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 1sjp_1_B DATA FIRST_RESID 62 DATA SEQUENCE DPYEKIGAEL VKEVAKKTXX XXXXXXTTAT VLAQALVREG LRNVAAGANP DATA SEQUENCE LGLKRGIEKA VEKVTETLLK GAKEVETKEQ IAATAAISAG DQSIGDLIAE DATA SEQUENCE AMDKVGNEGV ITVEESNTFG LQLELTEGMR FDKGYISGYF VTDPERQEAV DATA SEQUENCE LEDPYILLVS SKVSTVKDLL PLLEKVIGAG KPLLIIAEDV EGEALSTLVV DATA SEQUENCE NKIRGTFKSV AVKAPGFGDR RKAMLQDMAI LTGGQVISEE VGLTLENADL DATA SEQUENCE SLLGKARKVV VTKDETTIVE GAGDTDAIAG RVAQIRQEIE NSDSDYDREK DATA SEQUENCE LQERLAKLAG GVAVIKAGAA TEVELKERKH RIEDAVRNAK AAVEEGIVAG DATA SEQUENCE GGVTLLQAAP TLDELKLEGD EATGANIVKV ALEAPLKQIA FNSGLEPGVV DATA SEQUENCE AEKVRNLPAG HGLNAQTGVY EDLLAAGVAD PVKVTRSALQ NAASIAGLFL DATA SEQUENCE TTE 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 62 D HA 0.000 nan 4.640 nan 0.000 0.175 62 D C 0.000 176.333 176.300 0.055 0.000 2.045 62 D CA 0.000 54.027 54.000 0.045 0.000 0.868 62 D CB 0.000 40.818 40.800 0.030 0.000 0.688 63 P HA -0.225 nan 4.420 nan 0.000 0.222 63 P C 1.419 178.776 177.300 0.095 0.000 1.157 63 P CA 1.716 64.857 63.100 0.068 0.000 0.905 63 P CB -0.117 31.627 31.700 0.074 0.000 0.792 64 Y N -0.065 120.238 120.300 0.004 0.000 2.314 64 Y HA -0.013 4.538 4.550 0.002 0.000 0.294 64 Y C 2.250 178.154 175.900 0.007 0.000 1.119 64 Y CA 1.248 59.350 58.100 0.003 0.000 1.179 64 Y CB -0.405 38.056 38.460 0.003 0.000 1.025 64 Y HN -0.056 nan 8.280 nan 0.000 0.541 65 E N 0.321 120.548 120.200 0.045 0.000 2.118 65 E HA -0.253 4.098 4.350 0.002 0.000 0.195 65 E C 2.070 178.620 176.600 -0.083 0.000 0.992 65 E CA 1.349 57.732 56.400 -0.028 0.000 0.804 65 E CB -0.072 29.653 29.700 0.041 0.000 0.741 65 E HN 0.393 nan 8.360 nan 0.000 0.458 66 K N 0.798 121.164 120.400 -0.056 0.000 1.985 66 K HA -0.147 4.174 4.320 0.002 0.000 0.210 66 K C 1.910 178.453 176.600 -0.094 0.000 1.047 66 K CA 1.237 57.491 56.287 -0.056 0.000 0.932 66 K CB 0.009 32.493 32.500 -0.026 0.000 0.716 66 K HN 0.031 nan 8.250 nan 0.000 0.439 67 I N 1.028 121.519 120.570 -0.131 0.000 2.850 67 I HA -0.124 4.047 4.170 0.002 0.000 0.266 67 I C 2.122 178.100 176.117 -0.233 0.000 1.257 67 I CA 1.260 62.464 61.300 -0.160 0.000 1.465 67 I CB -1.675 36.235 38.000 -0.150 0.000 1.091 67 I HN 0.382 nan 8.210 nan 0.000 0.467 68 G N 0.614 109.241 108.800 -0.288 0.000 2.564 68 G HA2 0.063 4.024 3.960 0.002 0.000 0.212 68 G HA3 0.063 4.024 3.960 0.002 0.000 0.212 68 G C 1.844 176.709 174.900 -0.058 0.000 1.199 68 G CA 0.684 45.642 45.100 -0.236 0.000 0.832 68 G HN 0.399 nan 8.290 nan 0.000 0.565 69 A N 1.115 123.908 122.820 -0.045 0.000 1.873 69 A HA -0.162 4.159 4.320 0.002 0.000 0.218 69 A C 2.156 179.741 177.584 0.001 0.000 1.193 69 A CA 2.577 54.609 52.037 -0.007 0.000 0.629 69 A CB -0.698 18.284 19.000 -0.030 0.000 0.826 69 A HN 0.416 nan 8.150 nan 0.000 0.447 70 E N -0.384 119.802 120.200 -0.023 0.000 2.097 70 E HA -0.216 4.135 4.350 0.002 0.000 0.196 70 E C 1.718 178.320 176.600 0.004 0.000 1.000 70 E CA 1.557 57.947 56.400 -0.017 0.000 0.804 70 E CB -0.478 29.204 29.700 -0.030 0.000 0.740 70 E HN 0.419 nan 8.360 nan 0.000 0.454 71 L N -0.327 120.896 121.223 -0.001 0.000 2.191 71 L HA -0.080 4.262 4.340 0.002 0.000 0.212 71 L C 2.072 179.028 176.870 0.143 0.000 1.103 71 L CA 1.312 56.162 54.840 0.018 0.000 0.769 71 L CB -0.306 41.714 42.059 -0.065 0.000 0.908 71 L HN 0.149 nan 8.230 nan 0.000 0.438 