 431 K CB 0.782 33.306 32.500 0.040 0.000 1.113 431 K HN 0.256 nan 8.250 nan 0.000 0.431 432 L N 4.246 125.570 121.223 0.170 0.000 2.333 432 L HA 0.278 4.620 4.340 0.003 0.000 0.280 432 L C -0.436 176.486 176.870 0.088 0.000 1.004 432 L CA -0.521 54.377 54.840 0.098 0.000 0.820 432 L CB 1.447 43.566 42.059 0.100 0.000 1.247 432 L HN 0.803 nan 8.230 nan 0.000 0.416 433 D N 1.658 122.080 120.400 0.037 0.000 2.398 433 D HA 0.138 4.779 4.640 0.003 0.000 0.247 433 D C 0.937 177.260 176.300 0.040 0.000 1.227 433 D CA -0.336 53.682 54.000 0.030 0.000 0.980 433 D CB 0.679 41.478 40.800 -0.001 0.000 1.106 433 D HN 0.360 nan 8.370 nan 0.000 0.493 434 R N -1.055 119.467 120.500 0.036 0.000 2.170 434 R HA -0.109 4.233 4.340 0.003 0.000 0.242 434 R C 1.727 178.038 176.300 0.018 0.000 1.145 434 R CA 1.174 57.293 56.100 0.032 0.000 0.984 434 R CB -0.162 30.155 30.300 0.028 0.000 0.869 434 R HN 0.282 nan 8.270 nan 0.000 0.455 435 R N -1.040 119.466 120.500 0.011 0.000 2.275 435 R HA 0.094 4.436 4.340 0.003 0.000 0.199 435 R C 1.171 177.472 176.300 0.002 0.000 0.989 435 R CA 0.869 56.971 56.100 0.003 0.000 1.016 435 R CB 0.163 30.461 30.300 -0.003 0.000 0.918 435 R HN 0.421 nan 8.270 nan 0.000 0.473 436 G N -0.354 108.451 108.800 0.009 0.000 2.159 436 G HA2 -0.235 3.727 3.960 0.003 0.000 0.227 436 G HA3 -0.235 3.727 3.960 0.003 0.000 0.227 436 G C -0.472 174.430 174.900 0.003 0.000 0.986 436 G CA -0.345 44.761 45.100 0.009 0.000 0.651 436 G HN 0.247 nan 8.290 nan 0.000 0.523 437 N N 0.878 119.576 118.700 -0.003 0.000 2.456 437 N HA 0.386 5.127 4.740 0.003 0.000 0.288 437 N C 0.027 175.526 175.510 -0.019 0.000 1.059 437 N CA -0.399 52.642 53.050 -0.016 0.000 0.946 437 N CB 1.518 39.990 38.487 -0.025 0.000 1.150 437 N HN 0.539 nan 8.380 nan 0.000 0.479 438 E N 0.894 121.079 120.200 -0.024 0.000 2.392 438 E HA 0.080 4.432 4.350 0.003 0.000 0.264 438 E C -0.788 175.762 176.600 -0.084 0.000 1.024 438 E CA -0.198 56.184 56.400 -0.030 0.000 0.903 438 E CB 0.721 30.409 29.700 -0.020 0.000 0.963 438 E HN 0.158 nan 8.360 nan 0.000 0.432 439 V N 5.191 125.028 119.914 -0.128 0.000 2.364 439 V HA 0.152 4.274 4.120 0.003 0.000 0.272 439 V C -0.133 175.673 176.094 -0.479 0.000 1.036 439 V CA -0.427 61.705 62.300 -0.280 0.000 0.880 439 V CB 0.928 32.584 31.823 -0.278 0.000 0.991 439 V HN 0.683 nan 8.190 nan 0.000 0.460 440 N N 3.971 122.415 118.700 -0.427 0.000 2.524 440 N HA 0.632 5.374 4.740 0.003 0.000 0.283 440 N C -1.175 174.031 175.510 -0.506 0.000 1.142 440 N CA -0.332 52.512 53.050 -0.344 0.000 0.984 440 N CB 1.056 39.455 38.487 -0.147 0.000 1.155 440 N HN 0.452 nan 8.380 nan 0.000 0.467 441 F N 0.651 120.728 119.950 0.213 0.000 2.593 441 F HA 0.468 4.997 4.527 0.003 0.000 0.320 441 F C -2.094 173.913 175.800 0.345 0.000 1.060 441 F CA -2.474 55.691 58.000 0.275 0.000 0.940 441 F CB 1.096 40.167 39.000 0.118 0.000 1.268 441 F HN 0.273 nan 8.300 nan 0.000 0.475 442 P HA 0.071 nan 4.420 nan 0.000 0.264 442 P C -0.932 176.552 177.300 0.308 0.000 1.183 442 P CA 0.586 63.929 63.100 0.405 0.000 0.763 442 P CB 0.583 32.436 31.700 0.255 0.000 0.807 443 D N 1.209 121.765 120.400 0.259 0.000 2.677 443 D HA 0.329 4.970 4.640 0.003 0.000 0.298 443 D C -1.436 175.002 176.300 0.230 0.000 1.250 443 D CA -0.621 53.526 54.000 0.246 0.000 0.888 443 D CB 0.957 41.912 40.800 0.258 0.000 1.397 443 D HN 0.040 nan 8.370 nan 0.000 0.461 444 F N 1.695 121.709 119.950 0.106 0.000 2.429 444 F HA 0.347 4.876 4.527 0.003 0.000 0.348 444 F C 0.427 176.212 175.800 -0.025 0.000 1.109 444 F CA -0.422 57.604 58.000 0.043 0.000 1.232 444 F CB 0.557 39.603 39.000 0.078 0.000 1.157 444 F HN 0.064 nan 8.300 nan 0.000 0.564 445 N N 3.813 122.003 118.700 -0.851 0.000 2.439 445 N HA 0.152 4.894 4.740 0.003 0.000 0.249 445 N C -0.896 174.648 175.510 0.057 0.000 1.003 445 N CA -0.192 52.255 53.050 -1.005 0.000 0.942 445 N CB -0.431 37.204 38.487 -1.420 0.000 1.115 445 N HN 0.641 nan 8.380 nan 0.000 0.505 446 H N 0.849 119.958 119.070 0.066 0.000 2.527 446 H HA -0.208 4.349 4.556 0.003 0.000 0.321 446 H C -0.021 175.433 175.328 0.210 0.000 1.092 446 H CA 1.197 57.343 56.048 0.163 0.000 1.118 446 H CB -1.513 28.279 29.762 