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 2fpy_1_A DATA FIRST_RESID 33 DATA SEQUENCE GDERFYAEHL MPTLQGLLDP ESAHRLAVRF TSLGLLPRAR FQDSDMLEVR DATA SEQUENCE VLGHKFRNPV GIAAGFDKHG EAVDGLYKMG FGFVEIGSVT PKPQEGNPRP DATA SEQUENCE RVFRLPEDQA VINRYGFNSH GLSVVEHRLR ARQQKQAKLT EDGLPLGVNL DATA SEQUENCE GKNKTSVDAA EDYAEGVRVL GPLADYLVVN VSSPNTAGLR SLQGKAELRR DATA SEQUENCE LLTKVLQERD GLRRVHRPAV LVKIAPDLTS QDKEDIASVV KELGIDGLIV DATA SEQUENCE TNTTVSRPAG LQGALRSETG GLSGKPLRDL STQTIREMYA LTQGRVPIIG DATA SEQUENCE VGGVSSGQDA LEKIRAGASL VQLYTALTFW GPPVVGKVKR ELEALLKEQG DATA SEQUENCE FGGVTDAIGA DHRR 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 33 G HA2 0.000 nan 3.960 nan 0.000 0.244 33 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 33 G C 0.000 174.980 174.900 0.133 0.000 0.946 33 G CA 0.000 45.188 45.100 0.147 0.000 0.502 34 D N 0.943 121.497 120.400 0.257 0.000 2.383 34 D HA 0.087 4.727 4.640 0.000 0.000 0.252 34 D C 1.225 177.701 176.300 0.292 0.000 1.166 34 D CA -0.032 54.106 54.000 0.230 0.000 0.879 34 D CB 1.252 42.186 40.800 0.223 0.000 1.164 34 D HN 0.509 nan 8.370 nan 0.000 0.462 35 E N 3.444 123.736 120.200 0.155 0.000 2.085 35 E HA -0.229 4.121 4.350 0.000 0.000 0.194 35 E C 1.915 178.628 176.600 0.189 0.000 0.994 35 E CA 0.759 57.234 56.400 0.126 0.000 0.801 35 E CB 0.137 29.856 29.700 0.033 0.000 0.743 35 E HN 0.473 nan 8.360 nan 0.000 0.453 36 R N 0.084 120.691 120.500 0.179 0.000 2.092 36 R HA -0.130 4.210 4.340 0.000 0.000 0.231 36 R C 2.184 178.669 176.300 0.309 0.000 1.119 36 R CA 0.892 57.103 56.100 0.185 0.000 0.970 36 R CB -0.185 30.206 30.300 0.150 0.000 0.864 36 R HN 0.151 nan 8.270 nan 0.000 0.440 37 F N 0.147 120.232 119.950 0.226 0.000 2.146 37 F HA -0.182 4.345 4.527 0.000 0.000 0.298 37 F C 1.409 177.367 175.800 0.262 0.000 1.096 37 F CA 1.361 59.500 58.000 0.233 0.000 1.275 37 F CB -0.398 38.682 39.000 0.133 0.000 1.008 37 F HN -0.020 nan 8.300 nan 0.000 0.480 38 Y N 0.050 120.416 120.300 0.111 0.000 2.163 38 Y HA -0.060 4.490 4.550 -0.000 0.000 0.288 38 Y C 2.624 178.574 175.900 0.083 0.000 1.136 38 Y CA 1.510 59.631 58.100 0.036 0.000 1.147 38 Y CB -1.195 37.352 38.460 0.146 0.000 0.987 38 Y HN 0.121 nan 8.280 nan 0.000 0.509 39 A N -0.132 122.887 122.820 0.332 0.000 1.898 39 A HA -0.175 4.145 4.320 0.000 0.000 0.216 39 A C 2.024 179.741 177.584 0.222 0.000 1.181 39 A CA 1.947 54.206 52.037 0.371 0.000 0.620 39 A CB -0.472 18.647 19.000 0.199 0.000 0.819 39 A HN 0.507 nan 8.150 nan 0.000 0.442 40 E N -2.224 118.035 120.200 0.097 0.000 2.250 40 E HA -0.018 4.332 4.350 0.000 0.000 0.192 40 E C 1.481 177.839 176.600 -0.403 0.000 0.986 40 E CA 0.992 57.328 56.400 -0.107 0.000 0.849 40 E CB 0.062 29.698 29.700 -0.106 0.000 0.797 40 E HN 0.846 nan 8.360 nan 0.000 0.482 41 H N -0.724 118.211 119.070 -0.225 0.000 2.179 41 H HA 0.157 4.713 4.556 0.000 0.000 0.246 41 H C 1.747 176.820 175.328 -0.425 0.000 0.904 41 H CA -0.086 55.758 56.048 -0.339 0.000 1.113 41 H CB -0.191 29.296 29.762 -0.459 0.000 1.396 41 H HN -0.091 nan 8.280 nan 0.000 0.484 42 L N 0.245 121.107 121.223 -0.602 0.000 1.955 42 L HA -0.212 4.128 4.340 0.000 0.000 0.213 42 L C 1.852 178.579 176.870 -0.239 0.000 1.072 42 L CA 1.473 56.009 54.840 -0.508 0.000 0.755 42 L CB -0.121 41.437 42.059 -0.835 0.000 0.888 42 L HN 0.236 nan 8.230 nan 0.000 0.432 43 M N -0.541 118.976 119.600 -0.138 0.000 2.080 43 M HA -0.127 4.353 4.480 0.000 0.000 0.260 43 M C 0.037 176.311 176.300 -0.042 0.000 1.068 43 M CA 1.953 57.233 55.300 -0.034 0.000 1.109 43 M CB -2.505 30.139 32.600 0.074 0.000 1.342 43 M HN 0.144 nan 8.290 nan 0.000 0.405 44 P HA -0.102 nan 4.420 nan 0.000 0.215 44 P C 1.569 178.844 177.300 -0.042 0.000 1.153 44 P CA 1.564 64.650 63.100 -0.023 0.000 0.853 44 P CB -0.239 31.443 31.700 -0.030 0.000 0.788 45 T N -0.257 114.261 114.554 -0.061 0.000 2.746 45 T HA -0.133 4.217 4.350 0.000 0.000 0.267 45 T C 1.677 176.347 174.700 -0.049 0.000 1.039 45 T CA 0.943 63.014 62.100 -0.049 0.000 1.142 45 T CB -0.927 67.911 68.868 -0.050 0.000 0.866 45 T HN -0.019 nan 8.240 nan 0.000 0.444 46 L N 1.361 122.543 121.223 -0.068 0.000 2.017 46 L HA -0.085 4.255 4.340 0.000 0.000 0.208 46 L C 2.403 179.235 176.870 -0.064 0.000 1.073 46 L CA 1.781 56.578 54.840 -0.071 0.000 0.745 46 L CB -0.719 41.286 42.059 -0.091 0.000 0.894 46 L HN 0.263 nan 8.230 nan 0.000 0.432 47 Q N -1.072 118.690 119.800 -0.063 0.000 2.291 47 Q HA -0.077 4.263 4.340 0.000 0.000 0.205 47 Q C 1.948 177.922 176.000 -0.043 0.000 0.970 47 Q CA 1.025 56.789 55.803 -0.064 0.000 0.876 47 Q CB -0.371 28.321 28.738 -0.075 0.000 0.935 47 Q HN 0.691 nan 8.270 nan 0.000 0.455 48 G N 0.280 109.060 108.800 -0.033 0.000 2.572 48 G HA2 -0.070 3.890 3.960 0.000 0.000 0.216 48 G HA3 -0.070 3.890 3.960 0.000 0.000 0.216 48 G C 1.278 176.166 174.900 -0.020 0.000 1.133 48 G CA 0.165 45.252 45.100 -0.021 0.000 0.791 48 G HN 0.162 nan 8.290 nan 0.000 0.538 49 L N -0.834 120.373 121.223 -0.026 0.000 2.470 49 L HA 0.427 4.767 4.340 0.000 0.000 0.219 49 L C 0.420 177.274 176.870 -0.026 0.000 1.071 49 L CA 0.165 54.992 54.840 -0.022 0.000 0.850 49 L CB 0.128 42.175 42.059 -0.021 0.000 1.040 49 L HN 0.023 nan 8.230 nan 0.000 0.475 50 L N 0.318 121.519 121.223 -0.037 0.000 2.381 50 L HA 0.329 4.669 4.340 0.000 0.000 0.268 50 L C -0.665 176.178 176.870 -0.046 0.000 0.997 50 L CA -1.004 53.812 54.840 -0.039 0.000 0.818 50 L CB 1.992 44.022 42.059 -0.048 0.000 1.310 50 L HN 0.064 nan 8.230 nan 0.000 0.416 51 D N 1.359 121.732 120.400 -0.045 0.000 2.360 51 D HA 0.111 4.751 4.640 0.000 0.000 0.242 51 D C -2.190 174.066 176.300 -0.073 0.000 1.184 51 D CA -1.380 52.584 54.000 -0.061 0.000 0.930 51 D CB 1.058 41.819 40.800 -0.065 0.000 1.161 51 D HN 0.170 nan 8.370 nan 0.000 0.447 52 P HA -0.229 nan 4.420 nan 0.000 0.216 52 P C 1.374 178.648 177.300 -0.043 0.000 1.167 52 P CA 1.893 64.924 63.100 -0.114 0.000 0.914 52 P CB 0.085 31.667 31.700 -0.196 0.000 0.793 53 E N -0.873 119.290 120.200 -0.062 0.000 2.110 53 E HA -0.142 4.208 4.350 0.000 0.000 0.193 53 E C 1.885 178.531 176.600 0.077 0.000 0.988 53 E CA 1.433 57.865 56.400 0.053 0.000 0.804 53 E CB -0.367 29.328 29.700 -0.008 0.000 0.745 53 E HN 0.074 nan 8.360 nan 0.000 0.458 54 S N 0.164 115.871 115.700 0.012 0.000 2.368 54 S HA -0.113 4.357 4.470 0.000 0.000 0.224 54 S C 2.004 176.600 174.600 -0.007 0.000 1.029 54 S CA 0.834 59.035 58.200 0.002 0.000 0.988 54 S CB -0.203 62.987 63.200 -0.017 0.000 0.838 54 S HN 0.490 nan 8.310 nan 0.000 0.462 55 A N 1.314 124.129 122.820 -0.007 0.000 1.902 55 A HA -0.191 4.129 4.320 0.000 0.000 0.217 55 A C 1.902 179.506 177.584 0.033 0.000 1.181 55 A CA 2.132 54.157 52.037 -0.020 0.000 0.623 55 A CB -0.981 18.000 19.000 -0.032 0.000 0.818 55 A HN 0.608 nan 8.150 nan 0.000 0.443 56 H N -0.042 119.022 119.070 -0.009 0.000 2.321 56 H HA -0.047 4.509 4.556 0.000 0.000 0.300 56 H C 2.194 177.490 175.328 -0.053 0.000 1.087 56 H CA 2.096 58.151 56.048 0.011 0.000 1.319 56 H CB -0.199 29.590 29.762 0.046 0.000 1.379 56 H HN 0.443 nan 8.280 nan 0.000 0.501 57 R N -0.602 119.790 120.500 -0.180 0.000 2.091 57 R HA -0.117 4.223 4.340 0.000 0.000 0.238 57 R C 2.338 178.545 176.300 -0.154 0.000 1.136 57 R CA 1.401 57.367 56.100 -0.222 0.000 0.959 57 R CB -0.468 29.793 30.300 -0.065 0.000 0.856 57 R HN 0.293 nan 8.270 nan 0.000 0.437 58 L N 0.717 121.879 121.223 -0.100 0.000 2.093 58 L HA -0.066 4.274 4.340 0.000 0.000 0.208 58 L C 2.277 179.089 176.870 -0.096 0.000 1.085 58 L CA 1.769 56.553 54.840 -0.094 0.000 0.755 58 L CB -0.563 41.377 42.059 -0.200 0.000 0.904 58 L HN 0.130 nan 8.230 nan 0.000 0.435 59 A N -1.142 121.625 122.820 -0.088 0.000 1.883 59 A HA -0.171 4.149 4.320 0.000 0.000 0.217 59 A C 2.260 179.913 177.584 0.114 0.000 1.186 59 A CA 2.122 54.201 52.037 0.070 0.000 0.624 59 A CB -1.122 18.035 19.000 0.262 0.000 0.822 59 A HN 0.288 nan 8.150 nan 0.000 0.444 60 V N 0.063 119.872 119.914 -0.175 0.000 2.295 60 V HA -0.274 3.846 4.120 0.000 0.000 0.246 60 V C 2.664 178.752 176.094 -0.011 0.000 1.049 60 V CA 2.228 64.386 62.300 -0.237 0.000 1.024 60 V CB -0.841 30.684 31.823 -0.496 0.000 0.648 60 V HN 0.518 nan 8.190 nan 0.000 0.447 61 R N -0.976 119.550 120.500 0.044 0.000 2.070 61 R HA -0.153 4.187 4.340 0.000 0.000 0.233 61 R C 2.282 178.723 176.300 0.235 0.000 1.137 61 R CA 1.836 58.017 56.100 0.135 0.000 0.945 61 R CB -0.570 29.836 30.300 0.176 0.000 0.845 61 R HN 0.393 nan 8.270 nan 0.000 0.430 62 F N 0.981 120.952 119.950 0.035 0.000 2.126 62 F HA -0.182 4.345 4.527 0.000 0.000 0.299 62 F C 2.618 178.465 175.800 0.078 0.000 1.096 62 F CA 1.421 59.459 58.000 0.064 0.000 1.255 62 F CB -0.901 38.152 39.000 0.087 0.000 0.997 62 F HN 0.006 nan 8.300 nan 0.000 0.479 63 T N -0.744 113.986 114.554 0.292 0.000 2.746 63 T HA -0.169 4.181 4.350 0.000 0.000 0.267 63 T C 2.253 177.034 174.700 0.136 0.000 1.039 63 T CA 1.680 63.910 62.100 0.216 0.000 1.142 63 T CB -0.568 68.463 68.868 0.272 0.000 0.866 63 T HN 0.385 nan 8.240 nan 0.000 0.444 64 S N 1.412 117.174 115.700 0.103 0.000 2.447 64 S HA 0.092 4.562 4.470 0.000 0.000 0.233 64 S C 1.847 176.474 174.600 0.045 0.000 1.006 64 S CA 0.572 58.809 58.200 0.062 0.000 0.957 64 S CB -0.598 62.625 63.200 0.039 0.000 0.773 64 S HN 0.439 nan 8.310 nan 0.000 0.507 65 L N 0.883 122.127 121.223 0.034 0.000 2.591 65 L HA 0.315 4.655 4.340 0.000 0.000 0.228 65 L C 1.850 178.716 176.870 -0.007 0.000 1.133 65 L CA 0.365 55.198 54.840 -0.011 0.000 0.880 65 L CB -0.579 41.431 42.059 -0.080 0.000 1.033 65 L HN 0.592 nan 8.230 nan 0.000 0.450 66 G N 0.707 109.527 108.800 0.034 0.000 2.148 66 G HA2 -0.288 3.672 3.960 0.000 0.000 0.254 66 G HA3 -0.288 3.672 3.960 0.000 0.000 0.254 66 G C 0.333 175.257 174.900 0.039 0.000 0.981 66 G CA -0.205 44.921 45.100 0.044 0.000 0.670 66 G HN 0.272 nan 8.290 nan 0.000 0.528 67 L N 0.776 122.011 121.223 0.020 0.000 2.382 67 L HA 0.486 4.826 4.340 0.000 0.000 0.259 67 L C 0.546 177.517 176.870 0.168 0.000 1.291 67 L CA 0.124 54.975 54.840 0.019 0.000 1.176 67 L CB -0.269 41.661 42.059 -0.216 0.000 1.373 67 L HN 0.156 nan 8.230 nan 0.000 0.426 68 L N 2.635 123.942 121.223 0.139 0.000 2.371 68 L HA 0.639 4.979 4.340 0.000 0.000 0.262 68 L C -2.106 174.839 176.870 0.125 0.000 1.006 68 L CA -1.891 53.041 54.840 0.152 0.000 0.818 68 L CB 2.192 44.315 42.059 0.106 0.000 1.354 68 L HN 0.210 nan 8.230 nan 0.000 0.415 69 P HA 0.231 nan 4.420 nan 0.000 0.275 69 P C -1.021 176.296 177.300 0.028 0.000 1.228 69 P CA -0.562 62.587 63.100 0.082 0.000 0.786 69 P CB 0.684 32.373 31.700 -0.017 0.000 0.927 70 R N 1.193 121.717 120.500 0.039 0.000 2.522 70 R HA 0.259 4.599 4.340 0.000 0.000 0.284 70 R C 0.467 176.774 176.300 0.012 0.000 1.032 70 R CA -0.112 56.004 56.100 0.027 0.000 1.049 70 R CB 0.110 30.428 30.300 0.030 0.000 0.956 70 R HN 0.518 nan 8.270 nan 0.000 0.422 71 A N 4.596 127.425 122.820 0.015 0.000 2.805 71 A HA 0.074 4.394 4.320 0.000 0.000 0.301 71 A C 1.363 178.975 177.584 0.045 0.000 1.557 71 A CA -0.544 51.506 52.037 0.020 0.000 1.254 71 A CB -0.147 18.865 19.000 0.021 0.000 1.114 71 A HN 0.920 nan 8.150 nan 0.000 0.553 72 R N 1.738 122.269 120.500 0.052 0.000 2.096 72 R HA -0.145 4.195 4.340 0.000 0.000 0.240 72 R C 0.622 176.968 176.300 0.077 0.000 1.139 72 R CA 0.933 57.067 56.100 0.056 0.000 0.952 72 R CB -0.608 29.728 30.300 0.061 0.000 0.854 72 R HN 0.481 nan 8.270 nan 0.000 0.436 73 F N 3.139 123.077 119.950 -0.020 0.000 2.602 73 F HA -0.030 4.497 4.527 0.000 0.000 0.385 73 F C -0.073 175.723 175.800 -0.007 0.000 1.063 73 F CA 0.400 58.392 58.000 -0.014 0.000 1.233 73 F CB 0.498 39.484 39.000 -0.023 0.000 1.067 73 F HN 0.118 nan 8.300 nan 0.000 0.564 74 Q N 5.037 124.363 119.800 -0.789 0.000 2.325 74 Q HA 0.190 4.530 4.340 0.000 0.000 0.262 74 Q C -0.955 174.549 176.000 -0.828 0.000 0.968 74 Q CA -1.120 54.352 55.803 -0.552 0.000 0.877 74 Q CB 1.287 29.827 28.738 -0.329 0.000 1.253 74 Q HN 0.538 nan 8.270 nan 0.000 0.448 75 D N 2.041 122.237 120.400 -0.341 0.000 2.458 75 D HA 0.024 4.664 4.640 0.000 0.000 0.243 75 D C 0.061 176.300 176.300 -0.101 0.000 1.146 75 D CA 0.429 54.371 54.000 -0.097 0.000 0.877 75 D CB 0.824 41.677 40.800 0.089 0.000 1.176 75 D HN 0.466 nan 8.370 nan 0.000 0.461 76 S N 1.037 116.725 115.700 -0.019 0.000 2.690 76 S HA 0.255 4.725 4.470 0.000 0.000 0.291 76 S C 0.630 175.260 174.600 0.049 0.000 1.138 76 S CA -0.826 57.374 58.200 -0.000 0.000 1.013 76 S CB 1.663 64.877 63.200 0.023 0.000 1.053 76 S HN 0.158 nan 8.310 nan 0.000 0.539 77 D N 0.796 121.218 120.400 0.037 0.000 2.221 77 D HA -0.084 4.556 4.640 0.000 0.000 0.204 77 D C 1.689 178.027 176.300 0.064 0.000 0.982 77 D CA 1.298 55.326 54.000 0.047 0.000 0.857 77 