72 V N -0.860 119.177 119.914 0.206 0.000 2.719 72 V HA -0.187 3.934 4.120 0.002 0.000 0.252 72 V C 2.459 178.601 176.094 0.081 0.000 1.065 72 V CA 1.486 63.931 62.300 0.240 0.000 1.086 72 V CB -0.790 31.103 31.823 0.117 0.000 0.700 72 V HN 0.458 nan 8.190 nan 0.000 0.467 73 K N -0.133 120.295 120.400 0.047 0.000 2.288 73 K HA -0.135 4.186 4.320 0.002 0.000 0.201 73 K C 2.017 178.631 176.600 0.024 0.000 1.048 73 K CA 0.825 57.121 56.287 0.015 0.000 0.956 73 K CB 0.171 32.670 32.500 -0.000 0.000 0.746 73 K HN 0.388 nan 8.250 nan 0.000 0.461 74 E N 0.353 120.581 120.200 0.047 0.000 2.014 74 E HA -0.106 4.245 4.350 0.002 0.000 0.190 74 E C 2.116 178.750 176.600 0.057 0.000 0.980 74 E CA 0.907 57.333 56.400 0.043 0.000 0.807 74 E CB -0.601 29.122 29.700 0.038 0.000 0.770 74 E HN 0.029 nan 8.360 nan 0.000 0.451 75 V N 2.306 122.285 119.914 0.108 0.000 2.250 75 V HA -0.332 3.790 4.120 0.002 0.000 0.250 75 V C 2.485 178.605 176.094 0.043 0.000 1.060 75 V CA 2.259 64.627 62.300 0.113 0.000 1.030 75 V CB -1.145 30.825 31.823 0.244 0.000 0.643 75 V HN 0.290 nan 8.190 nan 0.000 0.445 76 A N -0.467 122.360 122.820 0.012 0.000 1.892 76 A HA -0.278 4.044 4.320 0.002 0.000 0.218 76 A C 2.021 179.602 177.584 -0.006 0.000 1.188 76 A CA 1.990 54.015 52.037 -0.020 0.000 0.631 76 A CB -0.545 18.432 19.000 -0.038 0.000 0.822 76 A HN 0.564 nan 8.150 nan 0.000 0.447 77 K N 0.160 120.562 120.400 0.004 0.000 2.914 77 K HA 0.047 4.369 4.320 0.002 0.000 0.246 77 K C -0.643 175.961 176.600 0.007 0.000 0.949 77 K CA 0.462 56.751 56.287 0.003 0.000 1.136 77 K CB -0.215 32.288 32.500 0.004 0.000 0.976 77 K HN 0.354 nan 8.250 nan 0.000 0.473 78 K N 0.444 120.849 120.400 0.008 0.000 2.545 78 K HA 0.264 4.585 4.320 0.002 0.000 0.252 78 K C -0.851 175.753 176.600 0.007 0.000 0.948 78 K CA -0.337 55.956 56.287 0.010 0.000 0.827 78 K CB 2.194 34.705 32.500 0.019 0.000 1.128 78 K HN -0.097 nan 8.250 nan 0.000 0.429 89 T N 1.804 116.343 114.554 -0.024 0.000 2.624 89 T HA -0.212 4.140 4.350 0.002 0.000 0.268 89 T C 2.411 177.091 174.700 -0.034 0.000 1.041 89 T CA 1.908 63.992 62.100 -0.026 0.000 1.159 89 T CB -0.340 68.514 68.868 -0.022 0.000 0.863 89 T HN 0.773 nan 8.240 nan 0.000 0.434 90 A N 1.508 124.307 122.820 -0.034 0.000 1.884 90 A HA -0.234 4.087 4.320 0.002 0.000 0.219 90 A C 2.592 180.143 177.584 -0.055 0.000 1.197 90 A CA 2.608 54.619 52.037 -0.043 0.000 0.637 90 A CB -1.564 17.414 19.000 -0.037 0.000 0.827 90 A HN 0.517 nan 8.150 nan 0.000 0.450 91 T N -0.817 113.707 114.554 -0.049 0.000 2.595 91 T HA -0.166 4.186 4.350 0.002 0.000 0.264 91 T C 1.868 176.531 174.700 -0.063 0.000 1.058 91 T CA 1.690 63.756 62.100 -0.056 0.000 1.166 91 T CB -0.872 67.971 68.868 -0.041 0.000 0.863 91 T HN 0.265 nan 8.240 nan 0.000 0.415 92 V N 1.276 121.158 119.914 -0.053 0.000 2.370 92 V HA -0.191 3.931 4.120 0.002 0.000 0.252 92 V C 2.313 178.373 176.094 -0.058 0.000 1.068 92 V CA 1.737 64.003 62.300 -0.056 0.000 1.061 92 V CB -0.563 31.230 31.823 -0.049 0.000 0.656 92 V HN 0.466 nan 8.190 nan 0.000 0.455 93 L N -0.390 120.799 121.223 -0.056 0.000 2.056 93 L HA -0.055 4.287 4.340 0.002 0.000 0.207 93 L C 2.737 179.559 176.870 -0.079 0.000 1.078 93 L CA 1.511 56.317 54.840 -0.057 0.000 0.749 93 L CB -0.771 41.258 42.059 -0.050 0.000 0.901 93 L HN 0.415 nan 8.230 nan 0.000 0.433 94 A N -0.556 122.201 122.820 -0.105 0.000 