0.050 0.000 1.536 446 H HN 0.539 nan 8.280 nan 0.000 0.407 447 I N -3.006 117.690 120.570 0.210 0.000 2.566 447 I HA 0.314 4.486 4.170 0.003 0.000 0.303 447 I C 1.015 177.277 176.117 0.242 0.000 0.983 447 I CA -0.591 60.824 61.300 0.192 0.000 1.235 447 I CB 1.853 39.921 38.000 0.113 0.000 1.386 447 I HN 0.117 nan 8.210 nan 0.000 0.494 448 E N 2.119 122.435 120.200 0.192 0.000 2.476 448 E HA -0.007 4.344 4.350 0.003 0.000 0.199 448 E C 0.044 176.677 176.600 0.055 0.000 1.021 448 E CA 0.076 56.587 56.400 0.186 0.000 0.907 448 E CB 0.128 29.801 29.700 -0.044 0.000 0.974 448 E HN 0.775 nan 8.360 nan 0.000 0.489 449 N N 0.688 119.424 118.700 0.059 0.000 2.451 449 N HA 0.048 4.790 4.740 0.003 0.000 0.264 449 N C 0.261 175.819 175.510 0.081 0.000 1.167 449 N CA -0.143 52.923 53.050 0.027 0.000 0.898 449 N CB 0.344 38.832 38.487 0.001 0.000 1.176 449 N HN -0.074 nan 8.380 nan 0.000 0.507 450 G N 0.266 109.158 108.800 0.154 0.000 2.563 450 G HA2 0.367 4.328 3.960 0.003 0.000 0.283 450 G HA3 0.367 4.328 3.960 0.003 0.000 0.283 450 G C 0.011 175.029 174.900 0.195 0.000 1.309 450 G CA -0.429 44.786 45.100 0.192 0.000 1.022 450 G HN 0.508 nan 8.290 nan 0.000 0.501 451 Q N -2.269 117.665 119.800 0.222 0.000 3.106 451 Q HA 0.541 4.883 4.340 0.003 0.000 0.247 451 Q C 0.695 176.889 176.000 0.322 0.000 1.033 451 Q CA -0.746 55.198 55.803 0.234 0.000 0.888 451 Q CB 1.059 29.880 28.738 0.137 0.000 1.586 451 Q HN 0.180 nan 8.270 nan 0.000 0.482 452 V N -0.550 119.506 119.914 0.236 0.000 2.300 452 V HA 0.210 4.332 4.120 0.003 0.000 0.241 452 V C 0.682 176.757 176.094 -0.032 0.000 1.034 452 V CA 1.490 63.835 62.300 0.075 0.000 1.021 452 V CB -0.135 31.747 31.823 0.099 0.000 0.662 452 V HN 0.761 nan 8.190 nan 0.000 0.458 453 A N -1.058 121.755 122.820 -0.013 0.000 2.556 453 A HA 0.759 5.081 4.320 0.003 0.000 0.294 453 A C -0.629 176.892 177.584 -0.105 0.000 1.091 453 A CA -0.308 51.689 52.037 -0.066 0.000 0.704 453 A CB 1.879 20.820 19.000 -0.097 0.000 1.300 453 A HN 0.189 nan 8.150 nan 0.000 0.406 454 T N -0.208 114.232 114.554 -0.191 0.000 2.916 454 T HA 0.827 5.179 4.350 0.003 0.000 0.305 454 T C -0.129 174.197 174.700 -0.623 0.000 1.119 454 T CA -0.072 61.767 62.100 -0.434 0.000 1.008 454 T CB 2.068 70.639 68.868 -0.494 0.000 1.129 454 T HN 1.773 nan 8.240 nan 0.000 0.480 455 G N 0.492 108.761 108.800 -0.886 0.000 2.646 455 G HA2 0.654 4.616 3.960 0.003 0.000 0.291 455 G HA3 0.654 4.616 3.960 0.003 0.000 0.291 455 G C -2.240 172.187 174.900 -0.788 0.000 1.445 455 G CA -0.787 43.886 45.100 -0.710 0.000 0.814 455 G HN 0.561 nan 8.290 nan 0.000 0.495 456 W N -0.547 120.579 121.300 -0.289 0.000 3.083 456 W HA 0.699 5.360 4.660 0.002 0.000 0.333 456 W C -1.600 174.709 176.519 -0.350 0.000 1.217 456 W CA -0.767 56.325 57.345 -0.421 0.000 1.170 456 W CB 2.487 31.602 29.460 -0.576 0.000 1.437 456 W HN 0.586 nan 8.180 nan 0.000 0.557 457 L N 2.165 123.306 121.223 -0.137 0.000 2.737 457 L HA 0.343 4.685 4.340 0.003 0.000 0.261 457 L C -0.455 176.324 176.870 -0.153 0.000 0.949 457 L CA -0.546 54.188 54.840 -0.177 0.000 0.952 457 L CB 1.552 43.499 42.059 -0.186 0.000 1.337 457 L HN 0.481 nan 8.230 nan 0.000 0.430 458 R N 3.563 123.966 120.500 -0.161 0.000 2.351 458 R HA 0.328 4.669 4.340 0.003 0.000 0.318 458 R C 0.420 176.721 176.300 0.002 0.000 1.055 458 R CA -0.008 56.038 56.100 -0.089 0.000 0.968 458 R CB 0.928 31.117 30.300 -0.186 0.000 0.974 458 R HN 0.669 nan 8.270 nan 0.000 0.439 459 V N 3.271 123.191 119.914 0.010 0.000 2.490 459 V HA -0.252 3.870 4.120 0.003 0.000 0.250 459 V C 2.149 178.275 176.094 0.054 0.000 1.061 459 V CA 2.180 64.484 62.300 0.007 0.000 1.064 459 V CB -0.363 31.445 31.823 -0.025 0.000 0.670 459 V HN 0.972 nan 8.190 nan 0.000 0.461 460 S N -0.664 115.103 115.700 0.112 0.000 2.469 460 S HA -0.214 4.258 4.470 0.003 0.000 0.238 460 S C 1.485 176.139 174.600 0.089 0.000 0.998 460 S CA 1.175 59.439 58.200 0.106 0.000 0.957 460 S CB -0.694 62.578 63.200 0.121 0.000 0.764 460 S HN 0.786 nan 8.310 nan 0.000 0.514 461 H N 1.481 120.556 119.070 0.009 0.000 2.538 461 H HA 0.208 4.765 4.556 0.003 0.000 0.286 461 H C 1.904 177.189 175.328 -0.073 0.000 1.035 461 H CA 0.224 