D CB -0.371 40.450 40.800 0.035 0.000 0.934 77 D HN 0.547 nan 8.370 nan 0.000 0.475 78 M N -0.300 119.343 119.600 0.072 0.000 2.149 78 M HA -0.119 4.361 4.480 0.000 0.000 0.261 78 M C 1.780 178.133 176.300 0.088 0.000 1.064 78 M CA 1.062 56.411 55.300 0.081 0.000 1.102 78 M CB -0.086 32.570 32.600 0.092 0.000 1.369 78 M HN 0.041 nan 8.290 nan 0.000 0.408 79 L N -0.788 120.501 121.223 0.111 0.000 2.554 79 L HA 0.031 4.371 4.340 0.000 0.000 0.226 79 L C 1.055 177.996 176.870 0.119 0.000 1.137 79 L CA -0.089 54.824 54.840 0.122 0.000 0.863 79 L CB -0.421 41.744 42.059 0.177 0.000 0.985 79 L HN 0.265 nan 8.230 nan 0.000 0.451 80 E N 1.108 121.372 120.200 0.108 0.000 2.384 80 E HA 0.237 4.587 4.350 0.000 0.000 0.266 80 E C -1.162 175.499 176.600 0.102 0.000 1.012 80 E CA -0.133 56.337 56.400 0.116 0.000 0.901 80 E CB 1.013 30.769 29.700 0.093 0.000 0.967 80 E HN -0.131 nan 8.360 nan 0.000 0.435 81 V N 4.837 124.833 119.914 0.136 0.000 2.760 81 V HA 0.375 4.495 4.120 0.000 0.000 0.309 81 V C -0.464 175.734 176.094 0.174 0.000 1.077 81 V CA -0.842 61.514 62.300 0.093 0.000 0.910 81 V CB 1.907 33.725 31.823 -0.008 0.000 1.008 81 V HN 0.683 nan 8.190 nan 0.000 0.424 82 R N 3.165 123.733 120.500 0.114 0.000 2.310 82 R HA 0.870 5.210 4.340 0.000 0.000 0.324 82 R C -1.661 174.697 176.300 0.097 0.000 0.955 82 R CA -0.244 55.943 56.100 0.145 0.000 0.830 82 R CB 1.726 32.076 30.300 0.083 0.000 1.154 82 R HN 0.605 nan 8.270 nan 0.000 0.458 83 V N 5.372 125.386 119.914 0.165 0.000 3.264 83 V HA 0.273 4.393 4.120 0.000 0.000 0.294 83 V C -0.328 175.867 176.094 0.167 0.000 1.429 83 V CA -0.802 61.538 62.300 0.065 0.000 1.053 83 V CB 1.893 33.655 31.823 -0.101 0.000 1.128 83 V HN 0.976 nan 8.190 nan 0.000 0.452 84 L N 3.534 124.799 121.223 0.070 0.000 4.001 84 L HA -0.201 4.139 4.340 0.000 0.000 0.413 84 L C 1.246 178.183 176.870 0.111 0.000 1.185 84 L CA 1.001 55.904 54.840 0.105 0.000 0.963 84 L CB -1.633 40.516 42.059 0.149 0.000 1.976 84 L HN 1.735 nan 8.230 nan 0.000 0.939 85 G N -1.169 107.631 108.800 0.000 0.000 2.160 85 G HA2 -0.267 3.693 3.960 0.000 0.000 0.251 85 G HA3 -0.267 3.693 3.960 0.000 0.000 0.251 85 G C 0.118 174.733 174.900 -0.476 0.000 1.008 85 G CA 0.601 45.584 45.100 -0.196 0.000 0.724 85 G HN 0.648 nan 8.290 nan 0.000 0.514 86 H N -1.293 117.818 119.070 0.068 0.000 2.990 86 H HA 0.496 5.052 4.556 -0.000 0.000 0.343 86 H C -0.410 174.922 175.328 0.007 0.000 1.270 86 H CA -0.603 55.426 56.048 -0.031 0.000 1.118 86 H CB 1.762 31.410 29.762 -0.191 0.000 1.861 86 H HN 0.243 nan 8.280 nan 0.000 0.544 87 K N 1.438 121.859 120.400 0.035 0.000 2.159 87 K HA 0.421 4.741 4.320 0.000 0.000 0.266 87 K C -1.456 175.084 176.600 -0.100 0.000 0.975 87 K CA -0.416 55.909 56.287 0.063 0.000 0.865 87 K CB 0.664 33.186 32.500 0.036 0.000 1.087 87 K HN 0.203 nan 8.250 nan 0.000 0.446 88 F N 4.171 124.150 119.950 0.048 0.000 2.460 88 F HA 0.320 4.847 4.527 0.000 0.000 0.341 88 F C 1.321 177.174 175.800 0.089 0.000 1.130 88 F CA -0.957 57.084 58.000 0.068 0.000 0.962 88 F CB 1.692 40.700 39.000 0.013 0.000 1.171 88 F HN 0.642 nan 8.300 nan 0.000 0.436 89 R N 1.654 122.286 120.500 0.220 0.000 2.127 89 R HA -0.148 4.192 4.340 0.000 0.000 0.238 89 R C -0.429 175.998 176.300 0.213 0.000 1.134 89 R CA 1.767 57.971 56.100 0.174 0.000 0.975 89 R CB -0.456 29.921 30.300 0.130 0.000 0.865 89 R HN 0.725 nan 8.270 nan 0.000 0.447 90 N N -1.543 117.329 118.700 0.285 0.000 2.396 90 N HA 0.240 4.980 4.740 0.000 0.000 0.275 90 N C -2.717 172.987 175.510 0.322 0.000 1.218 90 N CA -2.002 51.207 53.050 0.264 0.000 0.812 90 N CB 2.204 40.843 38.487 0.253 0.000 1.592 90 N HN -0.266 nan 8.380 nan 0.000 0.480 91 P HA 0.094 nan 4.420 nan 0.000 0.255 91 P C -0.706 176.808 177.300 0.356 0.000 1.301 91 P CA 0.137 63.368 63.100 0.218 0.000 0.817 91 P CB 0.228 31.972 31.700 0.074 0.000 1.259 92 V N 0.585 120.705 119.914 0.345 0.000 2.333 92 V HA 0.609 4.729 4.120 0.000 0.000 0.274 92 V C 0.928 177.177 176.094 0.258 0.000 1.028 92 V CA -0.385 62.080 62.300 0.274 0.000 0.851 92 V CB 1.052 32.967 31.823 0.154 0.000 1.000 92 V HN 0.107 nan 8.190 nan 0.000 0.456 93 G N 3.424 112.139 108.800 -0.141 0.000 2.568 93 G HA2 0.685 4.645 3.960 0.000 0.000 0.313 93 G HA3 0.685 4.645 3.960 0.000 0.000 0.313 93 G C -1.184 173.285 174.900 -0.718 0.000 1.227 93 G CA -0.812 43.775 45.100 -0.854 0.000 0.979 93 G HN 0.575 nan 8.290 nan 0.000 0.486 94 I N 1.227 121.055 120.570 -1.237 0.000 2.342 94 I HA 0.618 4.788 4.170 0.000 0.000 0.291 94 I C 0.805 176.551 176.117 -0.618 0.000 1.010 94 I CA -0.574 59.976 61.300 -1.251 0.000 1.308 94 I CB 0.733 37.778 38.000 -1.593 0.000 1.400 94 I HN 0.656 nan 8.210 nan 0.000 0.488 95 A N 6.291 128.893 122.820 -0.365 0.000 2.366 95 A HA 0.705 5.025 4.320 0.000 0.000 0.249 95 A C 0.478 177.968 177.584 -0.157 0.000 1.084 95 A CA -0.032 51.915 52.037 -0.149 0.000 0.794 95 A CB -0.136 18.876 19.000 0.020 0.000 1.034 95 A HN 1.113 nan 8.150 nan 0.000 0.491 96 A N -0.459 122.336 122.820 -0.043 0.000 2.466 96 A HA 0.493 4.813 4.320 0.000 0.000 0.238 96 A C 1.564 179.136 177.584 -0.020 0.000 1.074 96 A CA 0.883 52.893 52.037 -0.045 0.000 0.774 96 A CB -0.504 18.512 19.000 0.027 0.000 1.015 96 A HN 2.720 nan 8.150 nan 0.000 0.498 97 G N -0.323 108.424 108.800 -0.087 0.000 2.284 97 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 97 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 97 G C 0.860 175.643 174.900 -0.195 0.000 1.009 97 G CA 0.929 46.004 45.100 -0.042 0.000 0.625 97 G HN 1.303 nan 8.290 nan 0.000 0.501 98 F N 2.029 121.582 119.950 -0.662 0.000 2.118 98 F HA 0.368 4.895 4.527 -0.000 0.000 0.293 98 F C 0.953 176.620 175.800 -0.222 0.000 1.102 98 F CA 1.567 59.175 58.000 -0.654 0.000 1.247 98 F CB 0.353 38.767 39.000 -0.977 0.000 1.017 98 F HN 0.068 nan 8.300 nan 0.000 0.475 99 D N 0.483 120.679 120.400 -0.339 0.000 2.514 99 D HA 0.151 4.791 4.640 0.000 0.000 0.267 99 D C 0.795 176.864 176.300 -0.386 0.000 1.165 99 D CA -0.007 53.764 54.000 -0.380 0.000 0.958 99 D CB 0.346 41.024 40.800 -0.203 0.000 0.992 99 D HN 0.187 nan 8.370 nan 0.000 0.506 100 K N 0.144 120.207 120.400 -0.562 0.000 2.147 100 K HA -0.092 4.228 4.320 0.000 0.000 0.205 100 K C 0.764 176.982 176.600 -0.636 0.000 1.049 100 K CA 0.934 56.831 56.287 -0.649 0.000 0.936 100 K CB 0.195 32.172 32.500 -0.872 0.000 0.722 100 K HN 0.480 nan 8.250 nan 0.000 0.446 101 H N -1.210 117.681 119.070 -0.299 0.000 2.542 101 H HA 0.210 4.766 4.556 -0.000 0.000 0.283 101 H C 0.739 175.972 175.328 -0.159 0.000 1.059 101 H CA 0.432 56.304 56.048 -0.294 0.000 1.162 101 H CB 0.708 30.095 29.762 -0.624 0.000 1.539 101 H HN 0.318 nan 8.280 nan 0.000 0.543 102 G N 2.070 110.807 108.800 -0.105 0.000 2.272 102 G HA2 -0.309 3.651 3.960 0.000 0.000 0.280 102 G HA3 -0.309 3.651 3.960 0.000 0.000 0.280 102 G C 0.583 175.466 174.900 -0.028 0.000 1.067 102 G CA 0.504 45.565 45.100 -0.066 0.000 0.902 102 G HN 0.527 nan 8.290 nan 0.000 0.500 103 E N -0.757 119.416 120.200 -0.045 0.000 2.452 103 E HA 0.422 4.772 4.350 0.000 0.000 0.197 103 E C 1.848 178.438 176.600 -0.016 0.000 1.022 103 E CA 0.594 56.986 56.400 -0.012 0.000 0.890 103 E CB 0.477 30.174 29.700 -0.004 0.000 0.918 103 E HN 0.803 nan 8.360 nan 0.000 0.496 104 A N 0.496 123.295 122.820 -0.034 0.000 2.568 104 A HA 0.238 4.558 4.320 0.000 0.000 0.287 104 A C 1.467 179.047 177.584 -0.007 0.000 0.967 104 A CA -0.261 51.779 52.037 0.005 0.000 1.004 104 A CB 0.046 19.067 19.000 0.036 0.000 1.233 104 A HN 0.033 nan 8.150 nan 0.000 0.513 105 V N 0.499 120.390 119.914 -0.039 0.000 2.252 105 V HA -0.300 3.820 4.120 0.000 0.000 0.249 105 V C 2.202 178.255 176.094 -0.069 0.000 1.056 105 V CA 2.608 64.844 62.300 -0.107 0.000 1.022 105 V CB -0.505 31.294 31.823 -0.040 0.000 0.641 105 V HN 0.587 nan 8.190 nan 0.000 0.445 106 D N 0.433 120.888 120.400 0.091 0.000 2.144 106 D HA -0.121 4.520 4.640 0.000 0.000 0.199 106 D C 2.185 178.578 176.300 0.155 0.000 0.984 106 D CA 1.715 55.835 54.000 0.200 0.000 0.834 106 D CB -0.390 40.500 40.800 0.150 0.000 0.955 106 D HN 0.533 nan 8.370 nan 0.000 0.465 107 G N 0.874 109.732 108.800 0.097 0.000 2.422 107 G HA2 -0.164 3.796 3.960 0.000 0.000 0.218 107 G HA3 -0.164 3.796 3.960 0.000 0.000 0.218 107 G C 1.834 176.801 174.900 0.112 0.000 1.140 107 G CA 0.112 45.276 45.100 0.106 0.000 0.775 107 G HN 0.221 nan 8.290 nan 0.000 0.545 108 L N -1.142 120.116 121.223 0.059 0.000 2.109 108 L HA 0.008 4.348 4.340 0.000 0.000 0.207 108 L C 2.594 179.546 176.870 0.137 0.000 1.086 108 L CA 0.750 55.637 54.840 0.078 0.000 0.760 108 L CB -0.355 41.634 42.059 -0.117 0.000 0.910 108 L HN 0.236 nan 8.230 nan 0.000 0.437 109 Y N -0.058 120.337 120.300 0.157 0.000 2.242 109 Y HA -0.262 4.288 4.550 0.000 0.000 0.291 109 Y C 2.706 178.665 175.900 0.099 0.000 1.137 109 Y CA 1.132 59.315 58.100 0.138 0.000 1.181 109 Y CB -0.074 38.443 38.460 0.094 0.000 0.989 109 Y HN 0.082 nan 8.280 nan 0.000 0.527 110 K N 0.501 121.038 120.400 0.228 0.000 2.209 110 K HA -0.213 4.107 4.320 0.000 0.000 0.204 110 K C 2.038 178.688 176.600 0.084 0.000 1.048 110 K CA 1.147 57.516 56.287 0.137 0.000 0.940 110 K CB -0.189 32.378 32.500 0.111 0.000 0.729 110 K HN 0.320 nan 8.250 nan 0.000 0.451 111 M N -0.946 118.698 119.600 0.073 0.000 2.374 111 M HA -0.054 4.426 4.480 0.000 0.000 0.264 111 M C 0.784 176.993 176.300 -0.152 0.000 1.067 111 M CA 1.624 56.902 55.300 -0.038 0.000 1.103 111 M CB 0.368 32.951 32.600 -0.027 0.000 1.402 111 M HN 0.506 nan 8.290 nan 0.000 0.444 112 G N -0.722 108.039 108.800 -0.064 0.000 2.205 112 G HA2 -0.191 3.769 3.960 0.000 0.000 0.180 112 G HA3 -0.191 3.769 3.960 0.000 0.000 0.180 112 G C -0.069 174.792 174.900 -0.065 0.000 1.004 112 G CA -0.677 44.384 45.100 -0.065 0.000 0.670 112 G HN 0.359 nan 8.290 nan 0.000 0.496 113 F N 1.251 121.243 119.950 0.070 0.000 2.529 113 F HA 0.430 4.957 4.527 0.000 0.000 0.365 113 F C 1.889 177.815 175.800 0.211 0.000 1.102 113 F CA 0.942 58.972 58.000 0.050 0.000 1.271 113 F CB 1.309 40.246 39.000 -0.105 0.000 1.120 113 F HN 0.018 nan 8.300 nan 0.000 0.579 114 G N 3.232 112.312 108.800 0.466 0.000 2.511 114 G HA2 0.043 4.003 3.960 0.000 0.000 0.217 114 G HA3 0.043 4.003 3.960 0.000 0.000 0.217 114 G C -0.240 175.117 174.900 0.762 0.000 1.133 114 G CA 0.284 45.717 45.100 0.554 0.000 0.792 114 G HN 0.606 nan 8.290 nan 0.000 0.539 115 F N -2.705 117.521 119.950 0.461 0.000 2.703 115 F HA 0.690 5.216 4.527 -0.000 0.000 0.308 115 F C -1.479 174.434 175.800 0.189 0.000 1.126 115 F CA -1.617 56.648 58.000 0.442 0.000 0.959 115 F CB 1.395 40.733 39.000 0.563 0.000 1.297 115 F HN -0.158 nan 8.300 nan 0.000 0.441 116 V N 1.388 121.349 119.914 0.079 0.000 2.604 116 V HA 0.507 4.627 4.120 0.000 0.000 0.305 116 V C -0.986 175.043 176.094 -0.108 0.000 1.043 116 V CA -0.595 61.544 62.300 -0.269 0.000 0.888 116 V CB 1.758 33.262 31.823 -0.532 0.000 0.995 116 V HN 0.881 nan 8.190 nan 0.000 0.429 117 E N 4.280 124.374 120.200 -0.177 0.000 2.191 117 E HA 0.613 4.963 4.350 0.000 0.000 0.263 117 E C -0.950 175.556 176.600 -0.156 0.000 0.881 117 E CA -0.619 55.718 56.400 -0.106 0.000 0.757 117 E CB 1.694 31.419 29.700 0.042 0.000 1.147 117 E HN 0.749 nan 8.360 nan 0.000 0.414 118 I N 1.154 121.633 120.570 -0.153 0.000 2.793 118 I HA 0.939 5.109 4.170 0.000 0.000 0.313 118 I C 0.507 176.540 176.117 -0.140 0.000 0.998 118 I CA -0.202 61.003 61.300 -0.159 0.000 1.140 118 I CB 1.748 39.660 38.000 -0.147 0.000 1.327 118 I HN 0.725 nan 8.210 nan 0.000 0.491 119 G N 2.228 110.925 108.800 -0.171 0.000 2.422 119 G HA2 -0.073 3.887 3.960 0.000 0.000 0.607 119 G HA3 -0.073 3.887 3.960 0.000 0.000 0.607 119 G C -0.732 174.084 174.900 -0.139 0.000 1.270 119 G CA -0.434 44.573 45.100 -0.155 0.000 0.992 119 G HN 0.868 nan 8.290 nan 0.000 0.499 120 S N -1.093 114.553 115.700 -0.090 0.000 2.572 120 S HA 0.501 4.971 4.470 0.000 0.000 0.279 120 S C 0.467 174.916 174.600 -0.252 0.000 1.341 120 S CA -0.103 57.990 58.200 -0.179 0.000 1.043 120 S CB 1.398 64.417 63.200 -0.303 0.000 0.887 120 S HN 1.189 nan 8.310 nan 0.000 0.516 121 V N 2.920 122.688 119.914 -0.244 0.000 2.459 121 V HA 0.529 4.649 4.120 0.000 0.000 0.295 121 V C 0.505 176.443 176.094 -0.261 0.000 1.029 121 V CA -0.880 61.306 62.300 -0.190 0.000 0.874 121 V CB 1.623 33.378 31.823 -0.114 0.000 0.985 121 V HN 1.029 nan 8.190 nan 0.000 0.438 122 T N 2.199 116.620 114.554 -0.222 0.000 2.943 122 T HA 0.472 4.822 4.350 0.000 0.000 0.284 122 T C -2.047 172.572 174.700 -0.135 0.000 1.015 122 T CA -2.078 59.885 62.100 -0.228 0.000 1.042 122 T CB 2.126 70.887 68.868 -0.179 0.000 1.055 122 T HN 0.340 nan 8.240 nan 0.000 0.500 123 P HA -0.062 nan 4.420 nan 0.000 0.213 123 P C 0.301 177.569 