1.902 94 A HA -0.245 4.077 4.320 0.002 0.000 0.217 94 A C 2.208 179.699 177.584 -0.156 0.000 1.181 94 A CA 1.490 53.427 52.037 -0.166 0.000 0.623 94 A CB -0.461 18.408 19.000 -0.219 0.000 0.818 94 A HN 0.465 nan 8.150 nan 0.000 0.443 95 Q N -0.904 118.830 119.800 -0.109 0.000 2.224 95 Q HA -0.048 4.294 4.340 0.002 0.000 0.203 95 Q C 2.147 178.116 176.000 -0.053 0.000 0.970 95 Q CA 1.122 56.883 55.803 -0.071 0.000 0.865 95 Q CB -0.289 28.415 28.738 -0.057 0.000 0.922 95 Q HN 0.684 nan 8.270 nan 0.000 0.445 96 A N -0.064 122.723 122.820 -0.055 0.000 2.206 96 A HA 0.030 4.351 4.320 0.002 0.000 0.211 96 A C 1.735 179.300 177.584 -0.032 0.000 1.158 96 A CA 0.495 52.509 52.037 -0.038 0.000 0.761 96 A CB -0.019 18.960 19.000 -0.036 0.000 0.801 96 A HN 0.230 nan 8.150 nan 0.000 0.473 97 L N -1.643 119.551 121.223 -0.048 0.000 2.349 97 L HA 0.017 4.358 4.340 0.002 0.000 0.200 97 L C 2.326 179.181 176.870 -0.024 0.000 1.064 97 L CA 0.389 55.204 54.840 -0.041 0.000 0.821 97 L CB -0.278 41.742 42.059 -0.065 0.000 1.027 97 L HN 0.169 nan 8.230 nan 0.000 0.476 98 V N 1.105 120.997 119.914 -0.036 0.000 2.295 98 V HA -0.272 3.849 4.120 0.002 0.000 0.246 98 V C 2.691 178.822 176.094 0.062 0.000 1.049 98 V CA 2.308 64.624 62.300 0.027 0.000 1.024 98 V CB -0.823 31.035 31.823 0.058 0.000 0.648 98 V HN 0.551 nan 8.190 nan 0.000 0.447 99 R N 0.275 120.800 120.500 0.040 0.000 2.066 99 R HA -0.140 4.202 4.340 0.002 0.000 0.232 99 R C 2.030 178.357 176.300 0.046 0.000 1.131 99 R CA 1.651 57.779 56.100 0.048 0.000 0.955 99 R CB -0.581 29.736 30.300 0.027 0.000 0.851 99 R HN 0.322 nan 8.270 nan 0.000 0.432 100 E N 0.612 120.828 120.200 0.027 0.000 2.338 100 E HA -0.061 4.290 4.350 0.002 0.000 0.197 100 E C 1.840 178.458 176.600 0.030 0.000 1.007 100 E CA 1.214 57.628 56.400 0.024 0.000 0.849 100 E CB 0.003 29.710 29.700 0.012 0.000 0.774 100 E HN 0.625 nan 8.360 nan 0.000 0.506 101 G N 0.382 109.204 108.800 0.037 0.000 2.408 101 G HA2 -0.130 3.831 3.960 0.002 0.000 0.213 101 G HA3 -0.130 3.831 3.960 0.002 0.000 0.213 101 G C 1.688 176.622 174.900 0.056 0.000 1.177 101 G CA 0.096 45.222 45.100 0.042 0.000 0.802 101 G HN 0.195 nan 8.290 nan 0.000 0.533 102 L N -0.062 121.207 121.223 0.077 0.000 2.093 102 L HA 0.008 4.350 4.340 0.002 0.000 0.208 102 L C 3.053 179.966 176.870 0.072 0.000 1.085 102 L CA 0.700 55.596 54.840 0.093 0.000 0.755 102 L CB -0.394 41.754 42.059 0.148 0.000 0.904 102 L HN 0.137 nan 8.230 nan 0.000 0.435 103 R N 0.106 120.645 120.500 0.064 0.000 2.159 103 R HA -0.122 4.220 4.340 0.002 0.000 0.237 103 R C 1.841 178.160 176.300 0.033 0.000 1.131 103 R CA 1.092 57.220 56.100 0.047 0.000 0.982 103 R CB -0.262 30.062 30.300 0.041 0.000 0.868 103 R HN 0.507 nan 8.270 nan 0.000 0.453 104 N N -0.203 118.517 118.700 0.032 0.000 2.409 104 N HA -0.036 4.705 4.740 0.002 0.000 0.174 104 N C 1.578 177.102 175.510 0.024 0.000 1.037 104 N CA 0.640 53.705 53.050 0.024 0.000 0.898 104 N CB 0.437 38.938 38.487 0.023 0.000 1.010 104 N HN 0.008 nan 8.380 nan 0.000 0.445 105 V N 1.501 121.434 119.914 0.031 0.000 2.809 105 V HA -0.045 4.077 4.120 0.002 0.000 0.256 105 V C 2.262 178.367 176.094 0.018 0.000 1.080 105 V CA 1.287 63.604 62.300 0.029 0.000 1.102 105 V CB -0.572 31.276 31.823 0.042 0.000 0.705 105 V HN 0.223 nan 8.190 nan 0.000 0.475 106 A N -0.043 122.788 122.820 0.017 0.000 2.119 106 A HA 