56.277 56.048 0.009 0.000 1.169 461 H CB 0.062 29.903 29.762 0.131 0.000 1.417 461 H HN 0.633 nan 8.280 nan 0.000 0.567 462 R N 1.361 121.894 120.500 0.054 0.000 2.328 462 R HA -0.032 4.309 4.340 0.003 0.000 0.207 462 R C 0.430 176.807 176.300 0.128 0.000 1.056 462 R CA 0.313 56.461 56.100 0.080 0.000 1.016 462 R CB -0.126 30.182 30.300 0.014 0.000 0.872 462 R HN 0.247 nan 8.270 nan 0.000 0.471 463 E N 1.882 122.110 120.200 0.047 0.000 2.366 463 E HA 0.042 4.394 4.350 0.003 0.000 0.266 463 E C -0.656 175.931 176.600 -0.022 0.000 1.015 463 E CA -0.186 56.212 56.400 -0.002 0.000 0.906 463 E CB 0.612 30.298 29.700 -0.024 0.000 0.979 463 E HN 0.263 nan 8.360 nan 0.000 0.443 464 L N 4.141 125.319 121.223 -0.076 0.000 2.331 464 L HA 0.101 4.443 4.340 0.003 0.000 0.278 464 L C 0.564 177.388 176.870 -0.076 0.000 1.106 464 L CA -0.406 54.350 54.840 -0.140 0.000 0.824 464 L CB 0.680 42.645 42.059 -0.157 0.000 1.142 464 L HN 0.548 nan 8.230 nan 0.000 0.443 465 D N 3.339 123.715 120.400 -0.041 0.000 2.359 465 D HA -0.019 4.623 4.640 0.003 0.000 0.250 465 D C 0.875 177.132 176.300 -0.072 0.000 1.264 465 D CA -0.060 53.925 54.000 -0.024 0.000 0.911 465 D CB 1.112 41.931 40.800 0.032 0.000 1.056 465 D HN 0.442 nan 8.370 nan 0.000 0.499 466 Q N 3.322 123.076 119.800 -0.077 0.000 2.050 466 Q HA -0.164 4.177 4.340 0.003 0.000 0.202 466 Q C 1.565 177.503 176.000 -0.104 0.000 0.980 466 Q CA 1.227 56.979 55.803 -0.084 0.000 0.840 466 Q CB -0.014 28.683 28.738 -0.069 0.000 0.898 466 Q HN 0.686 nan 8.270 nan 0.000 0.424 467 E N 0.801 120.932 120.200 -0.115 0.000 2.065 467 E HA -0.207 4.145 4.350 0.003 0.000 0.201 467 E C 1.726 178.210 176.600 -0.193 0.000 1.016 467 E CA 1.269 57.583 56.400 -0.143 0.000 0.818 467 E CB -0.090 29.520 29.700 -0.150 0.000 0.749 467 E HN 0.332 nan 8.360 nan 0.000 0.453 468 K N 0.365 120.608 120.400 -0.261 0.000 2.393 468 K HA 0.149 4.471 4.320 0.003 0.000 0.193 468 K C 0.567 177.061 176.600 -0.177 0.000 1.026 468 K CA -0.127 55.928 56.287 -0.387 0.000 1.064 468 K CB 0.685 32.629 32.500 -0.927 0.000 0.833 468 K HN -0.115 nan 8.250 nan 0.000 0.521 469 S N 1.210 116.854 115.700 -0.094 0.000 2.601 469 S HA 0.251 4.722 4.470 0.003 0.000 0.271 469 S C 0.106 174.653 174.600 -0.090 0.000 1.305 469 S CA -0.671 57.501 58.200 -0.046 0.000 1.022 469 S CB 1.285 64.433 63.200 -0.086 0.000 0.940 469 S HN 0.327 nan 8.310 nan 0.000 0.525 470 S N 1.057 116.695 115.700 -0.104 0.000 2.732 470 S HA 0.513 4.984 4.470 0.003 0.000 0.293 470 S C 0.644 175.121 174.600 -0.204 0.000 1.159 470 S CA -0.725 57.383 58.200 -0.155 0.000 0.847 470 S CB 0.403 63.499 63.200 -0.173 0.000 1.169 470 S HN 0.373 nan 8.310 nan 0.000 0.501 471 I N 1.094 121.503 120.570 -0.267 0.000 2.264 471 I HA 0.037 4.208 4.170 0.003 0.000 0.248 471 I C 2.161 178.066 176.117 -0.355 0.000 1.111 471 I CA 2.037 63.164 61.300 -0.289 0.000 1.382 471 I CB -1.178 36.657 38.000 -0.275 0.000 1.060 471 I HN 0.863 nan 8.210 nan 0.000 0.418 472 A N -1.121 121.393 122.820 -0.510 0.000 2.063 472 A HA 0.099 4.421 4.320 0.003 0.000 0.211 472 A C 1.405 178.845 177.584 -0.240 0.000 1.177 472 A CA 0.128 51.899 52.037 -0.444 0.000 0.759 472 A CB -0.166 18.411 19.000 -0.705 0.000 0.857 472 A HN 0.491 nan 8.150 nan 0.000 0.468 473 Q N 0.969 120.650 119.800 -0.199 0.000 2.394 473 Q HA 0.317 4.659 4.340 0.003 0.000 0.261 473 Q C -2.984 172.971 176.000 -0.074 0.000 1.023 473 Q CA -2.526 53.217 55.803 -0.102 0.000 0.720 473 Q CB 2.286 31.003 28.738 -0.035 0.000 1.241 473 Q HN 0.161 nan 8.270 nan 0.000 0.483 474 P HA 0.025 nan 4.420 nan 0.000 0.271 474 P C -1.073 176.143 177.300 -0.140 0.000 1.218 474 P CA -0.149 62.849 63.100 -0.170 0.000 0.780 474 P CB 0.645 32.195 31.700 -0.251 0.000 0.901 475 W N 3.868 124.960 121.300 -0.347 0.000 2.471 475 W HA 0.245 4.907 4.660 0.003 0.000 0.318 475 W C -0.952 175.326 176.519 -0.402 0.000 1.034 475 W CA -0.269 56.915 57.345 -0.268 0.000 1.224 475 W CB 0.989 30.340 29.460 -0.181 0.000 1.335 475 W HN 0.532 nan 8.180 nan 0.000 0.452 476 H N 3.678 122.652 119.070 -0.160 0.000 2.473 476 H HA 0.171 4.728 4.556 0.003 0.000 0.327 476 H C 1.223 176.408 175.328 -0.238 0.000 1.105 476 H CA -0.016 55.867 56.048 -0.276 0.000 1.280 476 H CB 2.377 31.803 29.762 -0.560 0.000 1.450 476 H HN 0.280 nan 8.280 nan 0.000 0.492 477 K N 0.701 121.069 120.400 -0.053 0.000 2.057 477 K HA -0.127 4.195 4.320 0.003 0.000 0.206 477 K C -0.124 176.535 176.600 0.099 0.000 1.050 477 K CA 0.823 57.139 56.287 0.049 0.000 0.935 477 K CB 0.115 32.640 32.500 0.042 0.000 0.715 477 K HN 0.720 nan 8.250 nan 0.000 0.439 478 H N -0.324 118.818 119.070 0.120 0.000 2.770 478 H HA -0.150 4.408 4.556 0.003 0.000 0.309 478 H C 0.116 175.466 175.328 0.036 0.000 1.206 478 H CA 1.121 57.230 56.048 0.101 0.000 1.147 478 H CB -1.597 28.235 29.762 0.117 0.000 1.422 478 H HN 0.542 nan 8.280 nan 0.000 0.420 479 E N -0.831 119.418 120.200 0.082 0.000 2.453 479 E HA 0.103 4.455 4.350 0.003 0.000 0.211 479 E C 0.070 176.661 176.600 -0.015 0.000 0.897 479 E CA 0.412 56.842 56.400 0.050 0.000 1.063 479 E CB 0.963 30.706 29.700 0.073 0.000 1.080 479 E HN 0.138 nan 8.360 nan 0.000 0.512 480 T N 1.497 116.013 114.554 -0.063 0.000 2.881 480 T HA 0.229 4.581 4.350 0.003 0.000 0.291 480 T C -0.781 173.822 174.700 -0.161 0.000 0.990 480 T CA -0.597 61.456 62.100 -0.079 0.000 0.976 480 T CB 1.895 70.737 68.868 -0.043 0.000 0.970 480 T HN -0.049 nan 8.240 nan 0.000 0.438 481 E N 2.948 123.051 120.200 -0.162 0.000 2.129 481 E HA 0.191 4.543 4.350 0.003 0.000 0.283 481 E C -0.355 176.210 176.600 -0.058 0.000 1.080 481 E CA -0.232 56.073 56.400 -0.158 0.000 0.867 481 E CB 0.763 30.412 29.700 -0.085 0.000 1.056 481 E HN 0.488 nan 8.360 nan 0.000 0.404 482 L N 4.711 125.909 121.223 -0.041 0.000 2.449 482 L HA 0.190 4.532 4.340 0.003 0.000 0.255 482 L C 0.582 177.458 176.870 0.011 0.000 1.167 482 L CA -0.534 54.300 54.840 -0.011 0.000 1.090 482 L CB -0.238 41.814 42.059 -0.012 0.000 1.385 482 L HN 0.172 nan 8.230 nan 0.000 0.411 483 K N 2.235 122.646 120.400 0.019 0.000 2.286 483 K HA 0.349 4.670 4.320 0.003 0.000 0.256 483 K C -0.235 176.384 176.600 0.030 0.000 0.999 483 K CA -0.140 56.167 56.287 0.033 0.000 0.908 483 K CB 1.224 33.746 32.500 0.037 0.000 0.981 483 K HN 0.388 nan 8.250 nan 0.000 0.500 484 L N 1.468 122.712 121.223 0.035 0.000 2.296 484 L HA 0.186 4.528 4.340 0.003 0.000 0.286 484 L C 0.691 177.582 176.870 0.035 0.000 1.023 484 L CA -0.701 54.159 54.840 0.033 0.000 0.812 484 L CB 1.646 43.724 42.059 0.032 0.000 1.223 484 L HN 0.651 nan 8.230 nan 0.000 0.421 485 S N 2.442 118.161 115.700 0.032 0.000 2.592 485 S HA 0.315 4.787 4.470 0.003 0.000 0.271 485 S C -0.313 174.309 174.600 0.036 0.000 1.326 485 S CA -0.815 57.404 58.200 0.032 0.000 1.024 485 S CB 1.178 64.394 63.200 0.028 0.000 0.921 485 S HN 0.639 nan 8.310 nan 0.000 0.527 486 Q N 0.757 120.579 119.800 0.037 0.000 2.260 486 Q HA 0.409 4.751 4.340 0.003 0.000 0.242 486 Q C -1.462 174.561 176.000 0.038 0.000 0.932 486 Q CA -0.576 55.252 55.803 0.042 0.000 0.891 486 Q CB 0.255 29.018 28.738 0.042 0.000 1.222 486 Q HN 0.659 nan 8.270 nan 0.000 0.453 487 D N 1.837 122.263 120.400 0.044 0.000 2.500 487 D HA 0.067 4.709 4.640 0.003 0.000 0.219 487 D C -0.934 175.394 176.300 0.046 0.000 1.137 487 D CA -0.197 53.838 54.000 0.059 0.000 0.946 487 D CB 0.616 41.464 40.800 0.080 0.000 1.022 487 D HN 0.485 nan 8.370 nan 0.000 0.518 488 E N 2.486 122.710 120.200 0.041 0.000 2.289 488 E HA 0.183 4.535 4.350 0.003 0.000 0.278 488 E C -0.488 176.130 176.600 0.031 0.000 1.032 488 E CA -0.471 55.948 56.400 0.031 0.000 0.854 488 E CB 0.751 30.472 29.700 0.035 0.000 1.046 488 E HN 0.382 nan 8.360 nan 0.000 0.409 489 I N 5.824 126.394 120.570 0.000 0.000 2.315 489 I HA 0.191 4.363 4.170 0.003 0.000 0.291 489 I C -0.191 176.020 176.117 0.156 0.000 1.006 489 I CA -0.789 60.498 61.300 -0.020 0.000 1.265 489 I CB 1.137 38.955 38.000 -0.303 0.000 1.387 489 I HN 0.322 nan 8.210 nan 0.000 0.475 490 V N 5.032 125.038 119.914 0.154 0.000 2.823 490 V HA 0.690 4.811 4.120 0.003 0.000 0.312 490 V C -2.753 173.269 176.094 -0.120 0.000 1.072 490 V CA -2.458 59.892 62.300 0.082 0.000 0.937 490 V CB 1.828 33.655 31.823 0.006 0.000 1.013 490 V HN 0.477 nan 8.190 nan 0.000 0.430 491 P HA 0.405 nan 4.420 nan 0.000 0.282 491 P C -0.506 176.521 177.300 -0.455 0.000 1.262 491 P CA -0.037 62.465 