177.300 -0.052 0.000 1.170 123 P CA 1.339 64.386 63.100 -0.088 0.000 0.902 123 P CB 0.177 31.823 31.700 -0.090 0.000 0.789 124 K N -1.277 119.098 120.400 -0.041 0.000 2.123 124 K HA 0.421 4.741 4.320 0.000 0.000 0.248 124 K C -2.523 174.073 176.600 -0.007 0.000 0.969 124 K CA -2.766 53.510 56.287 -0.019 0.000 0.882 124 K CB -0.196 32.296 32.500 -0.013 0.000 1.080 124 K HN -0.151 nan 8.250 nan 0.000 0.441 125 P HA 0.060 nan 4.420 nan 0.000 0.271 125 P C -1.001 176.314 177.300 0.025 0.000 1.218 125 P CA 0.007 63.117 63.100 0.016 0.000 0.780 125 P CB 0.457 32.156 31.700 -0.001 0.000 0.901 126 Q N -0.130 119.699 119.800 0.049 0.000 2.426 126 Q HA 0.345 4.685 4.340 0.000 0.000 0.278 126 Q C -0.232 175.819 176.000 0.085 0.000 1.007 126 Q CA -0.739 55.101 55.803 0.061 0.000 0.850 126 Q CB 1.458 30.239 28.738 0.072 0.000 1.427 126 Q HN 0.255 nan 8.270 nan 0.000 0.391 127 E N 1.227 121.473 120.200 0.076 0.000 2.216 127 E HA 0.121 4.471 4.350 0.000 0.000 0.192 127 E C 0.706 177.378 176.600 0.119 0.000 0.988 127 E CA 0.914 57.367 56.400 0.088 0.000 0.834 127 E CB 0.060 29.796 29.700 0.061 0.000 0.772 127 E HN 0.865 nan 8.360 nan 0.000 0.479 128 G N 1.345 110.217 108.800 0.120 0.000 2.660 128 G HA2 -0.214 3.746 3.960 0.000 0.000 0.215 128 G HA3 -0.214 3.746 3.960 0.000 0.000 0.215 128 G C -0.511 174.443 174.900 0.090 0.000 1.345 128 G CA -0.492 44.690 45.100 0.137 0.000 0.877 128 G HN 0.110 nan 8.290 nan 0.000 0.549 129 N N 2.039 120.783 118.700 0.073 0.000 2.424 129 N HA 0.482 5.222 4.740 0.000 0.000 0.257 129 N C -1.836 173.683 175.510 0.016 0.000 1.250 129 N CA -0.410 52.659 53.050 0.032 0.000 0.946 129 N CB 0.495 38.988 38.487 0.010 0.000 1.175 129 N HN 0.556 nan 8.380 nan 0.000 0.477 130 P HA 0.162 nan 4.420 nan 0.000 0.272 130 P C -0.475 176.809 177.300 -0.026 0.000 1.223 130 P CA -0.024 63.077 63.100 0.000 0.000 0.784 130 P CB 1.110 32.814 31.700 0.007 0.000 0.923 131 R N 1.602 122.080 120.500 -0.036 0.000 2.500 131 R HA 0.465 4.805 4.340 0.000 0.000 0.277 131 R C -1.500 174.775 176.300 -0.042 0.000 1.026 131 R CA -1.538 54.515 56.100 -0.077 0.000 1.058 131 R CB -0.208 30.046 30.300 -0.077 0.000 1.078 131 R HN 0.512 nan 8.270 nan 0.000 0.509 132 P HA 0.147 nan 4.420 nan 0.000 0.275 132 P C -0.632 176.502 177.300 -0.276 0.000 1.228 132 P CA -0.348 62.626 63.100 -0.211 0.000 0.786 132 P CB 0.871 32.446 31.700 -0.209 0.000 0.927 133 R N 0.272 120.450 120.500 -0.536 0.000 2.549 133 R HA 0.475 4.815 4.340 0.000 0.000 0.399 133 R C -0.498 175.364 176.300 -0.730 0.000 0.964 133 R CA -0.441 55.372 56.100 -0.478 0.000 1.173 133 R CB 0.295 30.362 30.300 -0.388 0.000 1.535 133 R HN 0.260 nan 8.270 nan 0.000 0.551 134 V N 1.320 120.571 119.914 -1.105 0.000 2.808 134 V HA 0.661 4.781 4.120 0.000 0.000 0.308 134 V C -2.052 173.403 176.094 -1.064 0.000 1.099 134 V CA -0.765 61.046 62.300 -0.815 0.000 0.920 134 V CB 1.965 33.442 31.823 -0.577 0.000 1.014 134 V HN 0.192 nan 8.190 nan 0.000 0.425 135 F N 4.830 124.701 119.950 -0.132 0.000 2.578 135 F HA 0.689 5.216 4.527 0.000 0.000 0.311 135 F C 0.276 176.026 175.800 -0.085 0.000 1.094 135 F CA -0.782 57.160 58.000 -0.096 0.000 0.923 135 F CB 2.084 41.039 39.000 -0.076 0.000 1.230 135 F HN 0.287 nan 8.300 nan 0.000 0.450 136 R N 1.960 122.511 120.500 0.086 0.000 2.404 136 R HA 0.655 4.995 4.340 0.000 0.000 0.291 136 R C -1.309 175.058 176.300 0.111 0.000 1.025 136 R CA -0.861 55.267 56.100 0.048 0.000 0.991 136 R CB 1.057 31.349 30.300 -0.014 0.000 1.053 136 R HN 0.438 nan 8.270 nan 0.000 0.479 137 L N 5.185 126.501 121.223 0.155 0.000 2.556 137 L HA 0.289 4.629 4.340 0.000 0.000 0.243 137 L C -1.963 174.990 176.870 0.137 0.000 1.331 137 L CA -1.672 53.237 54.840 0.114 0.000 0.927 137 L CB 1.400 43.505 42.059 0.075 0.000 1.219 137 L HN 0.412 nan 8.230 nan 0.000 0.490 138 P HA -0.208 nan 4.420 nan 0.000 0.216 138 P C 1.007 178.289 177.300 -0.031 0.000 1.157 138 P CA 1.324 64.494 63.100 0.115 0.000 0.880 138 P CB 0.432 32.199 31.700 0.111 0.000 0.791 139 E N -0.878 119.318 120.200 -0.007 0.000 2.265 139 E HA -0.136 4.214 4.350 0.000 0.000 0.196 139 E C 1.050 177.621 176.600 -0.049 0.000 0.996 139 E CA 1.045 57.430 56.400 -0.025 0.000 0.832 139 E CB -0.582 29.112 29.700 -0.009 0.000 0.756 139 E HN 0.405 nan 8.360 nan 0.000 0.491 140 D N -0.487 119.878 120.400 -0.059 0.000 2.433 140 D HA 0.027 4.667 4.640 0.000 0.000 0.211 140 D C -0.227 175.991 176.300 -0.137 0.000 1.114 140 D CA 0.015 53.976 54.000 -0.065 0.000 0.837 140 D CB 0.414 41.199 40.800 -0.025 0.000 0.984 140 D HN 0.060 nan 8.370 nan 0.000 0.505 141 Q N -0.055 119.557 119.800 -0.315 0.000 2.451 141 Q HA -0.185 4.155 4.340 0.000 0.000 0.305 141 Q C -0.366 175.459 176.000 -0.291 0.000 1.345 141 Q CA 0.561 55.910 55.803 -0.757 0.000 0.854 141 Q CB -1.270 27.181 28.738 -0.479 0.000 1.162 141 Q HN 0.377 nan 8.270 nan 0.000 0.440 142 A N -0.738 122.102 122.820 0.032 0.000 2.485 142 A HA 0.932 5.252 4.320 0.000 0.000 0.292 142 A C -0.779 176.939 177.584 0.223 0.000 1.147 142 A CA -0.475 51.654 52.037 0.154 0.000 0.750 142 A CB 2.130 21.162 19.000 0.053 0.000 1.331 142 A HN 0.118 nan 8.150 nan 0.000 0.419 143 V N 0.307 120.276 119.914 0.093 0.000 3.049 143 V HA 0.537 4.657 4.120 0.000 0.000 0.309 143 V C -1.044 175.060 176.094 0.017 0.000 1.148 143 V CA -0.270 62.041 62.300 0.019 0.000 0.990 143 V CB 2.018 33.773 31.823 -0.113 0.000 1.039 143 V HN 0.741 nan 8.190 nan 0.000 0.430 144 I N 3.530 124.132 120.570 0.054 0.000 2.466 144 I HA 0.504 4.674 4.170 0.000 0.000 0.289 144 I C -0.826 175.352 176.117 0.101 0.000 1.026 144 I CA -0.416 60.932 61.300 0.079 0.000 1.078 144 I CB 2.119 40.180 38.000 0.102 0.000 1.249 144 I HN 0.927 nan 8.210 nan 0.000 0.429 145 N N 4.825 123.552 118.700 0.046 0.000 2.242 145 N HA 0.649 5.389 4.740 0.000 0.000 0.292 145 N C -0.805 174.715 175.510 0.017 0.000 1.125 145 N CA -1.058 51.989 53.050 -0.004 0.000 0.783 145 N CB 1.636 40.132 38.487 0.016 0.000 1.558 145 N HN 0.587 nan 8.380 nan 0.000 0.472 146 R N 0.744 121.221 120.500 -0.038 0.000 2.647 146 R HA 0.253 4.593 4.340 0.000 0.000 0.295 146 R C -0.624 175.654 176.300 -0.037 0.000 1.267 146 R CA -0.652 55.441 56.100 -0.012 0.000 1.386 146 R CB -0.944 29.368 30.300 0.020 0.000 1.309 146 R HN 0.513 nan 8.270 nan 0.000 0.692 147 Y N 1.579 121.858 120.300 -0.035 0.000 2.165 147 Y HA -0.126 4.424 4.550 -0.000 0.000 0.286 147 Y C 1.984 177.884 175.900 0.000 0.000 1.155 147 Y CA 2.294 60.385 58.100 -0.015 0.000 1.164 147 Y CB 0.119 38.581 38.460 0.004 0.000 0.978 147 Y HN 0.717 nan 8.280 nan 0.000 0.513 148 G N -1.038 107.831 108.800 0.115 0.000 2.204 148 G HA2 -0.305 3.655 3.960 0.000 0.000 0.244 148 G HA3 -0.305 3.655 3.960 0.000 0.000 0.244 148 G C 0.207 175.196 174.900 0.148 0.000 1.062 148 G CA -0.126 44.986 45.100 0.021 0.000 0.798 148 G HN 0.515 nan 8.290 nan 0.000 0.496 149 F N -1.011 118.997 119.950 0.098 0.000 2.985 149 F HA -0.244 4.283 4.527 0.000 0.000 0.303 149 F C 1.043 176.885 175.800 0.069 0.000 0.976 149 F CA 0.246 58.280 58.000 0.057 0.000 1.013 149 F CB -1.418 37.605 39.000 0.039 0.000 1.060 149 F HN 0.683 nan 8.300 nan 0.000 0.780 150 N N 1.474 120.339 118.700 0.275 0.000 2.452 150 N HA 0.276 5.016 4.740 0.000 0.000 0.266 150 N C -0.360 175.286 175.510 0.226 0.000 1.175 150 N CA 0.360 53.546 53.050 0.226 0.000 0.945 150 N CB 2.002 40.638 38.487 0.248 0.000 1.063 150 N HN 0.267 nan 8.380 nan 0.000 0.472 151 S N 1.134 116.947 115.700 0.188 0.000 2.536 151 S HA 0.233 4.703 4.470 0.000 0.000 0.271 151 S C 0.134 174.807 174.600 0.122 0.000 1.134 151 S CA -0.751 57.556 58.200 0.178 0.000 0.897 151 S CB 0.799 64.036 63.200 0.061 0.000 1.094 151 S HN 0.637 nan 8.310 nan 0.000 0.473 152 H N 2.362 121.374 119.070 -0.097 0.000 2.546 152 H HA 0.267 4.823 4.556 -0.000 0.000 0.277 152 H C 1.314 176.602 175.328 -0.066 0.000 1.004 152 H CA 0.285 56.228 56.048 -0.174 0.000 1.231 152 H CB 0.190 29.803 29.762 -0.248 0.000 1.382 152 H HN 1.024 nan 8.280 nan 0.000 0.580 153 G N -0.123 108.728 108.800 0.085 0.000 2.699 153 G HA2 -0.227 3.733 3.960 0.000 0.000 0.686 153 G HA3 -0.227 3.733 3.960 0.000 0.000 0.686 153 G C 0.411 175.319 174.900 0.014 0.000 1.301 153 G CA -0.335 44.780 45.100 0.025 0.000 0.816 153 G HN 0.173 nan 8.290 nan 0.000 0.595 154 L N 0.628 121.838 121.223 -0.020 0.000 2.012 154 L HA -0.124 4.216 4.340 0.000 0.000 0.210 154 L C 3.211 180.061 176.870 -0.034 0.000 1.073 154 L CA 2.405 57.224 54.840 -0.036 0.000 0.748 154 L CB -0.737 41.291 42.059 -0.052 0.000 0.891 154 L HN 0.777 nan 8.230 nan 0.000 0.431 155 S N -0.358 115.334 115.700 -0.013 0.000 2.353 155 S HA -0.181 4.289 4.470 0.000 0.000 0.222 155 S C 1.977 176.624 174.600 0.078 0.000 1.035 155 S CA 1.664 59.869 58.200 0.008 0.000 1.025 155 S CB -0.223 63.019 63.200 0.069 0.000 0.902 155 S HN 0.183 nan 8.310 nan 0.000 0.440 156 V N 1.415 121.386 119.914 0.094 0.000 2.295 156 V HA -0.125 3.995 4.120 0.000 0.000 0.246 156 V C 2.500 178.656 176.094 0.104 0.000 1.049 156 V CA 1.864 64.236 62.300 0.119 0.000 1.024 156 V CB -0.684 31.180 31.823 0.069 0.000 0.648 156 V HN 0.452 nan 8.190 nan 0.000 0.447 157 V N -0.020 119.934 119.914 0.066 0.000 2.407 157 V HA -0.269 3.851 4.120 0.000 0.000 0.248 157 V C 2.456 178.543 176.094 -0.012 0.000 1.055 157 V CA 2.185 64.508 62.300 0.038 0.000 1.049 157 V CB -0.608 31.224 31.823 0.014 0.000 0.662 157 V HN 0.696 nan 8.190 nan 0.000 0.455 158 E N 0.166 120.320 120.200 -0.076 0.000 2.038 158 E HA -0.290 4.060 4.350 0.000 0.000 0.195 158 E C 2.124 178.613 176.600 -0.185 0.000 1.000 158 E CA 2.162 58.458 56.400 -0.173 0.000 0.803 158 E CB -0.199 29.317 29.700 -0.306 0.000 0.750 158 E HN 0.800 nan 8.360 nan 0.000 0.448 159 H N -0.496 118.574 119.070 -0.001 0.000 2.423 159 H HA -0.011 4.545 4.556 0.000 0.000 0.297 159 H C 2.304 177.635 175.328 0.006 0.000 1.075 159 H CA 1.532 57.580 56.048 -0.000 0.000 1.342 159 H CB -0.022 29.737 29.762 -0.005 0.000 1.395 159 H HN 0.072 nan 8.280 nan 0.000 0.530 160 R N 0.687 121.253 120.500 0.111 0.000 2.081 160 R HA -0.089 4.251 4.340 0.000 0.000 0.235 160 R C 1.804 178.132 176.300 0.047 0.000 1.131 160 R CA 1.099 57.244 56.100 0.075 0.000 0.960 160 R CB -0.119 30.225 30.300 0.072 0.000 0.856 160 R HN 0.304 nan 8.270 nan 0.000 0.436 161 L N -0.208 121.029 121.223 0.024 0.000 2.109 161 L HA -0.062 4.278 4.340 0.000 0.000 0.207 161 L C 2.581 179.463 176.870 0.020 0.000 1.086 161 L CA 1.047 55.895 54.840 0.014 0.000 0.760 161 L CB -0.345 41.710 42.059 -0.007 0.000 0.910 161 L HN 0.192 nan 8.230 nan 0.000 0.437 162 R N 0.177 120.686 120.500 0.015 0.000 2.120 162 R HA -0.124 4.216 4.340 0.000 0.000 0.234 162 R C 2.288 178.612 176.300 0.040 0.000 1.123 162 R CA 1.206 57.320 56.100 0.024 0.000 0.975 162 R CB -0.365 29.948 30.300 0.021 0.000 0.866 162 R HN 0.320 nan 8.270 nan 0.000 0.446 163 A N 1.605 124.454 122.820 0.049 0.000 2.172 163 A HA -0.151 4.169 4.320 0.000 0.000 0.216 163 A C 1.529 179.135 177.584 0.036 0.000 1.154 163 A CA 1.145 53.208 52.037 0.044 0.000 0.701 163 A CB -0.211 18.817 19.000 0.046 0.000 0.789 163 A HN 0.426 nan 8.150 nan 0.000 0.465 164 R N -1.297 119.225 120.500 0.037 0.000 2.592 164 R HA 0.287 4.627 4.340 0.000 0.000 0.439 164 R C 1.124 177.444 176.300 0.034 0.000 0.995 164 R CA 0.314 56.436 56.100 0.036 0.000 1.141 164 R CB -0.650 29.676 30.300 0.044 0.000 1.495 164 R HN 0.406 nan 8.270 nan 0.000 0.579 165 Q N 1.105 120.925 119.800 0.033 0.000 2.096 165 Q HA -0.167 4.173 4.340 0.000 0.000 0.204 165 Q C 1.269 177.286 176.000 0.028 0.000 0.982 165 Q CA 1.780 57.604 55.803 0.035 0.000 0.850 165 Q CB 0.205 28.970 28.738 0.045 0.000 0.901 165 Q HN 0.341 nan 8.270 nan 0.000 0.422 166 Q N 0.351 120.167 119.800 0.025 0.000 2.172 166 Q HA -0.108 4.232 4.340 0.000 0.000 0.200 166 Q C 1.746 177.748 176.000 0.004 0.000 0.964 166 Q CA 1.136 56.947 55.803 0.015 0.000 0.855 166 Q CB -0.188 28.560 28.738 0.016 0.000 0.918 166 Q HN 0.382 nan 8.270 nan 0.000 0.444 167 K N 0.681 121.087 120.400 0.009 0.000 2.097 167 K HA -0.222 4.098 4.320 0.000 0.000 0.206 167 K C 1.998 178.590 176.600 -0.013 0.000 1.049 167 K CA 1.392 57.680 56.287 0.002 0.000 0.933 167 K CB 0.206 32.716 32.500 0.017 0.000 0.717 167 K HN -0.026 nan 8.250 nan 0.000 0.442 168 Q N 0.608 120.408 119.800 0.001 0.000 2.119 168 Q HA -0.038 4.302 4.340 0.000 0.000 0.201 168 Q C 1.720 177.693 176.000 -0.045 0.000 0.972 168 Q CA 1.815 57.611 55.803 -0.012 0.000 0.847 168 Q CB -0.330 28.421 28.738 0.020 0.000 0.903 168 Q HN 0.384 nan 8.270 nan 0.000 0.433 169 A N 0.687 123.489 122.820 -0.030 0.000 1.908 169 A HA -0.240 4.080 4.320 0.000 0.000 0.218 169 A C 1.978 179.532 177.584 -0.050 0.000 1.181 169 A CA 1.859 53.873 52.037 -0.038 0.000 0.627 169 A CB -0.466 18.521 19.000 -0.023 0.000 0.818 169 A HN 0.402 nan 8.150 nan 0.000 0.445 170 K N -0.658 119.713 120.400 -0.049 0.000 2.103 170 K HA 0.057 4.377 4.320 0.000 0.000 0.204 170 K C 1.897 178.444 176.600 -0.089 0.000 1.052 170 K CA 1.043 57.297 56.287 -0.055 0.000 0.945 170 K CB -0.319 32.155 32.500 -0.042 0.000 0.722 170 K HN 0.458 nan 8.250 nan 0.000 0.443 171 L N 0.699 121.846 121.223 -0.126 0.000 2.017 171 L HA -0.196 4.144 4.340 0.000 0.000 0.208 171 L C 2.451 179.191 176.870 -0.216 0.000 1.073 171 L CA 1.397 56.105 54.840 -0.221 0.000 0.745 171 L CB -0.730 41.119 42.059 -0.349 0.000 0.894 171 L HN 0.199 nan 8.230 nan 0.000 0.432 172 T N -1.071 113.376 114.554 -0.179 0.000 2.684 172 T HA -0.258 4.092 4.350 0.000 0.000 0.267 172 T C 1.766 176.395 174.700 -0.119 0.000 1.036 172 T CA 1.740 63.730 62.100 -0.184 0.000 1.148 172 T CB -0.189 68.570 68.868 -0.181 0.000 0.863 172 T HN 0.241 nan 8.240 nan 0.000 0.436 173 E N 1.227 121.384 120.200 -0.073 0.000 2.204 173 E HA -0.136 4.214 4.350 0.000 0.000 0.195 173 E C 1.734 178.304 176.600 -0.050 0.000 0.990 173 E CA 0.895 57.272 56.400 -0.039 0.000 0.821 173 E CB -0.317 29.364 29.700 -0.032 0.000 0.750 173 E HN 0.262 nan 8.360 nan 0.000 0.477 174 D N -1.066 119.287 120.400 -0.077 0.000 2.349 174 D HA 0.045 4.685 4.640 0.000 0.000 0.224 174 D C 0.582 176.839 176.300 -0.071 0.000 1.029 174 D CA 0.912 54.869 54.000 -0.071 0.000 0.879 174 D CB 0.195 40.941 40.800 -0.090 0.000 0.906 174 D HN 0.349 nan 8.370 nan 0.000 0.528 175 G N 0.719 109.463 108.800 -0.094 0.000 2.130 175 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 175 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 175 G C 0.206 175.036 174.900 -0.116 0.000 0.999 175 G CA -0.105 44.939 45.100 -0.093 0.000 0.686 175 G HN 0.332 nan 8.290 nan 0.000 0.515 176 L N 0.666 121.778 121.223 -0.185 0.000 2.488 176 L HA 0.327 4.667 4.340 0.000 0.000 0.250 176 L C -2.349 174.426 176.870 -0.159 0.000 1.280 176 L CA -1.979 52.759 54.840 -0.170 0.000 0.929 176 L CB 1.802 43.580 42.059 -0.467 0.000 1.200 176 L HN -0.098 nan 8.230 nan 0.000 0.495 177 P HA 0.126 nan 4.420 nan 0.000 0.272 177 P C -0.928 176.479 177.300 0.177 0.000 1.230 177 P CA -0.307 62.695 63.100 -0.162 0.000 0.788 177 P CB 0.878 32.282 31.700 -0.494 0.000 0.949 178 L N 1.366 122.619 121.223 0.050 0.000 2.362 178 L HA 0.778 5.118 4.340 0.000 0.000 0.275 178 L C -0.252 176.482 176.870 -0.227 0.000 0.998 178 L CA -0.173 54.687 54.840 0.033 0.000 0.820 178 L CB 1.293 43.367 42.059 0.026 0.000 1.270 178 L HN 0.461 nan 8.230 nan 0.000 0.415 179 G N 3.736 112.285 108.800 -0.418 0.000 2.420 179 G HA2 0.640 4.600 3.960 0.000 0.000 0.331 179 G HA3 0.640 4.600 3.960 0.000 0.000 0.331 179 G C -1.713 172.889 174.900 -0.497 0.000 1.168 179 G CA -0.554 43.874 45.100 -1.120 0.000 0.936 179 G HN 0.501 nan 8.290 nan 0.000 0.479 180 V N 2.490 122.170 119.914 -0.390 0.000 2.483 180 V HA 0.330 4.450 4.120 0.000 0.000 0.297 180 V C -0.489 175.553 176.094 -0.086 0.000 1.027 180 V CA -1.244 60.951 62.300 -0.175 0.000 0.855 180 V CB 1.580 33.332 31.823 -0.118 0.000 0.995 180 V HN 0.744 nan 8.190 nan 0.000 0.424 181 N N 5.346 124.014 118.700 -0.054 0.000 2.419 181 N HA 0.445 5.185 4.740 0.000 0.000 0.264 181 N C -1.014 174.481 175.510 -0.025 0.000 1.031 181 N CA -0.274 52.780 53.050 0.007 0.000 0.951 181 N CB 1.241 39.740 38.487 0.021 0.000 1.101 181 N HN 0.602 nan 8.380 nan 0.000 0.488 182 L N 2.272 123.513 121.223 0.030 0.000 2.309 182 L HA 0.599 4.939 4.340 0.000 0.000 0.282 182 L C 1.174 178.028 176.870 -0.026 0.000 1.036 182 L CA -0.768 54.071 54.840 -0.003 0.000 0.806 182 L CB 1.693 43.817 42.059 0.108 0.000 1.220 182 L HN 0.492 nan 8.230 nan 0.000 0.429 183 G N 2.110 110.703 108.800 -0.344 0.000 3.175 183 G HA2 0.714 4.674 3.960 0.000 0.000 0.255 183 G HA3 0.714 4.674 3.960 0.000 0.000 0.255 183 G C -1.468 173.045 174.900 -0.645 0.000 1.352 183 G CA -0.564 44.167 45.100 -0.615 0.000 1.037 183 G HN 0.616 nan 8.290 nan 0.000 0.556 184 K N -0.870 119.260 120.400 -0.452 0.000 2.477 184 K HA 0.450 4.770 4.320 0.000 0.000 0.255 184 K C -0.985 175.583 176.600 -0.054 0.000 0.952 184 K CA -0.883 55.217 56.287 -0.313 0.000 0.826 184 K CB 2.016 34.339 32.500 -0.296 0.000 1.331 184 K HN 0.389 nan 8.250 nan 0.000 0.437 185 N N 1.386 120.052 118.700 -0.055 0.000 2.508 185 N HA -0.012 4.728 4.740 0.000 0.000 0.264 185 N C 0.602 176.153 175.510 0.069 0.000 1.216 185 N CA -0.245 52.819 53.050 0.022 0.000 0.943 185 N CB 1.154 39.638 38.487 -0.006 0.000 1.113 185 N HN 0.673 nan 8.380 nan 0.000 0.447 186 K N 0.459 120.915 120.400 0.093 0.000 2.032 186 K HA -0.163 4.157 4.320 0.000 0.000 0.209 186 K C 0.996 177.627 176.600 0.052 0.000 1.048 186 K CA 1.563 57.898 56.287 0.080 0.000 0.927 186 K CB -0.110 32.434 32.500 0.073 0.000 0.712 186 K HN 0.756 nan 8.250 nan 0.000 0.441 187 T N -1.270 113.307 114.554 0.039 0.000 3.273 187 T HA 0.133 4.483 4.350 0.000 0.000 0.254 187 T C 0.279 174.992 174.700 0.021 0.000 1.002 187 T CA -0.495 61.621 62.100 0.028 0.000 0.913 187 T CB 0.303 69.184 68.868 0.022 0.000 1.056 187 T HN 0.059 nan 8.240 nan 0.000 0.576 188 S N 0.178 115.891 115.700 0.022 0.000 2.548 188 S HA 0.310 4.780 4.470 0.000 0.000 0.277 188 S C 1.116 175.729 174.600 0.021 0.000 1.315 188 S CA -0.727 57.480 58.200 0.012 0.000 1.050 188 S CB 0.812 64.011 63.200 -0.002 0.000 0.918 188 S HN 0.256 nan 8.310 nan 0.000 0.497 189 V N 3.264 123.188 119.914 0.018 0.000 3.506 189 V HA 0.212 4.332 4.120 0.000 0.000 0.263 189 V C 0.532 176.643 176.094 0.028 0.000 1.203 189 V CA 0.621 62.935 62.300 0.022 0.000 1.133 189 V CB -0.091 31.743 31.823 0.018 0.000 0.802 189 V HN 0.827 nan 8.190 nan 0.000 0.459 190 D N -0.175 120.242 120.400 0.028 0.000 2.378 190 D HA 0.466 5.106 4.640 0.000 0.000 0.265 190 D C 0.943 177.274 176.300 0.051 0.000 1.229 190 D CA 0.416 54.439 54.000 0.038 0.000 0.914 190 D CB 1.657 42.475 40.800 0.031 0.000 1.140 190 D HN 0.068 nan 8.370 nan 0.000 0.516 191 A N 3.081 125.949 122.820 0.080 0.000 1.892 191 A HA -0.150 4.170 4.320 0.000 0.000 0.218 191 A C 2.152 179.869 177.584 0.221 0.000 1.188 191 A CA 2.188 54.306 52.037 0.134 0.000 0.631 191 A CB -0.535 18.583 19.000 0.196 0.000 0.822 191 A HN 0.583 nan 8.150 nan 0.000 0.447 192 A N -0.629 122.310 122.820 0.197 0.000 1.940 192 A HA -0.183 4.137 4.320 0.000 0.000 0.219 192 A C 1.976 179.658 177.584 0.163 0.000 1.176 192 A CA 2.279 54.440 52.037 0.206 0.000 0.631 192 A CB -0.476 18.590 19.000 0.111 0.000 0.814 192 A HN 0.576 nan 8.150 nan 0.000 0.446 193 E N 0.413 120.668 120.200 0.091 0.000 2.106 193 E HA -0.148 4.202 4.350 0.000 0.000 0.192 193 E C 1.336 177.948 176.600 0.020 0.000 0.984 193 E CA 1.499 57.929 56.400 0.051 0.000 0.806 193 E CB -0.326 29.391 29.700 0.028 0.000 0.750 193 E HN 0.540 nan 8.360 nan 0.000 0.458 194 D N -0.827 119.558 120.400 -0.025 0.000 2.104 194 D HA -0.175 4.465 4.640 0.000 0.000 0.194 194 D C 1.584 177.780 176.300 -0.174 0.000 0.994 194 D CA 1.305 55.218 54.000 -0.144 0.000 0.830 194 D CB -0.351 40.289 40.800 -0.268 0.000 0.959 194 D HN 0.343 nan 8.370 nan 0.000 0.452 195 Y N 0.719 121.020 120.300 0.000 0.000 2.242 195 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 195 Y C 2.428 178.327 175.900 -0.001 0.000 1.137 195 Y CA 0.959 59.058 58.100 -0.002 0.000 1.181 195 Y CB -0.378 38.089 38.460 0.011 0.000 0.989 195 Y HN -0.068 nan 8.280 nan 0.000 0.527 196 A N 0.307 123.215 122.820 0.146 0.000 1.933 196 A HA -0.231 4.089 4.320 0.000 0.000 0.218 196 A C 2.021 179.630 177.584 0.042 0.000 1.175 196 A CA 1.918 54.005 52.037 0.084 0.000 0.628 196 A CB -0.588 18.450 19.000 0.064 0.000 0.814 196 A HN 0.522 nan 8.150 nan 0.000 0.444 197 E N -0.789 119.421 120.200 0.016 0.000 2.077 197 E HA -0.117 4.233 4.350 0.000 0.000 0.193 197 E C 2.164 178.755 176.600 -0.015 0.000 0.989 197 E CA 0.784 57.178 56.400 -0.009 0.000 0.800 197 E CB -0.381 29.301 29.700 -0.030 0.000 0.746 197 E HN 0.615 nan 8.360 nan 0.000 0.452 198 G N 0.855 109.644 108.800 -0.019 0.000 2.422 198 G HA2 -0.235 3.725 3.960 0.000 0.000 0.218 198 G HA3 -0.235 3.725 3.960 0.000 0.000 0.218 198 G C 1.729 176.634 174.900 0.007 0.000 1.146 198 G CA 0.723 45.811 45.100 -0.020 0.000 0.769 198 G HN 0.116 nan 8.290 nan 0.000 0.547 199 V N 0.615 120.550 119.914 0.036 0.000 2.295 199 V HA -0.167 3.953 4.120 0.000 0.000 0.246 199 V C 2.924 179.030 176.094 0.020 0.000 1.049 199 V CA 1.986 64.310 62.300 0.040 0.000 1.024 199 V CB -0.450 31.406 31.823 0.055 0.000 0.648 199 V HN 0.320 nan 8.190 nan 0.000 0.447 200 R N -0.556 119.950 120.500 0.010 0.000 2.092 200 R HA -0.080 4.260 4.340 0.000 0.000 0.231 200 R C 2.177 178.463 176.300 -0.023 0.000 1.119 200 R CA 1.319 57.417 56.100 -0.004 0.000 0.970 200 R CB -0.373 29.924 30.300 -0.005 0.000 0.864 200 R HN 0.423 nan 8.270 nan 0.000 0.440 201 V N 0.819 120.715 119.914 -0.030 0.000 2.379 201 V HA -0.100 4.020 4.120 0.000 0.000 0.243 201 V C 2.015 178.076 176.094 -0.056 0.000 1.035 201 V CA 1.383 63.651 62.300 -0.053 0.000 1.035 201 V CB -0.145 31.642 31.823 -0.059 0.000 0.673 201 V HN 0.250 nan 8.190 nan 0.000 0.457 202 L N -0.044 121.156 121.223 -0.039 0.000 2.590 202 L HA 0.262 4.602 4.340 0.000 0.000 0.227 202 L C 2.458 179.321 176.870 -0.012 0.000 1.099 202 L CA 0.785 55.603 54.840 -0.036 0.000 0.872 202 L CB -0.657 41.376 42.059 -0.043 0.000 1.088 202 L HN 0.430 nan 8.230 nan 0.000 0.479 203 G N 1.871 110.673 108.800 0.005 0.000 2.440 203 G HA2 -0.195 3.765 3.960 0.000 0.000 0.218 203 G HA3 -0.195 3.765 3.960 0.000 0.000 0.218 203 G C -0.843 174.091 174.900 0.057 0.000 1.154 203 G CA 0.694 45.813 45.100 0.032 0.000 0.767 203 G HN 0.298 nan 8.290 nan 0.000 0.552 204 P HA 0.065 nan 4.420 nan 0.000 0.230 204 P C 1.292 178.707 177.300 0.191 0.000 1.158 204 P CA 0.691 63.864 63.100 0.121 0.000 0.769 204 P CB 0.028 31.689 31.700 -0.065 0.000 0.807 205 L N -2.948 118.321 121.223 0.077 0.000 2.693 205 L HA 0.330 4.670 4.340 0.000 0.000 0.235 205 L C 0.905 177.786 176.870 0.017 0.000 1.127 205 L CA -0.314 54.558 54.840 0.054 0.000 0.914 205 L CB 0.115 42.179 42.059 0.009 0.000 1.193 205 L HN -0.173 nan 8.230 nan 0.000 0.502 206 A N -0.960 121.866 122.820 0.011 0.000 2.356 206 A HA 0.424 4.744 4.320 0.000 0.000 0.323 206 A C 0.049 177.625 177.584 -0.012 0.000 1.119 206 A CA -0.520 51.494 52.037 -0.039 0.000 0.790 206 A CB 0.912 19.866 19.000 -0.076 0.000 1.273 206 A HN 0.019 nan 8.150 nan 0.000 0.452 207 D N -0.619 119.743 120.400 -0.065 0.000 2.213 207 D HA 0.093 4.733 4.640 0.000 0.000 0.205 207 D C -0.212 176.203 176.300 0.193 0.000 0.961 207 D CA 1.975 55.964 54.000 -0.019 0.000 0.853 207 D CB 0.093 40.706 40.800 -0.312 0.000 0.967 207 D HN 0.637 nan 8.370 nan 0.000 0.496 208 Y N -1.305 119.038 120.300 0.071 0.000 2.544 208 Y HA 0.582 5.132 4.550 -0.000 0.000 0.342 208 Y C -1.558 174.390 175.900 0.081 0.000 1.062 208 Y CA -1.277 56.881 58.100 0.097 0.000 1.023 208 Y CB 0.890 39.424 38.460 0.124 0.000 1.308 208 Y HN -0.346 nan 8.280 nan 0.000 0.457 209 L N 3.609 124.981 121.223 0.248 0.000 2.334 209 L HA 0.808 5.148 4.340 0.000 0.000 0.273 209 L C -0.995 176.021 176.870 0.243 0.000 1.013 209 L CA -1.509 53.419 54.840 0.147 0.000 0.816 209 L CB 2.162 44.283 42.059 0.104 0.000 1.278 209 L HN 0.620 nan 8.230 nan 0.000 0.431 210 V N 2.699 122.724 119.914 0.184 0.000 2.444 210 V HA 0.298 4.418 4.120 0.000 0.000 0.294 210 V C -0.142 176.032 176.094 0.134 0.000 1.022 210 V CA -0.705 61.707 62.300 0.186 0.000 0.850 210 V CB 1.975 33.927 31.823 0.214 0.000 0.992 210 V HN 0.386 nan 8.190 nan 0.000 0.426 211 V N 4.329 124.292 119.914 0.081 0.000 2.339 211 V HA 0.239 4.359 4.120 0.000 0.000 0.261 211 V C 0.411 176.523 176.094 0.029 0.000 1.058 211 V CA -0.375 61.927 62.300 0.004 0.000 0.897 211 V CB 0.859 32.582 31.823 -0.167 0.000 1.052 211 V HN 0.881 nan 8.190 nan 0.000 0.480 212 N N 4.851 123.655 118.700 0.173 0.000 2.439 212 N HA 0.164 4.904 4.740 0.000 0.000 0.243 212 N C 0.240 175.901 175.510 0.253 0.000 1.088 212 N CA -0.302 52.876 53.050 0.212 0.000 0.940 212 N CB 1.343 39.994 38.487 0.273 0.000 1.180 212 N HN 0.482 nan 8.380 nan 0.000 0.505 213 V N 1.069 121.057 119.914 0.124 0.000 3.006 213 V HA 0.324 4.444 4.120 0.000 0.000 0.357 213 V C 0.616 176.771 176.094 0.102 0.000 1.377 213 V CA 0.205 62.575 62.300 0.115 0.000 1.198 213 V CB -0.508 31.314 31.823 -0.001 0.000 1.216 213 V HN 0.556 nan 8.190 nan 0.000 0.520 214 S N -1.630 114.140 115.700 0.118 0.000 2.730 214 S HA 0.287 4.757 4.470 0.000 0.000 0.244 214 S C 0.644 175.281 174.600 0.062 0.000 1.022 214 S CA 0.308 58.555 58.200 0.078 0.000 1.014 214 S CB 0.242 63.482 63.200 0.067 0.000 0.963 214 S HN 0.567 nan 8.310 nan 0.000 0.540 215 S N 3.816 119.554 