0.225 4.546 4.320 0.002 0.000 0.216 106 A C 2.258 179.843 177.584 0.001 0.000 1.152 106 A CA 1.230 53.269 52.037 0.003 0.000 0.708 106 A CB -0.288 18.714 19.000 0.004 0.000 0.805 106 A HN 0.513 nan 8.150 nan 0.000 0.460 107 A N -1.469 121.356 122.820 0.007 0.000 2.169 107 A HA 0.412 4.733 4.320 0.002 0.000 0.212 107 A C 1.617 179.203 177.584 0.004 0.000 1.153 107 A CA 1.196 53.236 52.037 0.005 0.000 0.756 107 A CB -0.619 18.386 19.000 0.008 0.000 0.813 107 A HN 1.791 nan 8.150 nan 0.000 0.471 108 G N -1.997 106.806 108.800 0.005 0.000 2.167 108 G HA2 0.232 4.194 3.960 0.002 0.000 0.194 108 G HA3 0.232 4.194 3.960 0.002 0.000 0.194 108 G C 0.069 174.973 174.900 0.007 0.000 1.027 108 G CA 0.057 45.159 45.100 0.004 0.000 0.717 108 G HN 1.473 nan 8.290 nan 0.000 0.501 109 A N 0.375 123.202 122.820 0.011 0.000 2.260 109 A HA 0.681 5.002 4.320 0.002 0.000 0.314 109 A C 0.540 178.133 177.584 0.015 0.000 1.257 109 A CA -0.358 51.687 52.037 0.013 0.000 0.871 109 A CB 0.506 19.514 19.000 0.014 0.000 1.166 109 A HN 0.537 nan 8.150 nan 0.000 0.522 110 N N 3.132 121.840 118.700 0.014 0.000 2.412 110 N HA 0.028 4.769 4.740 0.002 0.000 0.258 110 N C -1.728 173.794 175.510 0.020 0.000 1.236 110 N CA -1.003 52.056 53.050 0.016 0.000 0.882 110 N CB 1.108 39.603 38.487 0.013 0.000 1.066 110 N HN 0.228 nan 8.380 nan 0.000 0.465 111 P HA -0.108 nan 4.420 nan 0.000 0.215 111 P C 1.364 178.680 177.300 0.027 0.000 1.157 111 P CA 1.227 64.345 63.100 0.031 0.000 0.868 111 P CB 0.185 31.908 31.700 0.038 0.000 0.788 112 L N -1.754 119.483 121.223 0.023 0.000 2.353 112 L HA -0.061 4.281 4.340 0.002 0.000 0.220 112 L C 2.401 179.280 176.870 0.016 0.000 1.133 112 L CA 1.376 56.228 54.840 0.019 0.000 0.798 112 L CB -1.270 40.799 42.059 0.017 0.000 0.922 112 L HN 0.109 nan 8.230 nan 0.000 0.445 113 G N 0.021 108.831 108.800 0.016 0.000 2.411 113 G HA2 -0.040 3.921 3.960 0.002 0.000 0.213 113 G HA3 -0.040 3.921 3.960 0.002 0.000 0.213 113 G C 1.592 176.500 174.900 0.013 0.000 1.166 113 G CA 0.043 45.151 45.100 0.013 0.000 0.802 113 G HN 0.199 nan 8.290 nan 0.000 0.533 114 L N 0.191 121.423 121.223 0.016 0.000 2.072 114 L HA 0.071 4.413 4.340 0.002 0.000 0.205 114 L C 2.717 179.595 176.870 0.014 0.000 1.079 114 L CA 1.193 56.042 54.840 0.016 0.000 0.752 114 L CB -0.400 41.672 42.059 0.020 0.000 0.906 114 L HN 0.158 nan 8.230 nan 0.000 0.436 115 K N 0.810 121.220 120.400 0.017 0.000 2.032 115 K HA -0.241 4.081 4.320 0.002 0.000 0.209 115 K C 2.344 178.950 176.600 0.010 0.000 1.048 115 K CA 1.602 57.898 56.287 0.015 0.000 0.927 115 K CB -0.040 32.472 32.500 0.021 0.000 0.712 115 K HN 0.083 nan 8.250 nan 0.000 0.441 116 R N -0.662 119.845 120.500 0.011 0.000 2.127 116 R HA -0.101 4.240 4.340 0.002 0.000 0.238 116 R C 2.221 178.525 176.300 0.006 0.000 1.134 116 R CA 1.534 57.639 56.100 0.008 0.000 0.975 116 R CB -0.286 30.019 30.300 0.009 0.000 0.865 116 R HN 0.421 nan 8.270 nan 0.000 0.447 117 G N -0.276 108.528 108.800 0.007 0.000 2.494 117 G HA2 -0.106 3.855 3.960 0.002 0.000 0.216 117 G HA3 -0.106 3.855 3.960 0.002 0.000 0.216 117 G C 1.316 176.218 174.900 0.003 0.000 1.140 117 G CA 0.141 45.244 45.100 0.005 0.000 0.801 117 G HN 0.184 nan 8.290 nan 0.000 0.536 118 I N 0.394 120.966 120.570 0.002 0.000 2.277 118 I HA -0.054 4.118 4.170 0.002 0.000 0.243 118 I C 2.655 178.770 176.117 -0.004 0.000 1.094 118 I CA 