63.100 -0.996 0.000 0.773 491 P CB 1.516 32.340 31.700 -1.459 0.000 0.879 492 V N 0.592 120.296 119.914 -0.350 0.000 2.864 492 V HA 0.646 4.767 4.120 0.003 0.000 0.314 492 V C -0.504 175.499 176.094 -0.152 0.000 1.073 492 V CA -0.974 61.224 62.300 -0.170 0.000 0.956 492 V CB 2.393 34.158 31.823 -0.097 0.000 1.023 492 V HN 0.396 nan 8.190 nan 0.000 0.435 493 E N 3.352 123.523 120.200 -0.049 0.000 2.191 493 E HA 0.595 4.947 4.350 0.003 0.000 0.263 493 E C -1.298 175.341 176.600 0.064 0.000 0.881 493 E CA -0.502 55.872 56.400 -0.044 0.000 0.757 493 E CB 2.549 32.191 29.700 -0.098 0.000 1.147 493 E HN 0.700 nan 8.360 nan 0.000 0.414 494 I N 2.282 122.849 120.570 -0.004 0.000 2.377 494 I HA 0.133 4.304 4.170 0.003 0.000 0.293 494 I C 0.294 176.396 176.117 -0.024 0.000 0.987 494 I CA -0.521 60.775 61.300 -0.007 0.000 1.185 494 I CB 1.459 39.416 38.000 -0.072 0.000 1.341 494 I HN 0.478 nan 8.210 nan 0.000 0.455 495 E N 7.054 127.256 120.200 0.004 0.000 2.070 495 E HA 0.167 4.519 4.350 0.003 0.000 0.282 495 E C -1.041 175.510 176.600 -0.082 0.000 1.104 495 E CA -0.670 55.709 56.400 -0.036 0.000 0.876 495 E CB 0.617 30.307 29.700 -0.017 0.000 1.055 495 E HN 0.374 nan 8.360 nan 0.000 0.401 496 L N 5.878 127.038 121.223 -0.104 0.000 2.319 496 L HA 0.246 4.587 4.340 0.003 0.000 0.280 496 L C 0.417 177.224 176.870 -0.104 0.000 1.099 496 L CA -0.092 54.669 54.840 -0.131 0.000 0.828 496 L CB 0.615 42.598 42.059 -0.126 0.000 1.150 496 L HN 0.663 nan 8.230 nan 0.000 0.442 497 L N 5.246 126.411 121.223 -0.097 0.000 2.452 497 L HA 0.194 4.535 4.340 0.003 0.000 0.267 497 L C -1.789 175.042 176.870 -0.066 0.000 1.188 497 L CA -1.636 53.171 54.840 -0.054 0.000 0.821 497 L CB 0.139 42.199 42.059 0.002 0.000 1.102 497 L HN 0.405 nan 8.230 nan 0.000 0.470 498 P HA -0.005 nan 4.420 nan 0.000 0.264 498 P C -1.014 176.298 177.300 0.018 0.000 1.183 498 P CA 0.210 63.231 63.100 -0.132 0.000 0.763 498 P CB 0.636 31.954 31.700 -0.637 0.000 0.807 499 S N 1.525 117.007 115.700 -0.363 0.000 2.579 499 S HA 0.817 5.289 4.470 0.003 0.000 0.272 499 S C -0.722 172.878 174.600 -1.666 0.000 1.141 499 S CA -0.848 56.768 58.200 -0.973 0.000 0.843 499 S CB 1.874 64.767 63.200 -0.512 0.000 1.122 499 S HN 0.467 nan 8.310 nan 0.000 0.468 500 G N 0.934 108.361 108.800 -2.289 0.000 2.760 500 G HA2 0.618 4.580 3.960 0.003 0.000 0.285 500 G HA3 0.618 4.580 3.960 0.003 0.000 0.285 500 G C -1.160 173.212 174.900 -0.879 0.000 1.496 500 G CA -0.607 43.668 45.100 -1.375 0.000 1.026 500 G HN 0.831 nan 8.290 nan 0.000 0.536 501 T N 1.733 115.980 114.554 -0.512 0.000 2.956 501 T HA 0.422 4.774 4.350 0.003 0.000 0.312 501 T C -0.999 173.539 174.700 -0.269 0.000 1.151 501 T CA -0.609 61.212 62.100 -0.465 0.000 1.024 501 T CB 2.100 70.628 68.868 -0.566 0.000 1.140 501 T HN 0.521 nan 8.240 nan 0.000 0.473 502 L N 2.826 123.877 121.223 -0.287 0.000 2.305 502 L HA 0.641 4.983 4.340 0.003 0.000 0.281 502 L C -1.443 175.203 176.870 -0.373 0.000 1.085 502 L CA -0.289 54.432 54.840 -0.199 0.000 0.813 502 L CB -0.194 41.787 42.059 -0.130 0.000 1.157 502 L HN 0.615 nan 8.230 nan 0.000 0.436 503 F N 4.886 124.666 119.950 -0.284 0.000 2.325 503 F HA 0.437 4.965 4.527 0.003 0.000 0.369 503 F C 0.629 176.280 175.800 -0.248 0.000 1.095 503 F CA -0.817 56.995 58.000 -0.313 0.000 1.082 503 F CB 0.674 39.227 39.000 -0.746 0.000 1.289 503 F HN 0.404 nan 8.300 nan 0.000 0.462 504 K N 1.729 122.130 120.400 0.003 0.000 2.397 504 K HA -0.024 4.298 4.320 0.003 0.000 0.265 504 K C 0.519 177.184 176.600 0.107 0.000 0.982 504 K CA -0.436 55.873 56.287 0.036 0.000 0.931 504 K CB 0.417 32.936 32.500 0.032 0.000 0.943 504 K HN 0.510 nan 8.250 nan 0.000 0.501 505 Q N 1.212 121.074 119.800 0.103 0.000 2.308 505 Q HA -0.126 4.215 4.340 0.003 0.000 0.313 505 Q C 0.586 176.655 176.000 0.115 0.000 1.075 505 Q CA 1.726 57.607 55.803 0.129 0.000 0.995 505 Q CB 0.197 28.988 28.738 0.089 0.000 1.107 505 Q HN 0.889 nan 8.270 nan 0.000 0.380 506 G N 3.681 112.560 108.800 0.131 0.000 2.176 506 G HA2 -0.235 3.727 3.960 0.003 0.000 0.253 506 G HA3 -0.235 3.727 3.960 0.003 0.000 0.253 506 G C -0.149 174.821 174.900 0.117 0.000 0.979 506 G CA 0.410 45.564 45.100 