115.700 0.064 0.000 2.531 215 S HA 0.290 4.760 4.470 0.000 0.000 0.279 215 S C -1.384 173.171 174.600 -0.074 0.000 1.305 215 S CA -1.047 57.124 58.200 -0.048 0.000 1.058 215 S CB 0.839 63.867 63.200 -0.288 0.000 0.899 215 S HN 0.305 nan 8.310 nan 0.000 0.493 216 P HA 0.134 nan 4.420 nan 0.000 0.255 216 P C -0.165 177.089 177.300 -0.076 0.000 1.248 216 P CA 0.221 63.292 63.100 -0.049 0.000 0.807 216 P CB 0.092 31.777 31.700 -0.025 0.000 1.150 217 N N -0.327 118.288 118.700 -0.142 0.000 2.234 217 N HA 0.091 4.831 4.740 0.000 0.000 0.227 217 N C -0.289 175.106 175.510 -0.192 0.000 1.151 217 N CA 0.270 53.231 53.050 -0.148 0.000 0.865 217 N CB 0.760 39.165 38.487 -0.137 0.000 1.066 217 N HN -0.018 nan 8.380 nan 0.000 0.515 218 T N 0.608 115.049 114.554 -0.189 0.000 2.906 218 T HA 0.418 4.768 4.350 0.000 0.000 0.302 218 T C -0.104 174.574 174.700 -0.037 0.000 1.002 218 T CA -0.617 61.405 62.100 -0.131 0.000 0.988 218 T CB 1.841 70.601 68.868 -0.180 0.000 0.972 218 T HN 0.173 nan 8.240 nan 0.000 0.447 219 A N 2.133 124.947 122.820 -0.011 0.000 2.573 219 A HA 0.443 4.763 4.320 0.000 0.000 0.250 219 A C 1.655 179.255 177.584 0.027 0.000 1.049 219 A CA 0.799 52.841 52.037 0.008 0.000 0.767 219 A CB -0.920 18.088 19.000 0.013 0.000 0.965 219 A HN 1.782 nan 8.150 nan 0.000 0.514 220 G N 1.368 110.183 108.800 0.025 0.000 2.168 220 G HA2 -0.279 3.681 3.960 0.000 0.000 0.263 220 G HA3 -0.279 3.681 3.960 0.000 0.000 0.263 220 G C 0.743 175.678 174.900 0.058 0.000 0.977 220 G CA 0.791 45.913 45.100 0.038 0.000 0.659 220 G HN 1.417 nan 8.290 nan 0.000 0.533 221 L N 0.335 121.596 121.223 0.064 0.000 2.027 221 L HA 0.227 4.567 4.340 0.000 0.000 0.206 221 L C 2.741 179.664 176.870 0.088 0.000 1.074 221 L CA 2.618 57.522 54.840 0.107 0.000 0.745 221 L CB -0.508 41.622 42.059 0.118 0.000 0.898 221 L HN 0.342 nan 8.230 nan 0.000 0.433 222 R N -1.175 119.358 120.500 0.054 0.000 2.241 222 R HA -0.113 4.227 4.340 0.000 0.000 0.224 222 R C 2.400 178.721 176.300 0.035 0.000 1.101 222 R CA 1.002 57.127 56.100 0.042 0.000 0.995 222 R CB -0.473 29.843 30.300 0.026 0.000 0.870 222 R HN 0.423 nan 8.270 nan 0.000 0.463 223 S N 0.818 116.541 115.700 0.038 0.000 2.447 223 S HA -0.000 4.470 4.470 0.000 0.000 0.233 223 S C 1.696 176.314 174.600 0.031 0.000 1.006 223 S CA 0.607 58.826 58.200 0.031 0.000 0.957 223 S CB 0.000 63.220 63.200 0.032 0.000 0.773 223 S HN 0.274 nan 8.310 nan 0.000 0.507 224 L N 0.773 122.020 121.223 0.040 0.000 2.549 224 L HA 0.021 4.361 4.340 0.000 0.000 0.229 224 L C 2.356 179.227 176.870 0.003 0.000 1.158 224 L CA 0.669 55.525 54.840 0.027 0.000 0.842 224 L CB -0.387 41.694 42.059 0.038 0.000 0.952 224 L HN 0.384 nan 8.230 nan 0.000 0.452 225 Q N 0.104 119.910 119.800 0.010 0.000 2.451 225 Q HA 0.062 4.402 4.340 0.000 0.000 0.206 225 Q C 1.209 177.211 176.000 0.003 0.000 0.947 225 Q CA 0.026 55.830 55.803 0.003 0.000 0.937 225 Q CB 0.173 28.917 28.738 0.011 0.000 1.025 225 Q HN 0.493 nan 8.270 nan 0.000 0.511 226 G N 0.559 109.362 108.800 0.006 0.000 2.491 226 G HA2 -0.061 3.899 3.960 0.000 0.000 0.242 226 G HA3 -0.061 3.899 3.960 0.000 0.000 0.242 226 G C 0.302 175.203 174.900 0.002 0.000 1.266 226 G CA -0.360 44.743 45.100 0.006 0.000 0.844 226 G HN 0.128 nan 8.290 nan 0.000 0.571 227 K N 1.402 121.803 120.400 0.001 0.000 2.001 227 K HA -0.159 4.161 4.320 0.000 0.000 0.214 227 K C 2.785 179.385 176.600 -0.001 0.000 1.050 227 K CA 1.809 58.096 56.287 -0.001 0.000 0.934 227 K CB -0.278 32.222 32.500 -0.000 0.000 0.718 227 K HN 0.519 nan 8.250 nan 0.000 0.443 228 A N 1.279 124.100 122.820 0.002 0.000 1.851 228 A HA -0.238 4.082 4.320 0.000 0.000 0.216 228 A C 1.944 179.530 177.584 0.004 0.000 1.195 228 A CA 2.031 54.071 52.037 0.004 0.000 0.622 228 A CB -0.684 18.320 19.000 0.006 0.000 0.831 228 A HN 0.515 nan 8.150 nan 0.000 0.444 229 E N -0.892 119.312 120.200 0.007 0.000 2.072 229 E HA -0.166 4.184 4.350 0.000 0.000 0.191 229 E C 1.967 178.566 176.600 -0.001 0.000 0.985 229 E CA 1.097 57.503 56.400 0.009 0.000 0.801 229 E CB -0.259 29.450 29.700 0.016 0.000 0.750 229 E HN 0.469 nan 8.360 nan 0.000 0.452 230 L N 1.542 122.759 121.223 -0.009 0.000 2.017 230 L HA -0.186 4.154 4.340 0.000 0.000 0.208 230 L C 2.410 179.266 176.870 -0.023 0.000 1.073 230 L CA 1.757 56.583 54.840 -0.024 0.000 0.745 230 L CB -0.347 41.699 42.059 -0.021 0.000 0.894 230 L HN -0.056 nan 8.230 nan 0.000 0.432 231 R N -0.688 119.804 120.500 -0.013 0.000 2.073 231 R HA -0.211 4.129 4.340 0.000 0.000 0.234 231 R C 2.571 178.867 176.300 -0.007 0.000 1.134 231 R CA 1.799 57.892 56.100 -0.010 0.000 0.952 231 R CB -0.297 30.000 30.300 -0.005 0.000 0.850 231 R HN 0.358 nan 8.270 nan 0.000 0.433 232 R N 0.345 120.844 120.500 -0.002 0.000 2.073 232 R HA -0.151 4.189 4.340 0.000 0.000 0.234 232 R C 2.416 178.719 176.300 0.004 0.000 1.134 232 R CA 1.544 57.646 56.100 0.005 0.000 0.952 232 R CB -0.378 29.928 30.300 0.011 0.000 0.850 232 R HN 0.273 nan 8.270 nan 0.000 0.433 233 L N 1.061 122.282 121.223 -0.004 0.000 1.989 233 L HA -0.147 4.193 4.340 0.000 0.000 0.211 233 L C 1.964 178.817 176.870 -0.029 0.000 1.071 233 L CA 1.772 56.603 54.840 -0.014 0.000 0.749 233 L CB -0.441 41.587 42.059 -0.053 0.000 0.890 233 L HN 0.234 nan 8.230 nan 0.000 0.431 234 L N -1.130 120.068 121.223 -0.041 0.000 2.201 234 L HA -0.156 4.184 4.340 0.000 0.000 0.212 234 L C 2.329 179.192 176.870 -0.011 0.000 1.105 234 L CA 1.385 56.204 54.840 -0.035 0.000 0.775 234 L CB -1.021 41.017 42.059 -0.036 0.000 0.913 234 L HN 0.318 nan 8.230 nan 0.000 0.440 235 T N -0.466 114.085 114.554 -0.005 0.000 2.777 235 T HA -0.222 4.128 4.350 0.000 0.000 0.266 235 T C 1.953 176.659 174.700 0.010 0.000 1.040 235 T CA 1.412 63.514 62.100 0.003 0.000 1.141 235 T CB -0.031 68.839 68.868 0.004 0.000 0.868 235 T HN 0.247 nan 8.240 nan 0.000 0.444 236 K N 0.675 121.083 120.400 0.015 0.000 2.025 236 K HA -0.061 4.259 4.320 0.000 0.000 0.207 236 K C 2.218 178.836 176.600 0.031 0.000 1.049 236 K CA 0.963 57.265 56.287 0.025 0.000 0.933 236 K CB -0.297 32.224 32.500 0.035 0.000 0.714 236 K HN 0.100 nan 8.250 nan 0.000 0.438 237 V N 1.790 121.721 119.914 0.028 0.000 2.287 237 V HA -0.265 3.855 4.120 0.000 0.000 0.248 237 V C 2.299 178.412 176.094 0.031 0.000 1.053 237 V CA 1.695 64.017 62.300 0.036 0.000 1.027 237 V CB -0.347 31.487 31.823 0.018 0.000 0.646 237 V HN 0.347 nan 8.190 nan 0.000 0.447 238 L N -0.464 120.772 121.223 0.021 0.000 2.141 238 L HA -0.223 4.117 4.340 0.000 0.000 0.209 238 L C 2.607 179.490 176.870 0.023 0.000 1.094 238 L CA 1.742 56.595 54.840 0.022 0.000 0.763 238 L CB -0.552 41.515 42.059 0.014 0.000 0.908 238 L HN 0.441 nan 8.230 nan 0.000 0.437 239 Q N 0.045 119.858 119.800 0.021 0.000 2.050 239 Q HA -0.219 4.121 4.340 0.000 0.000 0.202 239 Q C 2.067 178.082 176.000 0.023 0.000 0.980 239 Q CA 1.363 57.178 55.803 0.020 0.000 0.840 239 Q CB 0.180 28.929 28.738 0.018 0.000 0.898 239 Q HN 0.352 nan 8.270 nan 0.000 0.424 240 E N 0.431 120.648 120.200 0.028 0.000 2.077 240 E HA -0.186 4.164 4.350 0.000 0.000 0.193 240 E C 1.947 178.566 176.600 0.032 0.000 0.989 240 E CA 0.729 57.146 56.400 0.029 0.000 0.800 240 E CB -0.308 29.413 29.700 0.034 0.000 0.746 240 E HN 0.255 nan 8.360 nan 0.000 0.452 241 R N 1.363 121.885 120.500 0.037 0.000 2.073 241 R HA -0.129 4.211 4.340 0.000 0.000 0.234 241 R C 1.214 177.538 176.300 0.040 0.000 1.134 241 R CA 1.407 57.533 56.100 0.043 0.000 0.952 241 R CB -0.392 29.936 30.300 0.048 0.000 0.850 241 R HN 0.066 nan 8.270 nan 0.000 0.433 242 D N -0.580 119.839 120.400 0.032 0.000 2.263 242 D HA -0.077 4.563 4.640 0.000 0.000 0.208 242 D C 1.477 177.794 176.300 0.027 0.000 0.971 242 D CA 1.331 55.348 54.000 0.028 0.000 0.867 242 D CB -0.379 40.434 40.800 0.021 0.000 0.929 242 D HN 0.493 nan 8.370 nan 0.000 0.492 243 G N -0.115 108.701 108.800 0.026 0.000 2.848 243 G HA2 0.079 4.039 3.960 0.000 0.000 0.208 243 G HA3 0.079 4.039 3.960 0.000 0.000 0.208 243 G C 0.694 175.610 174.900 0.027 0.000 1.152 243 G CA -0.131 44.983 45.100 0.023 0.000 0.789 243 G HN 0.179 nan 8.290 nan 0.000 0.531 244 L N 0.359 121.604 121.223 0.037 0.000 2.399 244 L HA 0.407 4.747 4.340 0.000 0.000 0.266 244 L C 0.657 177.566 176.870 0.065 0.000 1.114 244 L CA -1.015 53.855 54.840 0.050 0.000 0.804 244 L CB 1.079 43.178 42.059 0.067 0.000 1.146 244 L HN 0.019 nan 8.230 nan 0.000 0.451 245 R N 1.109 121.661 120.500 0.086 0.000 2.679 245 R HA 0.018 4.358 4.340 0.000 0.000 0.268 245 R C 1.190 177.552 176.300 0.104 0.000 1.044 245 R CA -0.485 55.675 56.100 0.100 0.000 1.105 245 R CB 0.376 30.758 30.300 0.136 0.000 0.989 245 R HN 0.475 nan 8.270 nan 0.000 0.447 246 R N 1.588 122.123 120.500 0.059 0.000 2.196 246 R HA -0.213 4.127 4.340 0.000 0.000 0.244 246 R C 1.840 178.139 176.300 -0.002 0.000 1.121 246 R CA 2.570 58.685 56.100 0.026 0.000 0.930 246 R CB -1.026 29.280 30.300 0.011 0.000 0.890 246 R HN 0.661 nan 8.270 nan 0.000 0.435 247 V N -1.479 118.403 119.914 -0.052 0.000 3.241 247 V HA -0.069 4.051 4.120 0.000 0.000 0.269 247 V C 1.188 177.082 176.094 -0.334 0.000 1.151 247 V CA 1.575 63.763 62.300 -0.187 0.000 1.158 247 V CB -0.635 31.030 31.823 -0.262 0.000 0.764 247 V HN 0.286 nan 8.190 nan 0.000 0.508 248 H N 0.528 119.613 119.070 0.026 0.000 2.512 248 H HA 0.430 4.986 4.556 -0.000 0.000 0.276 248 H C 0.359 175.706 175.328 0.032 0.000 1.126 248 H CA -0.269 55.795 56.048 0.026 0.000 1.060 248 H CB 0.487 30.257 29.762 0.015 0.000 1.646 248 H HN 0.436 nan 8.280 nan 0.000 0.571 249 R N 3.184 123.744 120.500 0.100 0.000 2.233 249 R HA 0.210 4.550 4.340 0.000 0.000 0.334 249 R C -2.555 173.800 176.300 0.092 0.000 1.037 249 R CA -1.440 54.711 56.100 0.086 0.000 0.920 249 R CB 0.906 31.242 30.300 0.060 0.000 1.137 249 R HN 0.091 nan 8.270 nan 0.000 0.492 250 P HA 0.214 nan 4.420 nan 0.000 0.278 250 P C -0.973 176.409 177.300 0.137 0.000 1.258 250 P CA -0.499 62.682 63.100 0.135 0.000 0.811 250 P CB 1.382 33.153 31.700 0.118 0.000 1.063 251 A N 1.344 124.274 122.820 0.184 0.000 2.351 251 A HA 0.438 4.758 4.320 0.000 0.000 0.257 251 A C -0.174 177.508 177.584 0.162 0.000 1.087 251 A CA -0.362 51.767 52.037 0.153 0.000 0.798 251 A CB 0.078 19.180 19.000 0.169 0.000 1.033 251 A HN 0.360 nan 8.150 nan 0.000 0.488 252 V N 2.707 122.686 119.914 0.108 0.000 2.448 252 V HA 0.472 4.592 4.120 0.000 0.000 0.295 252 V C -0.646 175.493 176.094 0.074 0.000 1.025 252 V CA -0.241 62.120 62.300 0.102 0.000 0.859 252 V CB 1.026 32.889 31.823 0.065 0.000 0.988 252 V HN 0.728 nan 8.190 nan 0.000 0.431 253 L N 5.000 126.280 121.223 0.095 0.000 2.323 253 L HA 0.729 5.069 4.340 0.000 0.000 0.265 253 L C -0.358 176.542 176.870 0.049 0.000 1.012 253 L CA -0.609 54.261 54.840 0.050 0.000 0.820 253 L CB 2.186 44.261 42.059 0.025 0.000 1.334 253 L HN 0.349 nan 8.230 nan 0.000 0.427 254 V N 1.031 120.959 119.914 0.023 0.000 2.459 254 V HA 0.449 4.569 4.120 0.000 0.000 0.295 254 V C -0.229 175.884 176.094 0.032 0.000 1.029 254 V CA -0.894 61.414 62.300 0.014 0.000 0.874 254 V CB 1.641 33.457 31.823 -0.011 0.000 0.985 254 V HN 0.636 nan 8.190 nan 0.000 0.438 255 K N 5.686 126.116 120.400 0.051 0.000 2.234 255 K HA 0.648 4.968 4.320 0.000 0.000 0.277 255 K C -0.495 176.138 176.600 0.056 0.000 1.038 255 K CA -0.473 55.854 56.287 0.066 0.000 0.888 255 K CB 0.922 33.482 32.500 0.100 0.000 1.091 255 K HN 0.783 nan 8.250 nan 0.000 0.467 256 I N 0.578 121.176 120.570 0.046 0.000 2.863 256 I HA 0.677 4.847 4.170 0.000 0.000 0.311 256 I C -0.204 175.938 176.117 0.043 0.000 1.026 256 I CA -1.147 60.177 61.300 0.039 0.000 1.077 256 I CB 1.914 39.930 38.000 0.028 0.000 1.262 256 I HN 0.580 nan 8.210 nan 0.000 0.461 257 A N 3.574 126.416 122.820 0.036 0.000 2.287 257 A HA 0.615 4.935 4.320 0.000 0.000 0.273 257 A C -1.909 175.693 177.584 0.029 0.000 1.091 257 A CA -1.394 50.663 52.037 0.033 0.000 0.817 257 A CB -0.233 18.784 19.000 0.027 0.000 1.069 257 A HN 0.765 nan 8.150 nan 0.000 0.492 258 P HA 0.119 nan 4.420 nan 0.000 0.267 258 P C -0.458 176.854 177.300 0.019 0.000 1.289 258 P CA 0.432 63.547 63.100 0.024 0.000 0.866 258 P CB 0.441 32.156 31.700 0.025 0.000 1.309 259 D N 0.155 120.565 120.400 0.017 0.000 2.463 259 D HA 0.180 4.820 4.640 0.000 0.000 0.224 259 D C 0.678 176.986 176.300 0.013 0.000 1.174 259 D CA -0.061 53.947 54.000 0.013 0.000 0.829 259 D CB 0.554 41.361 40.800 0.010 0.000 0.993 259 D HN 0.233 nan 8.370 nan 0.000 0.497 260 L N 1.296 122.529 121.223 0.015 0.000 2.417 260 L HA 0.170 4.510 4.340 0.000 0.000 0.268 260 L C 1.453 178.331 176.870 0.013 0.000 1.158 260 L CA -0.325 54.524 54.840 0.014 0.000 0.819 260 L CB 0.633 42.702 42.059 0.016 0.000 1.112 260 L HN -0.035 nan 8.230 nan 0.000 0.458 261 T N -1.513 