0.853 62.152 61.300 -0.002 0.000 1.393 118 I CB -0.249 37.748 38.000 -0.005 0.000 1.078 118 I HN 0.175 nan 8.210 nan 0.000 0.417 119 E N 1.459 121.658 120.200 -0.002 0.000 2.021 119 E HA -0.276 4.075 4.350 0.002 0.000 0.200 119 E C 2.164 178.763 176.600 -0.002 0.000 1.015 119 E CA 1.533 57.931 56.400 -0.002 0.000 0.824 119 E CB -0.174 29.526 29.700 0.001 0.000 0.762 119 E HN 0.423 nan 8.360 nan 0.000 0.454 120 K N 0.383 120.783 120.400 0.000 0.000 2.113 120 K HA -0.167 4.155 4.320 0.002 0.000 0.208 120 K C 2.218 178.818 176.600 -0.000 0.000 1.047 120 K CA 1.163 57.450 56.287 0.001 0.000 0.928 120 K CB -0.218 32.283 32.500 0.002 0.000 0.716 120 K HN 0.092 nan 8.250 nan 0.000 0.446 121 A N 1.126 123.946 122.820 -0.001 0.000 1.933 121 A HA -0.102 4.220 4.320 0.002 0.000 0.218 121 A C 2.410 179.992 177.584 -0.003 0.000 1.175 121 A CA 1.250 53.286 52.037 -0.001 0.000 0.628 121 A CB -0.527 18.472 19.000 -0.001 0.000 0.814 121 A HN 0.074 nan 8.150 nan 0.000 0.444 122 V N 0.090 120.001 119.914 -0.005 0.000 2.307 122 V HA -0.259 3.862 4.120 0.002 0.000 0.245 122 V C 2.379 178.470 176.094 -0.005 0.000 1.045 122 V CA 2.206 64.501 62.300 -0.007 0.000 1.024 122 V CB -0.814 31.002 31.823 -0.010 0.000 0.651 122 V HN 0.646 nan 8.190 nan 0.000 0.449 123 E N -0.002 120.196 120.200 -0.004 0.000 2.048 123 E HA -0.359 3.993 4.350 0.002 0.000 0.202 123 E C 2.253 178.852 176.600 -0.002 0.000 1.021 123 E CA 1.946 58.345 56.400 -0.002 0.000 0.825 123 E CB -0.255 29.445 29.700 -0.001 0.000 0.756 123 E HN 0.328 nan 8.360 nan 0.000 0.454 124 K N 0.817 121.216 120.400 -0.001 0.000 2.032 124 K HA -0.148 4.173 4.320 0.002 0.000 0.209 124 K C 1.971 178.571 176.600 -0.000 0.000 1.048 124 K CA 1.141 57.428 56.287 -0.000 0.000 0.927 124 K CB -0.540 31.960 32.500 0.001 0.000 0.712 124 K HN -0.014 nan 8.250 nan 0.000 0.441 125 V N 0.478 120.391 119.914 -0.001 0.000 2.568 125 V HA -0.248 3.874 4.120 0.002 0.000 0.253 125 V C 2.054 178.146 176.094 -0.002 0.000 1.072 125 V CA 2.225 64.524 62.300 -0.002 0.000 1.084 125 V CB -0.691 31.130 31.823 -0.003 0.000 0.676 125 V HN 0.443 nan 8.190 nan 0.000 0.469 126 T N -0.347 114.205 114.554 -0.003 0.000 2.770 126 T HA -0.149 4.202 4.350 0.002 0.000 0.263 126 T C 1.819 176.518 174.700 -0.003 0.000 1.039 126 T CA 1.531 63.629 62.100 -0.004 0.000 1.142 126 T CB -0.161 68.704 68.868 -0.005 0.000 0.868 126 T HN 0.610 nan 8.240 nan 0.000 0.435 127 E N 0.600 120.799 120.200 -0.001 0.000 2.118 127 E HA -0.119 4.232 4.350 0.002 0.000 0.195 127 E C 2.327 178.927 176.600 0.000 0.000 0.992 127 E CA 1.413 57.813 56.400 -0.000 0.000 0.804 127 E CB -0.249 29.451 29.700 0.000 0.000 0.741 127 E HN 0.342 nan 8.360 nan 0.000 0.458 128 T N 1.228 115.783 114.554 0.001 0.000 2.803 128 T HA -0.113 4.238 4.350 0.002 0.000 0.269 128 T C 1.809 176.510 174.700 0.002 0.000 1.052 128 T CA 0.824 62.925 62.100 0.002 0.000 1.136 128 T CB -0.054 68.816 68.868 0.003 0.000 0.864 128 T HN 0.110 nan 8.240 nan 0.000 0.467 129 L N 0.010 121.233 121.223 -0.000 0.000 2.162 129 L HA 0.167 4.508 4.340 0.002 0.000 0.205 129 L C 2.181 179.049 176.870 -0.003 0.000 1.086 129 L CA 0.765 55.603 54.840 -0.002 0.000 0.778 129 L CB -0.372 41.685 42.059 -0.004 0.000 0.928 129 L HN 0.233 nan 8.230 nan 0.000 0.446 130 L N -0.450 120.771 121.223 -0.003 0.000 2.478 130 L HA -0.097 4.244 4.340 0.002 0.000 0.223 130 L C 2.271 