0.090 0.000 0.641 506 G HN 0.631 nan 8.290 nan 0.000 0.530 507 E N 0.135 120.453 120.200 0.197 0.000 2.250 507 E HA 0.613 4.965 4.350 0.003 0.000 0.265 507 E C -0.397 176.435 176.600 0.388 0.000 1.033 507 E CA -0.304 56.243 56.400 0.245 0.000 0.888 507 E CB 1.242 31.079 29.700 0.229 0.000 1.151 507 E HN 0.112 nan 8.360 nan 0.000 0.412 508 T N 1.452 116.229 114.554 0.371 0.000 2.863 508 T HA 0.387 4.739 4.350 0.003 0.000 0.285 508 T C -0.697 174.287 174.700 0.473 0.000 1.009 508 T CA -0.641 61.650 62.100 0.318 0.000 0.989 508 T CB 0.876 69.835 68.868 0.151 0.000 1.004 508 T HN 0.268 nan 8.240 nan 0.000 0.455 509 L N 2.714 124.141 121.223 0.341 0.000 2.295 509 L HA 0.626 4.968 4.340 0.003 0.000 0.285 509 L C -0.181 176.785 176.870 0.161 0.000 1.035 509 L CA -0.446 54.546 54.840 0.253 0.000 0.806 509 L CB 1.003 43.020 42.059 -0.069 0.000 1.214 509 L HN 0.662 nan 8.230 nan 0.000 0.426 510 E N 4.281 124.582 120.200 0.169 0.000 2.191 510 E HA 0.401 4.753 4.350 0.003 0.000 0.263 510 E C -1.647 175.021 176.600 0.113 0.000 0.881 510 E CA -0.788 55.687 56.400 0.125 0.000 0.757 510 E CB 1.982 31.743 29.700 0.101 0.000 1.147 510 E HN 0.488 nan 8.360 nan 0.000 0.414 511 V N 4.389 124.382 119.914 0.132 0.000 2.509 511 V HA 0.310 4.431 4.120 0.003 0.000 0.284 511 V C -0.160 176.029 176.094 0.157 0.000 1.047 511 V CA -0.597 61.779 62.300 0.127 0.000 0.952 511 V CB 1.422 33.324 31.823 0.132 0.000 0.988 511 V HN 0.492 nan 8.190 nan 0.000 0.469 512 V N 5.313 125.279 119.914 0.087 0.000 2.487 512 V HA 0.544 4.666 4.120 0.003 0.000 0.298 512 V C -0.341 175.774 176.094 0.035 0.000 1.028 512 V CA -0.562 61.763 62.300 0.042 0.000 0.860 512 V CB 1.953 33.771 31.823 -0.008 0.000 0.991 512 V HN 0.604 nan 8.190 nan 0.000 0.427 513 V N 4.523 124.459 119.914 0.037 0.000 2.604 513 V HA 0.698 4.820 4.120 0.003 0.000 0.305 513 V C -0.199 175.753 176.094 -0.237 0.000 1.043 513 V CA -0.665 61.653 62.300 0.030 0.000 0.888 513 V CB 1.869 33.814 31.823 0.204 0.000 0.995 513 V HN 0.934 nan 8.190 nan 0.000 0.429 514 K N 1.728 122.018 120.400 -0.185 0.000 2.548 514 K HA 0.604 4.925 4.320 0.003 0.000 0.282 514 K C 0.704 177.347 176.600 0.072 0.000 1.006 514 K CA -0.129 55.904 56.287 -0.423 0.000 0.892 514 K CB 2.127 34.475 32.500 -0.252 0.000 1.499 514 K HN 0.688 nan 8.250 nan 0.000 0.433 515 G N -0.031 108.822 108.800 0.088 0.000 3.088 515 G HA2 0.136 4.097 3.960 0.003 0.000 0.217 515 G HA3 0.136 4.097 3.960 0.003 0.000 0.217 515 G C -0.138 174.720 174.900 -0.070 0.000 1.159 515 G CA 0.623 45.907 45.100 0.306 0.000 0.760 515 G HN 0.587 nan 8.290 nan 0.000 0.550 516 S N -1.211 114.149 115.700 -0.566 0.000 2.727 516 S HA 0.484 4.955 4.470 0.003 0.000 0.278 516 S C -1.246 172.697 174.600 -1.094 0.000 1.186 516 S CA -0.763 56.744 58.200 -1.155 0.000 0.836 516 S CB 1.731 64.676 63.200 -0.425 0.000 1.186 516 S HN -0.072 nan 8.310 nan 0.000 0.499 517 E N 0.411 120.209 120.200 -0.669 0.000 2.480 517 E HA 0.208 4.559 4.350 0.003 0.000 0.258 517 E C 0.646 177.221 176.600 -0.042 0.000 0.984 517 E CA 0.357 56.699 56.400 -0.097 0.000 0.930 517 E CB 0.020 29.834 29.700 0.190 0.000 0.936 517 E HN 0.540 nan 8.360 nan 0.000 0.466 518 I N 3.000 123.592 120.570 0.037 0.000 2.235 518 I HA -0.105 4.066 4.170 0.003 0.000 0.241 518 I C 0.399 176.540 176.117 0.039 0.000 1.085 518 I CA 0.427 61.733 61.300 0.010 0.000 1.378 518 I CB 0.127 38.130 38.000 0.005 0.000 1.076 518 I HN 0.260 nan 8.210 nan 0.000 0.415 519 V N 2.973 122.944 119.914 0.096 0.000 2.432 519 V HA 0.186 4.308 4.120 0.003 0.000 0.275 519 V C -0.259 175.896 176.094 0.102 0.000 1.043 519 V CA -0.399 61.958 62.300 0.094 0.000 0.925 519 V CB 1.540 33.435 31.823 0.119 0.000 0.985 519 V HN 0.076 nan 8.190 nan 0.000 0.466 520 I N 5.082 125.686 120.570 0.057 0.000 2.377 520 I HA 0.891 5.063 4.170 0.003 0.000 0.293 520 I C 0.431 176.565 176.117 0.029 0.000 0.987 520 I CA 1.064 62.391 61.300 0.046 0.000 1.185 520 I CB 0.801 38.812 38.000 0.018 0.000 1.341 520 I HN 0.927 nan 8.210 nan 0.000 0.455 521 G N 5.533 114.347 108.800 0.024 0.000 2.472 521 G HA2 0.056 4.018 3.960 0.003 0.000 0.205 521 G HA3 0.056 4.018 3.960 0.003 0.000 0.205 521 G C -1.116 173.762 174.900 -0.035 0.000 1.270 521 G CA -0.125 44.969 45.100 -0.010 0.000 0.974 521 G HN 1.528 nan 8.290 nan 0.000 0.542 522 N N -2.867 115.799 118.700 -0.057 0.000 3.308 522 N HA 0.582 5.324 4.740 0.003 0.000 0.276 522 N C 0.469 175.938 175.510 -0.068 0.000 1.533 522 N CA 0.539 53.536 53.050 -0.088 0.000 0.878 522 N CB 0.627 39.013 38.487 -0.169 0.000 1.566 522 N HN 1.492 nan 8.380 nan 0.000 0.546 523 S N -2.230 113.438 115.700 -0.054 0.000 2.577 523 S HA 0.201 4.673 4.470 0.003 0.000 0.219 523 S C -0.066 174.458 174.600 -0.127 0.000 0.962 523 S CA 0.437 58.657 58.200 0.033 0.000 0.921 523 S CB -1.088 62.297 63.200 0.308 0.000 0.789 523 S HN 0.961 nan 8.310 nan 0.000 0.497 524 T N -0.205 114.159 114.554 -0.317 0.000 3.305 524 T HA 0.483 4.835 4.350 0.003 0.000 0.348 524 T C -3.224 171.319 174.700 -0.262 0.000 1.394 524 T CA -1.737 60.122 62.100 -0.401 0.000 1.549 524 T CB 0.602 69.004 68.868 -0.776 0.000 0.962 524 T HN -0.122 nan 8.240 nan 0.000 0.609 525 P HA 0.393 nan 4.420 nan 0.000 0.263 525 P C 1.076 178.305 177.300 -0.119 0.000 1.175 525 P CA 1.463 64.492 63.100 -0.120 0.000 0.761 525 P CB 0.062 31.716 31.700 -0.077 0.000 0.794 529 T N -2.081 111.999 114.554 -0.791 0.000 3.035 529 T HA -0.045 4.307 4.350 0.003 0.000 0.268 529 T C 0.948 175.521 174.700 -0.212 0.000 1.109 529 T CA 0.574 62.318 62.100 -0.593 0.000 1.119 529 T CB 0.305 68.706 68.868 -0.779 0.000 0.900 529 T HN 0.271 nan 8.240 nan 0.000 0.503 530 R N 0.525 120.874 120.500 -0.252 0.000 2.720 530 R HA 0.463 4.805 4.340 0.003 0.000 0.272 530 R C -0.633 175.679 176.300 0.019 0.000 0.991 530 R CA -1.234 54.683 56.100 -0.304 0.000 1.010 530 R CB 0.727 30.769 30.300 -0.430 0.000 1.141 530 R HN 0.395 nan 8.270 nan 0.000 0.494 531 Y N -0.066 120.467 120.300 0.389 0.000 2.683 531 Y HA 0.170 4.721 4.550 0.003 0.000 0.340 531 Y C -0.492 175.418 175.900 0.017 0.000 1.245 531 Y CA -0.193 58.023 58.100 0.194 0.000 1.485 531 Y CB 0.152 38.679 38.460 0.112 0.000 1.328 531 Y HN 0.468 nan 8.280 nan 0.000 0.603 532 E N 0.711 120.929 120.200 0.031 0.000 2.393 532 E HA 0.370 4.721 4.350 0.003 0.000 0.273 532 E C -1.707 174.724 176.600 -0.283 0.000 0.918 532 E CA -1.156 55.257 56.400 0.022 0.000 0.773 532 E CB 1.670 31.403 29.700 0.056 0.000 1.275 532 E HN 0.756 nan 8.360 nan 0.000 0.451 533 H N 0.821 120.037 119.070 0.242 0.000 2.429 533 H HA 0.169 4.726 4.556 0.003 0.000 0.231 533 H C -0.341 175.102 175.328 0.192 0.000 1.416 533 H CA -0.198 55.987 56.048 0.228 0.000 1.443 533 H CB 0.679 30.673 29.762 0.386 0.000 1.591 533 H HN 0.356 nan 8.280 nan 0.000 0.507 534 E N 0.836 121.142 120.200 0.177 0.000 2.474 534 E HA 0.008 4.360 4.350 0.003 0.000 0.194 534 E C -0.195 176.484 176.600 0.131 0.000 1.041 534 E CA 0.295 56.777 56.400 0.135 0.000 0.874 534 E CB 0.595 30.348 29.700 0.089 0.000 0.914 534 E HN 0.652 nan 8.360 nan 0.000 0.498 535 E N 1.352 121.638 120.200 0.143 0.000 2.028 535 E HA 0.182 4.534 4.350 0.003 0.000 0.266 535 E C -0.580 176.117 176.600 0.162 0.000 0.962 535 E CA -0.109 56.369 56.400 0.130 0.000 0.784 535 E CB 1.337 31.102 29.700 0.108 0.000 1.114 535 E HN -0.177 nan 8.360 nan 0.000 0.414 536 T N 0.567 115.217 114.554 0.160 0.000 2.887 536 T HA 0.235 4.587 4.350 0.003 0.000 0.288 536 T C 0.705 175.499 174.700 0.157 0.000 1.021 536 T CA -0.773 61.440 62.100 0.187 0.000 1.000 536 T CB 1.433 70.432 68.868 0.217 0.000 1.034 536 T HN 0.243 nan 8.240 nan 0.000 0.467 537 V N 1.542 121.555 119.914 0.165 0.000 3.633 537 V HA 0.452 4.574 4.120 0.003 0.000 0.283 537 V C 0.565 176.756 176.094 0.162 0.000 1.305 537 V CA -0.356 62.031 62.300 0.146 0.000 1.153 537 V CB -1.010 30.895 31.823 0.135 0.000 0.950 537 V HN 0.593 nan 8.190 nan 0.000 0.432 538 N N 2.767 121.580 118.700 0.188 0.000 2.530 538 N HA 0.459 5.201 4.740 0.003 0.000 0.273 538 N C -0.470 175.116 175.510 0.127 0.000 1.173 538 N CA 0.241 53.417 53.050 0.210 0.000 0.967 538 N CB 0.891 39.501 38.487 0.206 0.000 1.109 538 N HN 0.518 nan 8.380 nan 0.000 0.453 539 K N 0.752 121.221 120.400 0.115 0.000 2.571 539 K HA 0.462 4.784 4.320 0.003 0.000 0.252 539 K C -0.326 176.296 176.600 0.037 0.000 0.956 539 K CA -0.641 55.683 56.287 0.061 0.000 0.822 539 K CB 2.073 