113.048 114.554 0.011 0.000 2.788 261 T HA 0.093 4.443 4.350 0.000 0.000 0.287 261 T C 1.187 175.893 174.700 0.011 0.000 1.007 261 T CA -0.582 61.524 62.100 0.010 0.000 1.005 261 T CB 1.118 69.991 68.868 0.008 0.000 1.012 261 T HN 0.563 nan 8.240 nan 0.000 0.530 262 S N 0.259 115.966 115.700 0.011 0.000 2.383 262 S HA -0.164 4.306 4.470 0.000 0.000 0.229 262 S C 2.068 176.674 174.600 0.010 0.000 1.030 262 S CA 1.446 59.654 58.200 0.012 0.000 1.002 262 S CB -0.570 62.637 63.200 0.012 0.000 0.829 262 S HN 0.862 nan 8.310 nan 0.000 0.467 263 Q N 1.702 121.507 119.800 0.008 0.000 2.084 263 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 263 Q C 1.347 177.351 176.000 0.007 0.000 0.978 263 Q CA 1.691 57.498 55.803 0.007 0.000 0.844 263 Q CB -0.363 28.378 28.738 0.006 0.000 0.898 263 Q HN 0.355 nan 8.270 nan 0.000 0.426 264 D N 0.144 120.548 120.400 0.008 0.000 2.104 264 D HA -0.157 4.483 4.640 0.000 0.000 0.194 264 D C 1.659 177.964 176.300 0.007 0.000 0.994 264 D CA 1.402 55.406 54.000 0.008 0.000 0.830 264 D CB -0.058 40.748 40.800 0.010 0.000 0.959 264 D HN 0.364 nan 8.370 nan 0.000 0.452 265 K N 0.683 121.089 120.400 0.010 0.000 2.057 265 K HA -0.106 4.214 4.320 0.000 0.000 0.207 265 K C 2.147 178.751 176.600 0.007 0.000 1.049 265 K CA 0.875 57.168 56.287 0.011 0.000 0.931 265 K CB -0.023 32.487 32.500 0.017 0.000 0.714 265 K HN 0.218 nan 8.250 nan 0.000 0.440 266 E N 0.911 121.114 120.200 0.006 0.000 2.085 266 E HA -0.197 4.153 4.350 0.000 0.000 0.194 266 E C 1.627 178.226 176.600 -0.002 0.000 0.994 266 E CA 1.318 57.719 56.400 0.002 0.000 0.801 266 E CB -0.046 29.656 29.700 0.003 0.000 0.743 266 E HN 0.275 nan 8.360 nan 0.000 0.453 267 D N 0.647 121.047 120.400 -0.000 0.000 2.117 267 D HA -0.123 4.517 4.640 0.000 0.000 0.197 267 D C 2.016 178.313 176.300 -0.005 0.000 0.987 267 D CA 0.820 54.819 54.000 -0.002 0.000 0.829 267 D CB -0.203 40.596 40.800 -0.000 0.000 0.961 267 D HN 0.184 nan 8.370 nan 0.000 0.460 268 I N 1.186 121.754 120.570 -0.004 0.000 2.179 268 I HA -0.263 3.907 4.170 0.000 0.000 0.242 268 I C 2.480 178.591 176.117 -0.010 0.000 1.088 268 I CA 1.059 62.355 61.300 -0.006 0.000 1.357 268 I CB -0.222 37.777 38.000 -0.002 0.000 1.051 268 I HN -0.074 nan 8.210 nan 0.000 0.409 269 A N -0.223 122.591 122.820 -0.010 0.000 1.908 269 A HA -0.261 4.059 4.320 0.000 0.000 0.218 269 A C 2.493 180.065 177.584 -0.021 0.000 1.181 269 A CA 2.307 54.333 52.037 -0.018 0.000 0.627 269 A CB -0.865 18.124 19.000 -0.018 0.000 0.818 269 A HN 0.415 nan 8.150 nan 0.000 0.445 270 S N -0.655 115.036 115.700 -0.016 0.000 2.348 270 S HA -0.138 4.332 4.470 0.000 0.000 0.221 270 S C 1.923 176.514 174.600 -0.015 0.000 1.033 270 S CA 1.764 59.955 58.200 -0.015 0.000 1.010 270 S CB -0.539 62.655 63.200 -0.011 0.000 0.891 270 S HN 0.312 nan 8.310 nan 0.000 0.442 271 V N 1.524 121.430 119.914 -0.014 0.000 2.343 271 V HA -0.113 4.007 4.120 0.000 0.000 0.247 271 V C 2.509 178.593 176.094 -0.016 0.000 1.051 271 V CA 1.699 63.990 62.300 -0.014 0.000 1.036 271 V CB -0.763 31.051 31.823 -0.014 0.000 0.654 271 V HN 0.419 nan 8.190 nan 0.000 0.451 272 V N 0.230 120.132 119.914 -0.019 0.000 2.287 272 V HA -0.341 3.779 4.120 0.000 0.000 0.248 272 V C 2.469 178.549 176.094 -0.024 0.000 1.053 272 V CA 2.610 64.897 62.300 -0.021 0.000 1.027 272 V CB -0.662 31.147 31.823 -0.025 0.000 0.646 272 V HN 0.616 nan 8.190 nan 0.000 0.447 273 K N -0.012 120.372 120.400 -0.027 0.000 2.057 273 K HA -0.237 4.083 4.320 0.000 0.000 0.206 273 K C 2.245 178.831 176.600 -0.022 0.000 1.050 273 K CA 1.914 58.184 56.287 -0.029 0.000 0.935 273 K CB -0.201 32.280 32.500 -0.032 0.000 0.715 273 K HN 0.566 nan 8.250 nan 0.000 0.439 274 E N 0.540 120.730 120.200 -0.018 0.000 2.077 274 E HA -0.179 4.171 4.350 0.000 0.000 0.193 274 E C 1.840 178.433 176.600 -0.012 0.000 0.989 274 E CA 1.237 57.629 56.400 -0.014 0.000 0.800 274 E CB 0.042 29.735 29.700 -0.011 0.000 0.746 274 E HN 0.388 nan 8.360 nan 0.000 0.452 275 L N -1.041 120.175 121.223 -0.012 0.000 2.529 275 L HA 0.231 4.571 4.340 0.000 0.000 0.223 275 L C 1.327 178.192 176.870 -0.009 0.000 1.113 275 L CA 0.380 55.215 54.840 -0.009 0.000 0.861 275 L CB 0.290 42.344 42.059 -0.009 0.000 1.012 275 L HN 0.366 nan 8.230 nan 0.000 0.461 276 G N 1.325 110.118 108.800 -0.013 0.000 2.182 276 G HA2 -0.224 3.736 3.960 0.000 0.000 0.248 276 G HA3 -0.224 3.736 3.960 0.000 0.000 0.248 276 G C 0.216 175.110 174.900 -0.010 0.000 1.042 276 G CA -0.490 44.602 45.100 -0.013 0.000 0.775 276 G HN 0.112 nan 8.290 nan 0.000 0.501 277 I N 0.966 121.529 120.570 -0.012 0.000 2.775 277 I HA 0.010 4.180 4.170 0.000 0.000 0.290 277 I C 1.383 177.494 176.117 -0.010 0.000 1.203 277 I CA 0.275 61.570 61.300 -0.008 0.000 1.433 277 I CB 0.470 38.463 38.000 -0.012 0.000 1.354 277 I HN 0.194 nan 8.210 nan 0.000 0.579 278 D N 4.387 124.787 120.400 -0.001 0.000 2.224 278 D HA 0.048 4.688 4.640 0.000 0.000 0.205 278 D C 0.965 177.250 176.300 -0.025 0.000 0.965 278 D CA 0.819 54.815 54.000 -0.005 0.000 0.852 278 D CB 0.576 41.386 40.800 0.016 0.000 0.947 278 D HN 0.762 nan 8.370 nan 0.000 0.494 279 G N -0.688 108.096 108.800 -0.027 0.000 2.441 279 G HA2 0.513 4.473 3.960 0.000 0.000 0.294 279 G HA3 0.513 4.473 3.960 0.000 0.000 0.294 279 G C -1.960 172.919 174.900 -0.034 0.000 1.393 279 G CA -0.802 44.270 45.100 -0.047 0.000 0.796 279 G HN 0.031 nan 8.290 nan 0.000 0.494 280 L N -0.064 121.137 121.223 -0.037 0.000 2.388 280 L HA 0.642 4.982 4.340 0.000 0.000 0.264 280 L C -0.541 176.321 176.870 -0.012 0.000 0.998 280 L CA -0.896 53.936 54.840 -0.014 0.000 0.817 280 L CB 2.538 44.596 42.059 -0.002 0.000 1.338 280 L HN 0.359 nan 8.230 nan 0.000 0.414 281 I N 2.840 123.419 120.570 0.016 0.000 2.362 281 I HA 0.447 4.617 4.170 0.000 0.000 0.289 281 I C -0.959 175.184 176.117 0.043 0.000 0.994 281 I CA -0.725 60.596 61.300 0.035 0.000 1.158 281 I CB 1.928 39.971 38.000 0.072 0.000 1.315 281 I HN 0.185 nan 8.210 nan 0.000 0.451 282 V N 5.092 125.031 119.914 0.041 0.000 2.447 282 V HA 0.500 4.620 4.120 0.000 0.000 0.292 282 V C 0.069 176.190 176.094 0.046 0.000 1.021 282 V CA -0.413 61.912 62.300 0.042 0.000 0.850 282 V CB 1.671 33.517 31.823 0.038 0.000 1.005 282 V HN 0.906 nan 8.190 nan 0.000 0.426 283 T N 0.573 115.157 114.554 0.050 0.000 2.716 283 T HA 0.542 4.892 4.350 0.000 0.000 0.286 283 T C -0.280 174.456 174.700 0.059 0.000 1.052 283 T CA -0.725 61.405 62.100 0.051 0.000 1.024 283 T CB 2.247 71.140 68.868 0.042 0.000 1.349 283 T HN 0.399 nan 8.240 nan 0.000 0.525 284 N N 0.235 118.970 118.700 0.059 0.000 2.443 284 N HA 0.364 5.104 4.740 0.000 0.000 0.294 284 N C 0.183 175.722 175.510 0.049 0.000 1.289 284 N CA 0.106 53.195 53.050 0.065 0.000 0.966 284 N CB 1.241 39.769 38.487 0.068 0.000 1.122 284 N HN 0.973 nan 8.380 nan 0.000 0.569 285 T N -2.276 112.304 114.554 0.042 0.000 2.813 285 T HA 0.170 4.520 4.350 0.000 0.000 0.297 285 T C 0.460 175.173 174.700 0.021 0.000 1.036 285 T CA -0.415 61.701 62.100 0.027 0.000 1.044 285 T CB 0.645 69.524 68.868 0.019 0.000 0.993 285 T HN 0.374 nan 8.240 nan 0.000 0.535 286 T N 0.140 114.703 114.554 0.015 0.000 2.859 286 T HA 0.404 4.754 4.350 0.000 0.000 0.281 286 T C 1.111 175.814 174.700 0.004 0.000 1.005 286 T CA -0.457 61.650 62.100 0.011 0.000 1.025 286 T CB 0.783 69.658 68.868 0.010 0.000 0.977 286 T HN 0.790 nan 8.240 nan 0.000 0.458 287 V N 2.379 122.294 119.914 0.001 0.000 3.649 287 V HA 0.292 4.412 4.120 0.000 0.000 0.275 287 V C 1.038 177.128 176.094 -0.006 0.000 1.281 287 V CA 0.247 62.544 62.300 -0.005 0.000 1.143 287 V CB -1.177 30.642 31.823 -0.006 0.000 0.892 287 V HN 0.801 nan 8.190 nan 0.000 0.441 288 S N 1.272 116.971 115.700 -0.003 0.000 2.632 288 S HA 0.589 5.059 4.470 0.000 0.000 0.267 288 S C 0.092 174.688 174.600 -0.007 0.000 1.276 288 S CA -0.725 57.472 58.200 -0.005 0.000 0.998 288 S CB 1.300 64.500 63.200 -0.001 0.000 0.953 288 S HN 0.448 nan 8.310 nan 0.000 0.547 289 R N 1.778 122.272 120.500 -0.010 0.000 2.513 289 R HA 0.398 4.738 4.340 0.000 0.000 0.283 289 R C -2.934 173.360 176.300 -0.010 0.000 1.535 289 R CA -1.761 54.332 56.100 -0.012 0.000 1.315 289 R CB 0.304 30.593 30.300 -0.019 0.000 1.163 289 R HN 0.580 nan 8.270 nan 0.000 0.573 290 P HA -0.033 nan 4.420 nan 0.000 0.263 290 P C -0.221 177.074 177.300 -0.008 0.000 1.175 290 P CA 0.174 63.270 63.100 -0.006 0.000 0.761 290 P CB 0.595 32.293 31.700 -0.004 0.000 0.794 291 A N 2.706 125.521 122.820 -0.008 0.000 2.498 291 A HA 0.437 4.757 4.320 0.000 0.000 0.239 291 A C 1.524 179.102 177.584 -0.009 0.000 1.068 291 A CA 0.754 52.785 52.037 -0.009 0.000 0.766 291 A CB -0.835 18.160 19.000 -0.008 0.000 1.003 291 A HN 0.905 nan 8.150 nan 0.000 0.497 292 G N 0.664 109.458 108.800 -0.011 0.000 2.238 292 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 292 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 292 G C 0.202 175.095 174.900 -0.012 0.000 0.996 292 G CA -0.034 45.059 45.100 -0.011 0.000 0.632 292 G HN 0.826 nan 8.290 nan 0.000 0.503 293 L N 1.091 122.307 121.223 -0.013 0.000 2.540 293 L HA 0.181 4.521 4.340 0.000 0.000 0.276 293 L C 1.636 178.498 176.870 -0.014 0.000 1.212 293 L CA 0.162 54.994 54.840 -0.013 0.000 0.893 293 L CB 0.726 42.776 42.059 -0.014 0.000 1.138 293 L HN 0.157 nan 8.230 nan 0.000 0.491 294 Q N 2.325 122.117 119.800 -0.013 0.000 2.378 294 Q HA 0.148 4.488 4.340 0.000 0.000 0.229 294 Q C 0.935 176.928 176.000 -0.011 0.000 0.882 294 Q CA 0.240 56.035 55.803 -0.012 0.000 0.936 294 Q CB 0.444 29.175 28.738 -0.011 0.000 1.092 294 Q HN 0.815 nan 8.270 nan 0.000 0.535 295 G N 0.795 109.591 108.800 -0.007 0.000 2.321 295 G HA2 0.158 4.118 3.960 0.000 0.000 0.237 295 G HA3 0.158 4.118 3.960 0.000 0.000 0.237 295 G C 0.973 175.864 174.900 -0.015 0.000 1.282 295 G CA 0.509 45.608 45.100 -0.002 0.000 0.886 295 G HN 0.250 nan 8.290 nan 0.000 0.528 296 A N 2.231 125.042 122.820 -0.013 0.000 2.019 296 A HA 0.006 4.326 4.320 0.000 0.000 0.219 296 A C 2.015 179.567 177.584 -0.053 0.000 1.164 296 A CA 0.844 52.865 52.037 -0.027 0.000 0.644 296 A CB -0.130 18.859 19.000 -0.018 0.000 0.805 296 A HN 0.619 nan 8.150 nan 0.000 0.449 297 L N 0.004 121.193 121.223 -0.057 0.000 2.685 297 L HA 0.080 4.420 4.340 0.000 0.000 0.233 297 L C 2.177 178.972 176.870 -0.126 0.000 1.173 297 L CA 0.143 54.908 54.840 -0.125 0.000 0.961 297 L CB -0.298 41.691 42.059 -0.118 0.000 1.217 297 L HN 0.527 nan 8.230 nan 0.000 0.478 298 R N -0.853 119.601 120.500 -0.077 0.000 2.159 298 R HA -0.087 4.253 4.340 0.000 0.000 0.237 298 R C 1.310 177.562 176.300 -0.080 0.000 1.131 298 R CA 1.427 57.491 56.100 -0.061 0.000 0.982 298 R CB -0.476 29.800 30.300 -0.040 0.000 0.868 298 R HN 0.114 nan 8.270 nan 0.000 0.453 299 S N 0.611 116.249 115.700 -0.103 0.000 2.597 299 S HA 0.109 4.579 4.470 0.000 0.000 0.224 299 S C -0.338 174.175 174.600 -0.146 0.000 0.955 299 S CA -0.300 57.838 58.200 -0.103 0.000 0.933 299 S CB 0.124 63.273 63.200 -0.085 0.000 0.788 299 S HN 0.274 nan 8.310 nan 0.000 0.488 300 E N 2.299 122.367 120.200 -0.219 0.000 2.383 300 E HA 0.111 4.461 4.350 0.000 0.000 0.264 300 E C 0.097 176.596 176.600 -0.169 0.000 1.050 300 E CA 0.266 56.477 56.400 -0.315 0.000 0.896 300 E CB 0.593 29.901 29.700 -0.653 0.000 0.982 300 E HN 0.054 nan 8.360 nan 0.000 0.424 301 T N 1.251 115.731 114.554 -0.125 0.000 2.919 301 T HA 0.507 4.857 4.350 0.000 0.000 0.302 301 T C 0.319 175.010 174.700 -0.015 0.000 1.031 301 T CA 0.504 62.571 62.100 -0.055 0.000 1.127 301 T CB 0.793 69.638 68.868 -0.038 0.000 0.952 301 T HN 0.657 nan 8.240 nan 0.000 0.540 302 G N 1.085 109.880 108.800 -0.009 0.000 2.369 302 G HA2 0.407 4.367 3.960 0.000 0.000 0.295 302 G HA3 0.407 4.367 3.960 0.000 0.000 0.295 302 G C -0.475 174.427 174.900 0.003 0.000 1.298 302 G CA -0.529 44.577 45.100 0.009 0.000 0.940 302 G HN 0.871 nan 8.290 nan 0.000 0.536 303 G N -0.850 107.955 108.800 0.008 0.000 2.338 303 G HA2 0.674 4.634 3.960 0.000 0.000 0.298 303 G HA3 0.674 4.634 3.960 0.000 0.000 0.298 303 G C -0.443 174.462 174.900 0.008 0.000 1.140 303 G CA -0.240 44.864 45.100 0.006 0.000 0.860 303 G HN 1.255 nan 8.290 nan 0.000 0.470 304 L N 3.114 124.341 121.223 0.006 0.000 2.292 304 L HA 0.688 5.028 4.340 0.000 0.000 0.284 304 L C 0.549 177.423 176.870 0.006 0.000 1.065 304 L CA -0.135 54.709 54.840 0.007 0.000 0.806 304 L CB 1.369 43.431 42.059 0.006 0.000 1.175 304 L HN 0.614 nan 8.230 nan 0.000 0.431 305 S N 2.883 118.584 115.700 0.002 0.000 2.745 305 S HA 1.040 5.510 4.470 0.000 0.000 0.306 305 S C 0.001 174.615 174.600 0.023 0.000 1.137 305 S CA -0.207 57.994 58.200 0.001 0.000 0.900 305 S CB 1.290 64.464 63.200 -0.043 0.000 1.176 305 S HN 1.757 nan 8.310 nan 0.000 0.520 306 G N 