179.140 176.870 -0.002 0.000 1.140 130 L CA 0.801 55.639 54.840 -0.003 0.000 0.842 130 L CB -0.230 41.828 42.059 -0.003 0.000 0.953 130 L HN 0.236 nan 8.230 nan 0.000 0.452 131 K N -0.227 120.173 120.400 -0.000 0.000 2.214 131 K HA 0.110 4.431 4.320 0.002 0.000 0.201 131 K C 1.712 178.313 176.600 0.002 0.000 1.049 131 K CA 0.730 57.017 56.287 0.001 0.000 0.978 131 K CB 0.073 32.575 32.500 0.002 0.000 0.842 131 K HN 0.220 nan 8.250 nan 0.000 0.474 132 G N 1.273 110.075 108.800 0.003 0.000 3.332 132 G HA2 0.204 4.166 3.960 0.002 0.000 0.242 132 G HA3 0.204 4.166 3.960 0.002 0.000 0.242 132 G C -0.033 174.868 174.900 0.001 0.000 1.276 132 G CA -0.167 44.936 45.100 0.004 0.000 0.988 132 G HN 0.200 nan 8.290 nan 0.000 0.517 133 A N 0.477 123.296 122.820 -0.002 0.000 2.328 133 A HA 0.654 4.975 4.320 0.002 0.000 0.284 133 A C -0.014 177.567 177.584 -0.006 0.000 1.160 133 A CA -0.550 51.484 52.037 -0.005 0.000 0.818 133 A CB 0.699 19.695 19.000 -0.006 0.000 1.087 133 A HN 0.178 nan 8.150 nan 0.000 0.504 134 K N 2.659 123.054 120.400 -0.009 0.000 2.316 134 K HA 0.239 4.560 4.320 0.002 0.000 0.289 134 K C 0.217 176.811 176.600 -0.011 0.000 1.070 134 K CA -0.104 56.177 56.287 -0.010 0.000 0.928 134 K CB 0.531 33.023 32.500 -0.014 0.000 1.039 134 K HN 0.674 nan 8.250 nan 0.000 0.480 135 E N 1.187 121.381 120.200 -0.009 0.000 2.438 135 E HA 0.033 4.385 4.350 0.002 0.000 0.261 135 E C -0.444 176.150 176.600 -0.011 0.000 1.103 135 E CA 0.205 56.599 56.400 -0.009 0.000 0.959 135 E CB 0.789 30.485 29.700 -0.008 0.000 0.958 135 E HN 0.142 nan 8.360 nan 0.000 0.447 136 V N 2.241 122.148 119.914 -0.012 0.000 2.567 136 V HA 0.169 4.291 4.120 0.002 0.000 0.298 136 V C 0.346 176.433 176.094 -0.012 0.000 1.047 136 V CA -0.376 61.916 62.300 -0.013 0.000 0.880 136 V CB 1.543 33.357 31.823 -0.016 0.000 1.009 136 V HN 0.676 nan 8.190 nan 0.000 0.429 137 E N 1.166 121.359 120.200 -0.012 0.000 2.684 137 E HA 0.080 4.432 4.350 0.002 0.000 0.204 137 E C 0.668 177.261 176.600 -0.011 0.000 0.900 137 E CA 0.326 56.719 56.400 -0.011 0.000 1.481 137 E CB 0.658 30.353 29.700 -0.009 0.000 1.468 137 E HN 0.768 nan 8.360 nan 0.000 0.778 138 T N 0.300 114.848 114.554 -0.011 0.000 2.926 138 T HA 0.086 4.437 4.350 0.002 0.000 0.307 138 T C 0.779 175.472 174.700 -0.012 0.000 1.059 138 T CA -0.155 61.939 62.100 -0.011 0.000 1.122 138 T CB 1.588 70.450 68.868 -0.010 0.000 0.972 138 T HN -0.011 nan 8.240 nan 0.000 0.545 139 K N 0.771 121.164 120.400 -0.012 0.000 2.519 139 K HA -0.122 4.199 4.320 0.002 0.000 0.196 139 K C 1.604 178.196 176.600 -0.014 0.000 1.041 139 K CA 0.976 57.256 56.287 -0.013 0.000 0.954 139 K CB 0.091 32.584 32.500 -0.012 0.000 0.774 139 K HN 0.662 nan 8.250 nan 0.000 0.480 140 E N 0.332 120.524 120.200 -0.013 0.000 2.045 140 E HA -0.131 4.220 4.350 0.002 0.000 0.190 140 E C 1.974 178.564 176.600 -0.015 0.000 0.968 140 E CA 0.871 57.263 56.400 -0.014 0.000 0.813 140 E CB -0.329 29.363 29.700 -0.012 0.000 0.780 140 E HN 0.407 nan 8.360 nan 0.000 0.455 141 Q N 0.891 120.681 119.800 -0.015 0.000 2.061 141 Q HA -0.088 4.253 4.340 0.002 0.000 0.204 141 Q C 2.477 178.466 176.000 -0.019 0.000 0.984 141 Q CA 1.359 57.152 55.803 -0.017 0.000 0.846 141 Q CB -0.290 28.438 28.738 -0.016 0.000 0.902 141 Q HN 0.250 nan 8.270 nan 0.000 0.421 142 I N 0.844 121.403 120.570 -0.018 0.000 2.127 142 I HA -0.325 3.847 4.170 