34.614 32.500 0.068 0.000 1.286 539 K HN 0.786 nan 8.250 nan 0.000 0.439 545 Y N 4.119 124.425 120.300 0.009 0.000 2.323 545 Y HA 0.696 5.247 4.550 0.003 0.000 0.331 545 Y C 1.084 177.021 175.900 0.063 0.000 1.092 545 Y CA -0.364 57.678 58.100 -0.097 0.000 1.150 545 Y CB 1.947 40.057 38.460 -0.583 0.000 1.200 545 Y HN 0.612 nan 8.280 nan 0.000 0.472 546 T N -0.393 114.313 114.554 0.253 0.000 2.894 546 T HA 0.763 5.115 4.350 0.003 0.000 0.309 546 T C -0.138 174.705 174.700 0.239 0.000 1.208 546 T CA -0.340 61.895 62.100 0.225 0.000 1.016 546 T CB 1.504 70.439 68.868 0.112 0.000 1.192 546 T HN 1.449 nan 8.240 nan 0.000 0.491 547 G N 0.064 108.968 108.800 0.173 0.000 2.829 547 G HA2 0.371 4.333 3.960 0.003 0.000 0.628 547 G HA3 0.371 4.333 3.960 0.003 0.000 0.628 547 G C 0.746 175.669 174.900 0.038 0.000 1.412 547 G CA 0.437 45.597 45.100 0.101 0.000 0.864 547 G HN 2.711 nan 8.290 nan 0.000 0.544 548 G N 0.176 108.948 108.800 -0.047 0.000 2.574 548 G HA2 -0.155 3.807 3.960 0.003 0.000 0.286 548 G HA3 -0.155 3.807 3.960 0.003 0.000 0.286 548 G C 1.370 176.114 174.900 -0.259 0.000 1.212 548 G CA 2.063 47.073 45.100 -0.150 0.000 0.979 548 G HN 2.301 nan 8.290 nan 0.000 0.557 549 K N -0.481 119.635 120.400 -0.474 0.000 2.280 549 K HA -0.003 4.319 4.320 0.003 0.000 0.202 549 K C 1.069 177.235 176.600 -0.723 0.000 1.047 549 K CA 1.698 57.619 56.287 -0.611 0.000 0.942 549 K CB -0.132 31.902 32.500 -0.776 0.000 0.739 549 K HN 0.550 nan 8.250 nan 0.000 0.457 550 Y N 3.809 123.826 120.300 -0.471 0.000 2.570 550 Y HA 0.034 4.586 4.550 0.003 0.000 0.336 550 Y C -0.085 175.774 175.900 -0.069 0.000 1.284 550 Y CA -1.055 56.653 58.100 -0.652 0.000 1.761 550 Y CB -0.240 37.996 38.460 -0.374 0.000 1.724 550 Y HN 0.206 nan 8.280 nan 0.000 0.455 551 D N -0.561 119.974 120.400 0.225 0.000 2.948 551 D HA -0.056 4.586 4.640 0.003 0.000 0.241 551 D C -0.030 176.525 176.300 0.425 0.000 1.198 551 D CA -0.016 54.177 54.000 0.321 0.000 0.926 551 D CB -0.273 40.691 40.800 0.273 0.000 1.151 551 D HN 0.087 nan 8.370 nan 0.000 0.441 552 S N 0.853 116.803 115.700 0.416 0.000 2.546 552 S HA 0.166 4.638 4.470 0.003 0.000 0.290 552 S C 0.261 174.919 174.600 0.097 0.000 1.290 552 S CA -0.208 58.139 58.200 0.245 0.000 1.069 552 S CB 0.340 63.639 63.200 0.166 0.000 0.846 552 S HN 0.642 nan 8.310 nan 0.000 0.495 553 Q N 1.730 121.512 119.800 -0.030 0.000 2.479 553 Q HA 0.582 4.924 4.340 0.003 0.000 0.276 553 Q C -1.890 173.989 176.000 -0.203 0.000 0.989 553 Q CA -1.037 54.666 55.803 -0.167 0.000 0.864 553 Q CB 0.980 29.565 28.738 -0.255 0.000 1.444 553 Q HN 0.443 nan 8.270 nan 0.000 0.388 554 L N 2.598 123.670 121.223 -0.251 0.000 2.282 554 L HA 0.498 4.839 4.340 0.003 0.000 0.288 554 L C -1.239 175.493 176.870 -0.231 0.000 1.033 554 L CA -0.680 54.032 54.840 -0.214 0.000 0.807 554 L CB 1.264 43.206 42.059 -0.194 0.000 1.209 554 L HN 0.660 nan 8.230 nan 0.000 0.423 555 I N 6.766 127.230 120.570 -0.177 0.000 2.315 555 I HA 0.300 4.472 4.170 0.003 0.000 0.291 555 I C 0.121 176.185 176.117 -0.089 0.000 1.006 555 I CA -0.286 60.931 61.300 -0.139 0.000 1.265 555 I CB 0.850 38.773 38.000 -0.129 0.000 1.387 555 I HN 0.591 nan 8.210 nan 0.000 0.475 556 I N 6.359 126.888 120.570 -0.067 0.000 2.493 556 I HA 0.605 4.777 4.170 0.003 0.000 0.298 556 I C -2.581 173.552 176.117 0.027 0.000 0.998 556 I CA -2.189 59.082 61.300 -0.048 0.000 1.137 556 I CB 2.394 40.328 38.000 -0.110 0.000 1.310 556 I HN 0.269 nan 8.210 nan 0.000 0.445 557 P HA 0.405 nan 4.420 nan 0.000 0.258 557 P C -0.545 176.672 177.300 -0.138 0.000 1.647 557 P CA -0.058 63.011 63.100 -0.053 0.000 1.099 557 P CB 0.512 32.237 31.700 0.042 0.000 1.604 558 I N 4.198 124.676 120.570 -0.153 0.000 2.441 558 I HA 0.233 4.404 4.170 0.003 0.000 0.287 558 I C 1.103 177.137 176.117 -0.138 0.000 1.049 558 I CA -0.401 60.836 61.300 -0.106 0.000 1.381 558 I CB 1.326 39.291 38.000 -0.059 0.000 1.409 558 I HN 0.158 nan 8.210 nan 0.000 0.523 559 V N 0.000 119.860 119.914 -0.090 0.000 2.409 559 V HA 0.000 4.122 4.120 0.003 0.000 0.244 559 V CA 0.000 62.257 62.300 -0.072 0.000 1.235 559 V CB 0.000 31.784 31.823 -0.065 0.000 1.184 559 V HN 0.000 nan 8.190 nan 0.000 0.556