1.074 109.896 108.800 0.036 0.000 2.548 306 G HA2 -0.172 3.788 3.960 0.000 0.000 0.208 306 G HA3 -0.172 3.788 3.960 0.000 0.000 0.208 306 G C 0.300 175.224 174.900 0.040 0.000 1.308 306 G CA 0.119 45.254 45.100 0.058 0.000 0.924 306 G HN 0.899 nan 8.290 nan 0.000 0.540 307 K N 0.717 121.133 120.400 0.026 0.000 2.089 307 K HA -0.116 4.204 4.320 0.000 0.000 0.210 307 K C -0.148 176.460 176.600 0.012 0.000 1.048 307 K CA 2.295 58.593 56.287 0.018 0.000 0.926 307 K CB -0.849 31.652 32.500 0.001 0.000 0.714 307 K HN 0.305 nan 8.250 nan 0.000 0.448 308 P HA -0.142 nan 4.420 nan 0.000 0.221 308 P C 0.987 178.292 177.300 0.010 0.000 1.145 308 P CA 0.844 63.947 63.100 0.005 0.000 0.795 308 P CB 0.113 31.814 31.700 0.002 0.000 0.775 309 L N -1.357 119.876 121.223 0.016 0.000 2.416 309 L HA 0.216 4.556 4.340 0.000 0.000 0.216 309 L C 2.326 179.209 176.870 0.022 0.000 1.098 309 L CA 0.909 55.761 54.840 0.019 0.000 0.840 309 L CB -0.630 41.443 42.059 0.023 0.000 0.981 309 L HN -0.301 nan 8.230 nan 0.000 0.462 310 R N 0.140 120.654 120.500 0.024 0.000 2.179 310 R HA -0.265 4.075 4.340 0.000 0.000 0.238 310 R C 1.633 177.945 176.300 0.019 0.000 1.119 310 R CA 2.682 58.798 56.100 0.026 0.000 0.915 310 R CB -0.501 29.815 30.300 0.026 0.000 0.870 310 R HN 0.386 nan 8.270 nan 0.000 0.432 311 D N 0.098 120.506 120.400 0.013 0.000 2.219 311 D HA -0.126 4.514 4.640 0.000 0.000 0.205 311 D C 1.716 178.022 176.300 0.011 0.000 0.970 311 D CA 0.636 54.642 54.000 0.009 0.000 0.851 311 D CB -0.181 40.622 40.800 0.004 0.000 0.943 311 D HN 0.186 nan 8.370 nan 0.000 0.488 312 L N 0.386 121.617 121.223 0.013 0.000 2.083 312 L HA -0.111 4.229 4.340 0.000 0.000 0.209 312 L C 2.001 178.882 176.870 0.019 0.000 1.083 312 L CA 1.590 56.439 54.840 0.014 0.000 0.752 312 L CB -0.561 41.506 42.059 0.014 0.000 0.899 312 L HN -0.145 nan 8.230 nan 0.000 0.433 313 S N -1.126 114.587 115.700 0.022 0.000 2.355 313 S HA -0.159 4.311 4.470 0.000 0.000 0.222 313 S C 1.785 176.401 174.600 0.026 0.000 1.031 313 S CA 1.619 59.836 58.200 0.027 0.000 0.993 313 S CB -0.499 62.720 63.200 0.032 0.000 0.859 313 S HN 0.584 nan 8.310 nan 0.000 0.453 314 T N 2.447 117.013 114.554 0.020 0.000 2.720 314 T HA -0.120 4.230 4.350 0.000 0.000 0.268 314 T C 1.920 176.631 174.700 0.017 0.000 1.037 314 T CA 1.117 63.225 62.100 0.013 0.000 1.144 314 T CB -0.300 68.570 68.868 0.004 0.000 0.864 314 T HN 0.299 nan 8.240 nan 0.000 0.444 315 Q N 0.505 120.315 119.800 0.017 0.000 2.167 315 Q HA -0.048 4.292 4.340 0.000 0.000 0.202 315 Q C 2.563 178.585 176.000 0.037 0.000 0.970 315 Q CA 1.261 57.076 55.803 0.021 0.000 0.855 315 Q CB -0.740 28.007 28.738 0.014 0.000 0.911 315 Q HN 0.514 nan 8.270 nan 0.000 0.438 316 T N 1.445 116.020 114.554 0.036 0.000 2.821 316 T HA -0.031 4.319 4.350 0.000 0.000 0.267 316 T C 2.032 176.767 174.700 0.058 0.000 1.046 316 T CA 0.672 62.798 62.100 0.043 0.000 1.139 316 T CB -0.110 68.779 68.868 0.036 0.000 0.871 316 T HN 0.181 nan 8.240 nan 0.000 0.454 317 I N 0.654 121.258 120.570 0.055 0.000 2.179 317 I HA -0.172 3.998 4.170 0.000 0.000 0.242 317 I C 2.847 179.036 176.117 0.120 0.000 1.088 317 I CA 1.236 62.578 61.300 0.068 0.000 1.357 317 I CB -0.321 37.703 38.000 0.039 0.000 1.051 317 I HN 0.115 nan 8.210 nan 0.000 0.409 318 R N 0.735 121.307 120.500 0.120 0.000 2.083 318 R HA -0.267 4.073 4.340 0.000 0.000 0.237 318 R C 2.288 178.749 176.300 0.269 0.000 1.137 318 R CA 2.117 58.343 56.100 0.211 0.000 0.951 318 R CB -0.144 30.206 30.300 0.082 0.000 0.851 318 R HN 0.214 nan 8.270 nan 0.000 0.434 319 E N 0.061 120.353 120.200 0.154 0.000 2.072 319 E HA -0.160 4.190 4.350 0.000 0.000 0.191 319 E C 1.846 178.512 176.600 0.110 0.000 0.985 319 E CA 1.526 58.001 56.400 0.125 0.000 0.801 319 E CB -0.031 29.713 29.700 0.074 0.000 0.750 319 E HN 0.195 nan 8.360 nan 0.000 0.452 320 M N -0.440 119.218 119.600 0.097 0.000 2.159 320 M HA -0.111 4.369 4.480 0.000 0.000 0.263 320 M C 2.078 178.415 176.300 0.060 0.000 1.063 320 M CA 1.261 56.599 55.300 0.064 0.000 1.110 320 M CB -1.224 31.408 32.600 0.054 0.000 1.374 320 M HN 0.243 nan 8.290 nan 0.000 0.411 321 Y N 1.184 121.462 120.300 -0.037 0.000 2.145 321 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 321 Y C 2.414 178.215 175.900 -0.166 0.000 1.145 321 Y CA 2.145 60.166 58.100 -0.131 0.000 1.148 321 Y CB -0.340 37.991 38.460 -0.215 0.000 0.981 321 Y HN 0.203 nan 8.280 nan 0.000 0.507 322 A N 0.121 122.956 122.820 0.026 0.000 1.873 322 A HA -0.148 4.172 4.320 0.000 0.000 0.215 322 A C 2.274 179.824 177.584 -0.057 0.000 1.186 322 A CA 1.757 53.790 52.037 -0.007 0.000 0.616 322 A CB -1.162 17.939 19.000 0.167 0.000 0.823 322 A HN 0.541 nan 8.150 nan 0.000 0.442 323 L N -0.002 121.208 121.223 -0.023 0.000 2.131 323 L HA -0.137 4.203 4.340 0.000 0.000 0.210 323 L C 2.449 179.276 176.870 -0.073 0.000 1.092 323 L CA 1.704 56.525 54.840 -0.032 0.000 0.759 323 L CB -0.578 41.476 42.059 -0.009 0.000 0.903 323 L HN 0.646 nan 8.230 nan 0.000 0.435 324 T N -4.345 110.137 114.554 -0.120 0.000 3.122 324 T HA 0.080 4.430 4.350 0.000 0.000 0.250 324 T C 0.750 175.315 174.700 -0.224 0.000 1.067 324 T CA -0.332 61.680 62.100 -0.148 0.000 0.966 324 T CB 0.173 68.958 68.868 -0.139 0.000 1.002 324 T HN 0.376 nan 8.240 nan 0.000 0.542 325 Q N 0.390 120.033 119.800 -0.261 0.000 2.461 325 Q HA -0.229 4.111 4.340 0.000 0.000 0.273 325 Q C 1.162 176.882 176.000 -0.467 0.000 1.163 325 Q CA 0.486 56.113 55.803 -0.293 0.000 0.929 325 Q CB -2.343 26.294 28.738 -0.168 0.000 1.334 325 Q HN 1.034 nan 8.270 nan 0.000 0.499 326 G N -0.101 108.186 108.800 -0.856 0.000 2.187 326 G HA2 -0.381 3.579 3.960 0.000 0.000 0.261 326 G HA3 -0.381 3.579 3.960 0.000 0.000 0.261 326 G C 0.610 175.247 174.900 -0.438 0.000 1.000 326 G CA 0.838 45.259 45.100 -1.131 0.000 0.718 326 G HN 0.513 nan 8.290 nan 0.000 0.519 327 R N -1.128 119.193 120.500 -0.298 0.000 2.334 327 R HA 0.339 4.679 4.340 0.000 0.000 0.216 327 R C 0.275 176.504 176.300 -0.119 0.000 0.905 327 R CA 0.363 56.367 56.100 -0.161 0.000 1.064 327 R CB 0.901 31.125 30.300 -0.126 0.000 1.046 327 R HN 0.311 nan 8.270 nan 0.000 0.508 328 V N 2.834 122.668 119.914 -0.132 0.000 2.376 328 V HA 0.268 4.388 4.120 0.000 0.000 0.287 328 V C -2.333 173.729 176.094 -0.053 0.000 1.015 328 V CA -2.437 59.814 62.300 -0.081 0.000 0.834 328 V CB 1.696 33.475 31.823 -0.074 0.000 1.001 328 V HN -0.058 nan 8.190 nan 0.000 0.428 329 P HA 0.171 nan 4.420 nan 0.000 0.262 329 P C -0.628 176.639 177.300 -0.056 0.000 1.182 329 P CA 0.534 63.600 63.100 -0.057 0.000 0.761 329 P CB 0.409 32.054 31.700 -0.092 0.000 0.795 330 I N 3.989 124.534 120.570 -0.041 0.000 2.465 330 I HA 0.353 4.523 4.170 0.000 0.000 0.291 330 I C 0.032 176.108 176.117 -0.068 0.000 1.014 330 I CA -0.720 60.561 61.300 -0.032 0.000 1.093 330 I CB 1.656 39.675 38.000 0.032 0.000 1.267 330 I HN 0.127 nan 8.210 nan 0.000 0.431 331 I N 5.292 125.822 120.570 -0.065 0.000 2.312 331 I HA 0.319 4.489 4.170 0.000 0.000 0.290 331 I C 0.746 176.874 176.117 0.018 0.000 1.008 331 I CA -0.296 60.979 61.300 -0.041 0.000 1.226 331 I CB 1.298 39.280 38.000 -0.030 0.000 1.371 331 I HN 0.619 nan 8.210 nan 0.000 0.468 332 G N 6.105 114.920 108.800 0.025 0.000 2.339 332 G HA2 0.548 4.508 3.960 0.000 0.000 0.287 332 G HA3 0.548 4.508 3.960 0.000 0.000 0.287 332 G C -0.629 174.306 174.900 0.058 0.000 1.163 332 G CA -0.160 44.961 45.100 0.034 0.000 0.872 332 G HN 0.386 nan 8.290 nan 0.000 0.464 333 V N 0.852 120.800 119.914 0.058 0.000 2.808 333 V HA 0.940 5.060 4.120 0.000 0.000 0.308 333 V C 0.263 176.393 176.094 0.060 0.000 1.099 333 V CA -0.067 62.273 62.300 0.067 0.000 0.920 333 V CB 1.607 33.476 31.823 0.078 0.000 1.014 333 V HN 1.679 nan 8.190 nan 0.000 0.425 334 G N 1.774 110.611 108.800 0.063 0.000 2.789 334 G HA2 0.533 4.493 3.960 0.000 0.000 0.353 334 G HA3 0.533 4.493 3.960 0.000 0.000 0.353 334 G C 0.469 175.401 174.900 0.054 0.000 1.220 334 G CA -0.083 45.050 45.100 0.055 0.000 1.204 334 G HN 2.137 nan 8.290 nan 0.000 0.574 335 G N -0.525 108.312 108.800 0.061 0.000 2.198 335 G HA2 0.004 3.964 3.960 0.000 0.000 0.260 335 G HA3 0.004 3.964 3.960 0.000 0.000 0.260 335 G C 0.545 175.491 174.900 0.077 0.000 1.025 335 G CA 0.600 45.739 45.100 0.066 0.000 0.769 335 G HN 1.784 nan 8.290 nan 0.000 0.507 336 V N 0.577 120.542 119.914 0.085 0.000 2.427 336 V HA 0.578 4.698 4.120 0.000 0.000 0.268 336 V C 1.119 177.285 176.094 0.120 0.000 1.046 336 V CA 1.120 63.472 62.300 0.086 0.000 0.970 336 V CB 1.443 33.313 31.823 0.079 0.000 1.001 336 V HN 0.436 nan 8.190 nan 0.000 0.476 337 S N 2.723 118.495 115.700 0.120 0.000 2.787 337 S HA 0.273 4.743 4.470 0.000 0.000 0.255 337 S C 0.346 174.998 174.600 0.087 0.000 1.051 337 S CA 0.341 58.648 58.200 0.178 0.000 1.124 337 S CB 0.214 63.586 63.200 0.286 0.000 1.104 337 S HN 0.957 nan 8.310 nan 0.000 0.623 338 S N -1.469 114.253 115.700 0.037 0.000 2.656 338 S HA 0.658 5.128 4.470 0.000 0.000 0.273 338 S C 1.120 175.709 174.600 -0.018 0.000 1.168 338 S CA -0.128 58.064 58.200 -0.013 0.000 0.817 338 S CB 0.584 63.766 63.200 -0.030 0.000 1.146 338 S HN 0.117 nan 8.310 nan 0.000 0.475 339 G N 0.144 108.921 108.800 -0.039 0.000 2.422 339 G HA2 -0.177 3.784 3.960 0.000 0.000 0.218 339 G HA3 -0.177 3.784 3.960 0.000 0.000 0.218 339 G C 1.144 176.033 174.900 -0.017 0.000 1.146 339 G CA 1.110 46.188 45.100 -0.036 0.000 0.769 339 G HN 0.831 nan 8.290 nan 0.000 0.547 340 Q N 0.220 120.011 119.800 -0.014 0.000 2.084 340 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 340 Q C 1.910 177.908 176.000 -0.003 0.000 0.978 340 Q CA 1.647 57.447 55.803 -0.006 0.000 0.844 340 Q CB -0.119 28.614 28.738 -0.007 0.000 0.898 340 Q HN 0.351 nan 8.270 nan 0.000 0.426 341 D N 0.422 120.823 120.400 0.002 0.000 2.123 341 D HA -0.161 4.479 4.640 0.000 0.000 0.196 341 D C 1.748 178.052 176.300 0.007 0.000 0.992 341 D CA 1.452 55.458 54.000 0.010 0.000 0.833 341 D CB -0.318 40.498 40.800 0.027 0.000 0.954 341 D HN 0.422 nan 8.370 nan 0.000 0.455 342 A N 0.848 123.671 122.820 0.006 0.000 1.877 342 A HA -0.135 4.185 4.320 0.000 0.000 0.216 342 A C 2.169 179.742 177.584 -0.019 0.000 1.186 342 A CA 1.030 53.068 52.037 0.002 0.000 0.620 342 A CB -0.790 18.213 19.000 0.004 0.000 0.822 342 A HN 0.227 nan 8.150 nan 0.000 0.443 343 L N 0.252 121.460 121.223 -0.024 0.000 2.083 343 L HA -0.137 4.203 4.340 0.000 0.000 0.209 343 L C 2.151 178.992 176.870 -0.049 0.000 1.083 343 L CA 2.195 57.008 54.840 -0.044 0.000 0.752 343 L CB -0.660 41.388 42.059 -0.018 0.000 0.899 343 L HN 0.520 nan 8.230 nan 0.000 0.433 344 E N -0.645 119.539 120.200 -0.027 0.000 2.110 344 E HA -0.246 4.104 4.350 0.000 0.000 0.193 344 E C 2.118 178.693 176.600 -0.042 0.000 0.988 344 E CA 1.266 57.648 56.400 -0.028 0.000 0.804 344 E CB -0.058 29.633 29.700 -0.015 0.000 0.745 344 E HN 0.517 nan 8.360 nan 0.000 0.458 345 K N 0.421 120.800 120.400 -0.035 0.000 2.103 345 K HA -0.063 4.257 4.320 0.000 0.000 0.204 345 K C 2.151 178.706 176.600 -0.075 0.000 1.052 345 K CA 0.772 57.037 56.287 -0.038 0.000 0.945 345 K CB -0.006 32.486 32.500 -0.014 0.000 0.722 345 K HN 0.092 nan 8.250 nan 0.000 0.443 346 I N 0.767 121.282 120.570 -0.092 0.000 2.179 346 I HA -0.274 3.896 4.170 0.000 0.000 0.242 346 I C 2.283 178.286 176.117 -0.190 0.000 1.088 346 I CA 1.268 62.483 61.300 -0.141 0.000 1.357 346 I CB -0.177 37.733 38.000 -0.150 0.000 1.051 346 I HN 0.106 nan 8.210 nan 0.000 0.409 347 R N 0.649 121.048 120.500 -0.167 0.000 2.152 347 R HA -0.091 4.249 4.340 0.000 0.000 0.232 347 R C 2.233 178.453 176.300 -0.135 0.000 1.117 347 R CA 1.277 57.284 56.100 -0.155 0.000 0.981 347 R CB -0.334 29.914 30.300 -0.087 0.000 0.870 347 R HN 0.361 nan 8.270 nan 0.000 0.451 348 A N -0.362 122.385 122.820 -0.122 0.000 2.167 348 A HA 0.143 4.463 4.320 0.000 0.000 0.214 348 A C 1.473 178.972 177.584 -0.142 0.000 1.151 348 A CA 1.245 53.238 52.037 -0.074 0.000 0.735 348 A CB 0.185 19.162 19.000 -0.038 0.000 0.802 348 A HN 0.467 nan 8.150 nan 0.000 0.467 349 G N -2.873 105.699 108.800 -0.381 0.000 2.559 349 G HA2 0.278 4.238 3.960 0.000 0.000 0.202 349 G HA3 0.278 4.238 3.960 0.000 0.000 0.202 349 G C 0.266 175.010 174.900 -0.260 0.000 0.992 349 G CA -0.004 44.635 45.100 -0.770 0.000 0.764 349 G HN 1.259 nan 8.290 nan 0.000 0.525 350 A N 0.649 123.378 122.820 -0.153 0.000 2.363 350 A HA 0.755 5.075 4.320 0.000 0.000 0.270 350 A C 1.323 178.843 177.584 -0.107 0.000 1.121 350 A CA 0.972 52.958 52.037 -0.085 0.000 0.800 350 A CB 0.850 19.817 19.000 -0.056 0.000 1.052 350 A HN 0.659 nan 8.150 nan 0.000 0.493 351 S N 1.052 116.686 115.700 -0.110 0.000 2.478 351 S HA 0.268 4.738 4.470 0.000 0.000 0.222 351 S C 0.382 174.865 174.600 -0.195 