0.002 0.000 0.241 142 I C 2.506 178.610 176.117 -0.022 0.000 1.075 142 I CA 1.087 62.375 61.300 -0.020 0.000 1.334 142 I CB -0.663 37.326 38.000 -0.019 0.000 1.040 142 I HN 0.199 nan 8.210 nan 0.000 0.405 143 A N 0.904 123.712 122.820 -0.021 0.000 1.948 143 A HA -0.245 4.076 4.320 0.002 0.000 0.220 143 A C 2.552 180.122 177.584 -0.024 0.000 1.177 143 A CA 2.228 54.252 52.037 -0.022 0.000 0.636 143 A CB -0.878 18.110 19.000 -0.020 0.000 0.815 143 A HN 0.493 nan 8.150 nan 0.000 0.449 144 A N -1.028 121.778 122.820 -0.023 0.000 1.858 144 A HA -0.090 4.231 4.320 0.002 0.000 0.216 144 A C 2.335 179.903 177.584 -0.027 0.000 1.190 144 A CA 2.394 54.417 52.037 -0.024 0.000 0.617 144 A CB -1.437 17.549 19.000 -0.023 0.000 0.827 144 A HN 0.451 nan 8.150 nan 0.000 0.443 145 T N 0.631 115.169 114.554 -0.027 0.000 2.580 145 T HA -0.149 4.202 4.350 0.002 0.000 0.265 145 T C 2.248 176.929 174.700 -0.033 0.000 1.063 145 T CA 2.287 64.370 62.100 -0.029 0.000 1.170 145 T CB -0.828 68.023 68.868 -0.028 0.000 0.863 145 T HN 0.684 nan 8.240 nan 0.000 0.418 146 A N 1.603 124.404 122.820 -0.033 0.000 1.940 146 A HA -0.089 4.233 4.320 0.002 0.000 0.221 146 A C 2.626 180.187 177.584 -0.038 0.000 1.190 146 A CA 2.392 54.407 52.037 -0.036 0.000 0.647 146 A CB -1.236 17.744 19.000 -0.034 0.000 0.821 146 A HN 0.593 nan 8.150 nan 0.000 0.457 147 A N -0.597 122.203 122.820 -0.034 0.000 1.969 147 A HA 0.017 4.339 4.320 0.002 0.000 0.218 147 A C 2.075 179.639 177.584 -0.034 0.000 1.169 147 A CA 1.338 53.355 52.037 -0.033 0.000 0.635 147 A CB -0.511 18.472 19.000 -0.028 0.000 0.810 147 A HN 0.531 nan 8.150 nan 0.000 0.445 148 I N -0.952 119.598 120.570 -0.034 0.000 2.060 148 I HA -0.240 3.932 4.170 0.002 0.000 0.233 148 I C 2.833 178.928 176.117 -0.038 0.000 1.054 148 I CA 1.632 62.911 61.300 -0.034 0.000 1.318 148 I CB -0.555 37.425 38.000 -0.033 0.000 1.054 148 I HN 0.396 nan 8.210 nan 0.000 0.395 149 S N 0.637 116.311 115.700 -0.043 0.000 2.392 149 S HA -0.272 4.200 4.470 0.002 0.000 0.232 149 S C 2.115 176.681 174.600 -0.056 0.000 1.041 149 S CA 1.675 59.844 58.200 -0.052 0.000 1.026 149 S CB -0.402 62.762 63.200 -0.060 0.000 0.845 149 S HN 0.478 nan 8.310 nan 0.000 0.465 150 A N 0.244 123.032 122.820 -0.053 0.000 2.019 150 A HA 0.318 4.640 4.320 0.002 0.000 0.219 150 A C 1.903 179.460 177.584 -0.044 0.000 1.164 150 A CA 1.324 53.330 52.037 -0.052 0.000 0.644 150 A CB -1.549 17.421 19.000 -0.049 0.000 0.805 150 A HN 1.622 nan 8.150 nan 0.000 0.449 151 G N -0.941 107.836 108.800 -0.038 0.000 2.295 151 G HA2 -0.151 3.810 3.960 0.002 0.000 0.287 151 G HA3 -0.151 3.810 3.960 0.002 0.000 0.287 151 G C -0.261 174.620 174.900 -0.031 0.000 1.055 151 G CA 0.666 45.746 45.100 -0.032 0.000 0.922 151 G HN 0.859 nan 8.290 nan 0.000 0.503 152 D N -1.922 118.458 120.400 -0.033 0.000 2.766 152 D HA 0.168 4.809 4.640 0.002 0.000 0.244 152 D C 0.585 176.865 176.300 -0.032 0.000 1.198 152 D CA -0.474 53.505 54.000 -0.033 0.000 0.739 152 D CB 0.438 41.214 40.800 -0.041 0.000 1.379 152 D HN 0.050 nan 8.370 nan 0.000 0.437 153 Q N 0.247 120.029 119.800 -0.030 0.000 2.394 153 Q HA 0.087 4.428 4.340 0.002 0.000 0.218 153 Q C 1.316 177.298 176.000 -0.030 0.000 0.907 153 Q CA 0.341 56.128 55.803 -0.027 0.000 0.919 153 Q CB 0.347 29.072 28.738 -0.022 0.000 1.051 153 Q HN 0.401 nan 8.270 nan 0.000 0.538 154 S N 0.692 116.372 