0.000 1.008 351 S CA 0.521 58.632 58.200 -0.148 0.000 0.928 351 S CB -0.327 62.773 63.200 -0.167 0.000 0.781 351 S HN 0.592 nan 8.310 nan 0.000 0.518 352 L N 0.528 121.640 121.223 -0.185 0.000 2.479 352 L HA 0.697 5.037 4.340 0.000 0.000 0.255 352 L C -1.038 175.844 176.870 0.020 0.000 1.026 352 L CA -1.085 53.670 54.840 -0.142 0.000 0.842 352 L CB 2.156 43.964 42.059 -0.417 0.000 1.444 352 L HN -0.045 nan 8.230 nan 0.000 0.409 353 V N -1.414 118.594 119.914 0.156 0.000 3.130 353 V HA 0.725 4.845 4.120 0.000 0.000 0.310 353 V C -1.196 175.017 176.094 0.197 0.000 1.158 353 V CA -0.522 61.865 62.300 0.145 0.000 1.029 353 V CB 2.075 33.948 31.823 0.085 0.000 1.057 353 V HN 0.884 nan 8.190 nan 0.000 0.436 354 Q N 1.399 121.268 119.800 0.114 0.000 2.495 354 Q HA 0.869 5.209 4.340 0.000 0.000 0.287 354 Q C -1.593 174.439 176.000 0.054 0.000 1.078 354 Q CA -0.882 54.936 55.803 0.025 0.000 0.793 354 Q CB 2.885 31.617 28.738 -0.011 0.000 1.459 354 Q HN 0.933 nan 8.270 nan 0.000 0.422 355 L N -2.572 118.676 121.223 0.041 0.000 2.469 355 L HA 0.580 4.920 4.340 0.000 0.000 0.256 355 L C -1.038 175.902 176.870 0.116 0.000 1.006 355 L CA -0.453 54.452 54.840 0.109 0.000 0.832 355 L CB 1.384 43.538 42.059 0.157 0.000 1.421 355 L HN 0.882 nan 8.230 nan 0.000 0.410 356 Y N -0.430 119.863 120.300 -0.012 0.000 3.341 356 Y HA -0.009 4.541 4.550 0.000 0.000 0.179 356 Y C 1.584 177.470 175.900 -0.023 0.000 0.929 356 Y CA 0.500 58.571 58.100 -0.048 0.000 1.758 356 Y CB 0.743 39.183 38.460 -0.034 0.000 1.446 356 Y HN 0.669 nan 8.280 nan 0.000 0.337 357 T N 1.961 116.548 114.554 0.056 0.000 2.685 357 T HA -0.260 4.090 4.350 0.000 0.000 0.268 357 T C 1.762 176.499 174.700 0.062 0.000 1.034 357 T CA 1.698 63.764 62.100 -0.058 0.000 1.149 357 T CB -0.638 68.224 68.868 -0.010 0.000 0.860 357 T HN 0.512 nan 8.240 nan 0.000 0.449 358 A N 1.035 123.934 122.820 0.132 0.000 1.978 358 A HA -0.031 4.289 4.320 0.000 0.000 0.220 358 A C 2.228 179.854 177.584 0.071 0.000 1.170 358 A CA 1.319 53.443 52.037 0.145 0.000 0.636 358 A CB -0.718 18.446 19.000 0.273 0.000 0.810 358 A HN 0.435 nan 8.150 nan 0.000 0.448 359 L N 0.484 121.769 121.223 0.103 0.000 2.093 359 L HA -0.111 4.229 4.340 0.000 0.000 0.208 359 L C 2.689 179.556 176.870 -0.006 0.000 1.085 359 L CA 2.823 57.706 54.840 0.071 0.000 0.755 359 L CB -0.930 41.152 42.059 0.038 0.000 0.904 359 L HN 0.558 nan 8.230 nan 0.000 0.435 360 T N -3.714 110.793 114.554 -0.079 0.000 2.915 360 T HA -0.144 4.206 4.350 0.000 0.000 0.269 360 T C 1.651 176.072 174.700 -0.465 0.000 1.071 360 T CA 1.469 63.424 62.100 -0.241 0.000 1.132 360 T CB -0.728 67.910 68.868 -0.385 0.000 0.878 360 T HN 0.335 nan 8.240 nan 0.000 0.479 361 F N -0.540 119.144 119.950 -0.444 0.000 2.274 361 F HA 0.346 4.873 4.527 -0.000 0.000 0.288 361 F C 1.832 177.271 175.800 -0.602 0.000 1.069 361 F CA -0.084 57.436 58.000 -0.800 0.000 1.343 361 F CB 0.019 38.070 39.000 -1.582 0.000 1.089 361 F HN 0.162 nan 8.300 nan 0.000 0.517 362 W N 0.335 121.775 121.300 0.233 0.000 3.114 362 W HA 0.467 5.127 4.660 0.000 0.000 0.279 362 W C 1.128 177.737 176.519 0.150 0.000 1.277 362 W CA 0.267 57.709 57.345 0.161 0.000 1.630 362 W CB -0.265 29.262 29.460 0.112 0.000 1.087 362 W HN 0.128 nan 8.180 nan 0.000 0.637 363 G N 0.991 109.942 108.800 0.252 0.000 2.828 363 G HA2 -0.270 3.690 3.960 0.000 0.000 0.463 363 G HA3 -0.270 3.690 3.960 0.000 0.000 0.463 363 G C -1.731 173.205 174.900 0.060 0.000 1.394 363 G CA -0.548 44.675 45.100 0.206 0.000 0.862 363 G HN -0.097 nan 8.290 nan 0.000 0.540 364 P HA -0.076 nan 4.420 nan 0.000 0.218 364 P C -1.154 176.025 177.300 -0.202 0.000 1.152 364 P CA 2.538 65.553 63.100 -0.142 0.000 0.857 364 P CB -0.432 31.180 31.700 -0.145 0.000 0.787 365 P HA -0.112 nan 4.420 nan 0.000 0.221 365 P C 1.631 178.874 177.300 -0.096 0.000 1.145 365 P CA 0.799 63.785 63.100 -0.190 0.000 0.795 365 P CB -0.377 31.204 31.700 -0.199 0.000 0.775 366 V N -0.504 119.395 119.914 -0.025 0.000 2.594 366 V HA -0.189 3.931 4.120 0.000 0.000 0.253 366 V C 2.031 178.078 176.094 -0.078 0.000 1.069 366 V CA 1.644 63.956 62.300 0.021 0.000 1.082 366 V CB -0.727 31.214 31.823 0.196 0.000 0.680 366 V HN -0.062 nan 8.190 nan 0.000 0.469 367 V N 0.658 120.461 119.914 -0.186 0.000 2.307 367 V HA -0.122 3.998 4.120 0.000 0.000 0.245 367 V C 2.704 178.641 176.094 -0.262 0.000 1.045 367 V CA 2.132 64.239 62.300 -0.322 0.000 1.024 367 V CB -1.489 29.946 31.823 -0.646 0.000 0.651 367 V HN 0.606 nan 8.190 nan 0.000 0.449 368 G N -0.654 108.019 108.800 -0.213 0.000 2.408 368 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 368 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 368 G C 1.644 176.369 174.900 -0.291 0.000 1.150 368 G CA 0.900 45.873 45.100 -0.212 0.000 0.776 368 G HN 0.465 nan 8.290 nan 0.000 0.542 369 K N 0.196 120.484 120.400 -0.186 0.000 2.026 369 K HA -0.066 4.254 4.320 0.000 0.000 0.208 369 K C 2.568 179.052 176.600 -0.193 0.000 1.048 369 K CA 1.413 57.603 56.287 -0.162 0.000 0.929 369 K CB -0.316 32.119 32.500 -0.109 0.000 0.713 369 K HN 0.181 nan 8.250 nan 0.000 0.439 370 V N 1.907 121.721 119.914 -0.168 0.000 2.332 370 V HA -0.261 3.859 4.120 0.000 0.000 0.248 370 V C 2.245 178.213 176.094 -0.211 0.000 1.055 370 V CA 1.887 64.104 62.300 -0.138 0.000 1.038 370 V CB -0.393 31.386 31.823 -0.075 0.000 0.651 370 V HN 0.366 nan 8.190 nan 0.000 0.450 371 K N -0.298 119.892 120.400 -0.350 0.000 2.057 371 K HA -0.193 4.127 4.320 0.000 0.000 0.207 371 K C 2.407 178.600 176.600 -0.678 0.000 1.049 371 K CA 1.516 57.499 56.287 -0.507 0.000 0.931 371 K CB -0.262 31.812 32.500 -0.710 0.000 0.714 371 K HN 0.317 nan 8.250 nan 0.000 0.440 372 R N 1.708 121.709 120.500 -0.832 0.000 2.081 372 R HA -0.155 4.185 4.340 0.000 0.000 0.235 372 R C 1.793 177.994 176.300 -0.165 0.000 1.131 372 R CA 1.657 57.480 56.100 -0.463 0.000 0.960 372 R CB 0.037 30.182 30.300 -0.258 0.000 0.856 372 R HN 0.245 nan 8.270 nan 0.000 0.436 373 E N 0.402 120.509 120.200 -0.155 0.000 2.106 373 E HA -0.204 4.146 4.350 0.000 0.000 0.192 373 E C 1.975 178.546 176.600 -0.049 0.000 0.984 373 E CA 1.030 57.384 56.400 -0.077 0.000 0.806 373 E CB -0.129 29.525 29.700 -0.076 0.000 0.750 373 E HN 0.208 nan 8.360 nan 0.000 0.458 374 L N 1.694 122.875 121.223 -0.070 0.000 2.017 374 L HA -0.189 4.151 4.340 0.000 0.000 0.208 374 L C 2.247 179.124 176.870 0.011 0.000 1.073 374 L CA 1.918 56.741 54.840 -0.029 0.000 0.745 374 L CB -0.366 41.670 42.059 -0.039 0.000 0.894 374 L HN 0.057 nan 8.230 nan 0.000 0.432 375 E N -0.602 119.609 120.200 0.019 0.000 2.058 375 E HA -0.262 4.088 4.350 0.000 0.000 0.194 375 E C 2.075 178.722 176.600 0.078 0.000 0.997 375 E CA 1.268 57.719 56.400 0.084 0.000 0.801 375 E CB -0.193 29.606 29.700 0.165 0.000 0.746 375 E HN 0.636 nan 8.360 nan 0.000 0.450 376 A N 0.996 123.850 122.820 0.056 0.000 1.877 376 A HA -0.165 4.155 4.320 0.000 0.000 0.216 376 A C 2.218 179.832 177.584 0.051 0.000 1.186 376 A CA 1.208 53.275 52.037 0.050 0.000 0.620 376 A CB -0.694 18.325 19.000 0.031 0.000 0.822 376 A HN 0.305 nan 8.150 nan 0.000 0.443 377 L N -0.699 120.553 121.223 0.048 0.000 2.083 377 L HA -0.176 4.164 4.340 0.000 0.000 0.209 377 L C 2.581 179.524 176.870 0.122 0.000 1.083 377 L CA 0.920 55.799 54.840 0.065 0.000 0.752 377 L CB -0.516 41.574 42.059 0.051 0.000 0.899 377 L HN 0.387 nan 8.230 nan 0.000 0.433 378 L N -0.314 120.993 121.223 0.139 0.000 2.012 378 L HA -0.262 4.078 4.340 0.000 0.000 0.210 378 L C 2.680 179.671 176.870 0.202 0.000 1.073 378 L CA 1.576 56.561 54.840 0.241 0.000 0.748 378 L CB -0.471 41.689 42.059 0.168 0.000 0.891 378 L HN 0.217 nan 8.230 nan 0.000 0.431 379 K N -0.124 120.346 120.400 0.116 0.000 2.002 379 K HA -0.256 4.064 4.320 0.000 0.000 0.209 379 K C 2.034 178.653 176.600 0.031 0.000 1.048 379 K CA 1.724 58.052 56.287 0.068 0.000 0.930 379 K CB -0.243 32.290 32.500 0.056 0.000 0.714 379 K HN 0.275 nan 8.250 nan 0.000 0.438 380 E N 1.243 121.464 120.200 0.035 0.000 2.171 380 E HA -0.240 4.110 4.350 0.000 0.000 0.197 380 E C 1.342 177.930 176.600 -0.021 0.000 0.997 380 E CA 1.294 57.700 56.400 0.010 0.000 0.810 380 E CB 0.168 29.880 29.700 0.021 0.000 0.738 380 E HN 0.314 nan 8.360 nan 0.000 0.467 381 Q N -1.243 118.546 119.800 -0.018 0.000 2.246 381 Q HA 0.159 4.499 4.340 0.000 0.000 0.202 381 Q C 0.544 176.295 176.000 -0.415 0.000 0.883 381 Q CA 0.309 56.029 55.803 -0.138 0.000 0.952 381 Q CB 1.113 29.858 28.738 0.011 0.000 1.078 381 Q HN 0.445 nan 8.270 nan 0.000 0.493 382 G N 0.846 109.492 108.800 -0.257 0.000 2.147 382 G HA2 -0.281 3.679 3.960 0.000 0.000 0.244 382 G HA3 -0.281 3.679 3.960 0.000 0.000 0.244 382 G C -0.257 174.451 174.900 -0.321 0.000 1.005 382 G CA -0.201 44.731 45.100 -0.280 0.000 0.713 382 G HN 0.321 nan 8.290 nan 0.000 0.515 383 F N 0.240 120.197 119.950 0.010 0.000 2.404 383 F HA 0.520 5.047 4.527 0.000 0.000 0.345 383 F C 1.752 177.562 175.800 0.017 0.000 1.110 383 F CA 0.006 58.014 58.000 0.012 0.000 1.130 383 F CB 1.648 40.655 39.000 0.011 0.000 1.129 383 F HN -0.007 nan 8.300 nan 0.000 0.500 384 G N 1.913 110.834 108.800 0.202 0.000 2.471 384 G HA2 0.339 4.299 3.960 0.000 0.000 0.219 384 G HA3 0.339 4.299 3.960 0.000 0.000 0.219 384 G C 0.508 175.479 174.900 0.119 0.000 1.125 384 G CA 0.723 45.896 45.100 0.122 0.000 0.775 384 G HN 0.986 nan 8.290 nan 0.000 0.548 385 G N -2.196 106.688 108.800 0.139 0.000 2.441 385 G HA2 0.320 4.280 3.960 0.000 0.000 0.294 385 G HA3 0.320 4.280 3.960 0.000 0.000 0.294 385 G C 0.426 175.348 174.900 0.036 0.000 1.393 385 G CA 0.123 45.276 45.100 0.089 0.000 0.796 385 G HN 0.108 nan 8.290 nan 0.000 0.494 386 V N 0.357 120.274 119.914 0.004 0.000 2.282 386 V HA -0.191 3.929 4.120 0.000 0.000 0.249 386 V C 3.156 179.191 176.094 -0.098 0.000 1.057 386 V CA 3.060 65.322 62.300 -0.064 0.000 1.032 386 V CB -0.976 30.830 31.823 -0.029 0.000 0.645 386 V HN 0.877 nan 8.190 nan 0.000 0.447 387 T N -0.420 114.110 114.554 -0.041 0.000 2.737 387 T HA -0.229 4.121 4.350 0.000 0.000 0.269 387 T C 1.589 176.264 174.700 -0.042 0.000 1.040 387 T CA 1.758 63.837 62.100 -0.035 0.000 1.142 387 T CB -0.426 68.443 68.868 0.002 0.000 0.861 387 T HN 0.523 nan 8.240 nan 0.000 0.456 388 D N 1.158 121.549 120.400 -0.015 0.000 2.219 388 D HA 0.039 4.679 4.640 0.000 0.000 0.205 388 D C 2.126 178.369 176.300 -0.094 0.000 0.970 388 D CA 0.951 54.979 54.000 0.046 0.000 0.851 388 D CB -0.216 40.704 40.800 0.200 0.000 0.943 388 D HN 0.469 nan 8.370 nan 0.000 0.488 389 A N 0.425 122.974 122.820 -0.452 0.000 2.132 389 A HA 0.099 4.419 4.320 0.000 0.000 0.213 389 A C 1.226 178.548 177.584 -0.437 0.000 1.154 389 A CA -0.247 51.233 52.037 -0.928 0.000 0.753 389 A CB -0.221 17.981 19.000 -1.330 0.000 0.826 389 A HN 0.121 nan 8.150 nan 0.000 0.469 390 I N 0.864 121.280 120.570 -0.256 0.000 2.752 390 I HA 0.145 4.315 4.170 0.000 0.000 0.286 390 I C 1.549 177.549 176.117 -0.194 0.000 1.180 390 I CA 1.240 62.422 61.300 -0.196 0.000 1.404 390 I CB -0.204 37.731 38.000 -0.108 0.000 1.389 390 I HN 0.454 nan 8.210 nan 0.000 0.549 391 G N 4.559 113.154 108.800 -0.342 0.000 2.155 391 G HA2 -0.355 3.605 3.960 0.000 0.000 0.257 391 G HA3 -0.355 3.605 3.960 0.000 0.000 0.257 391 G C 1.139 176.019 174.900 -0.033 0.000 0.983 391 G CA 0.492 45.338 45.100 -0.424 0.000 0.676 391 G HN 0.880 nan 8.290 nan 0.000 0.528 392 A N 0.178 122.974 122.820 -0.041 0.000 1.948 392 A HA -0.072 4.248 4.320 0.000 0.000 0.220 392 A C 2.052 179.691 177.584 0.091 0.000 1.177 392 A CA 2.386 54.468 52.037 0.075 0.000 0.636 392 A CB -0.369 18.710 19.000 0.132 0.000 0.815 392 A HN 0.442 nan 8.150 nan 0.000 0.449 393 D N -0.779 119.636 120.400 0.025 0.000 2.178 393 D HA -0.130 4.510 4.640 0.000 0.000 0.201 393 D C 1.579 177.838 176.300 -0.068 0.000 0.980 393 D CA 1.177 55.147 54.000 -0.049 0.000 0.842 393 D CB -0.533 40.169 40.800 -0.163 0.000 0.948 393 D HN 0.674 nan 8.370 nan 0.000 0.472 394 H N -0.050 119.030 119.070 0.016 0.000 2.546 394 H HA 0.116 4.672 4.556 -0.000 0.000 0.277 394 H C 1.343 176.714 175.328 0.072 0.000 1.004 394 H CA 0.567 56.657 56.048 0.069 0.000 1.231 394 H CB 0.431 30.289 29.762 0.161 0.000 1.382 394 H HN 0.140 nan 8.280 nan 0.000 0.580 395 R N 1.194 121.796 120.500 0.169 0.000 2.362 395 R HA 0.094 4.434 4.340 0.000 0.000 0.227 395 R C 0.865 177.213 176.300 0.079 0.000 0.905 395 R CA -0.160 56.013 56.100 0.122 0.000 1.067 395 R CB 0.642 31.015 30.300 0.123 0.000 1.078 395 R HN 0.320 nan 8.270 nan 0.000 0.516 396 R N 0.000 120.536 120.500 0.061 0.000 2.786 396 R HA 0.000 4.340 4.340 0.000 0.000 0.208 396 R CA 0.000 56.123 56.100 0.038 0.000 0.921 396 R CB 0.000 30.318 30.300 0.029 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535