115.700 -0.034 0.000 2.419 154 S HA -0.074 4.397 4.470 0.002 0.000 0.233 154 S C 1.723 176.298 174.600 -0.042 0.000 1.016 154 S CA 0.855 59.032 58.200 -0.039 0.000 0.974 154 S CB -0.035 63.135 63.200 -0.050 0.000 0.786 154 S HN 0.356 nan 8.310 nan 0.000 0.492 155 I N 1.160 121.704 120.570 -0.043 0.000 2.494 155 I HA 0.060 4.232 4.170 0.002 0.000 0.250 155 I C 2.730 178.825 176.117 -0.038 0.000 1.112 155 I CA 0.783 62.056 61.300 -0.043 0.000 1.438 155 I CB -0.872 37.100 38.000 -0.047 0.000 1.111 155 I HN 0.341 nan 8.210 nan 0.000 0.431 156 G N 0.764 109.543 108.800 -0.035 0.000 2.422 156 G HA2 -0.216 3.746 3.960 0.002 0.000 0.218 156 G HA3 -0.216 3.746 3.960 0.002 0.000 0.218 156 G C 1.286 176.170 174.900 -0.028 0.000 1.146 156 G CA 0.884 45.965 45.100 -0.031 0.000 0.769 156 G HN 0.274 nan 8.290 nan 0.000 0.547 157 D N -0.034 120.350 120.400 -0.026 0.000 2.123 157 D HA -0.042 4.599 4.640 0.002 0.000 0.200 157 D C 2.399 178.685 176.300 -0.023 0.000 0.976 157 D CA 0.416 54.402 54.000 -0.023 0.000 0.831 157 D CB -0.073 40.715 40.800 -0.021 0.000 0.974 157 D HN 0.200 nan 8.370 nan 0.000 0.469 158 L N 1.082 122.289 121.223 -0.026 0.000 2.093 158 L HA -0.030 4.311 4.340 0.002 0.000 0.208 158 L C 2.134 178.989 176.870 -0.026 0.000 1.085 158 L CA 1.094 55.918 54.840 -0.026 0.000 0.755 158 L CB -0.335 41.705 42.059 -0.031 0.000 0.904 158 L HN -0.038 nan 8.230 nan 0.000 0.435 159 I N -1.005 119.548 120.570 -0.028 0.000 2.439 159 I HA -0.178 3.993 4.170 0.002 0.000 0.251 159 I C 2.366 178.468 176.117 -0.024 0.000 1.139 159 I CA 0.906 62.189 61.300 -0.028 0.000 1.438 159 I CB -0.419 37.562 38.000 -0.032 0.000 1.085 159 I HN 0.272 nan 8.210 nan 0.000 0.427 160 A N 0.090 122.896 122.820 -0.023 0.000 2.016 160 A HA -0.160 4.161 4.320 0.002 0.000 0.217 160 A C 2.161 179.735 177.584 -0.018 0.000 1.162 160 A CA 1.278 53.303 52.037 -0.020 0.000 0.662 160 A CB -0.254 18.734 19.000 -0.019 0.000 0.812 160 A HN 0.303 nan 8.150 nan 0.000 0.450 161 E N 0.299 120.489 120.200 -0.018 0.000 2.112 161 E HA 0.083 4.434 4.350 0.002 0.000 0.190 161 E C 2.011 178.601 176.600 -0.016 0.000 0.979 161 E CA 1.221 57.612 56.400 -0.016 0.000 0.814 161 E CB -0.397 29.294 29.700 -0.015 0.000 0.762 161 E HN 0.426 nan 8.360 nan 0.000 0.460 162 A N 0.351 123.161 122.820 -0.018 0.000 1.902 162 A HA -0.144 4.178 4.320 0.002 0.000 0.217 162 A C 2.222 179.796 177.584 -0.017 0.000 1.181 162 A CA 1.694 53.720 52.037 -0.017 0.000 0.623 162 A CB -0.472 18.516 19.000 -0.020 0.000 0.818 162 A HN 0.316 nan 8.150 nan 0.000 0.443 163 M N -0.942 118.647 119.600 -0.017 0.000 2.419 163 M HA -0.073 4.409 4.480 0.002 0.000 0.264 163 M C 1.685 177.976 176.300 -0.014 0.000 1.082 163 M CA 1.280 56.571 55.300 -0.017 0.000 1.119 163 M CB -0.330 32.260 32.600 -0.018 0.000 1.398 163 M HN 0.412 nan 8.290 nan 0.000 0.453 164 D N 1.007 121.399 120.400 -0.014 0.000 2.117 164 D HA -0.124 4.517 4.640 0.002 0.000 0.198 164 D C 1.886 178.180 176.300 -0.011 0.000 0.982 164 D CA 1.291 55.283 54.000 -0.012 0.000 0.828 164 D CB 0.277 41.070 40.800 -0.012 0.000 0.967 164 D HN 0.104 nan 8.370 nan 0.000 0.464 165 K N 0.141 120.535 120.400 -0.011 0.000 1.992 165 K HA 0.010 4.332 4.320 0.002 0.000 0.210 165 K C 2.318 178.911 176.600 -0.010 0.000 1.036 165 K CA 0.728 57.009 56.287 -0.010 0.000 0.946 165 K CB -1.002 31.492 32.500 -0.010 0.000 0.742 165 K HN 0.066 nan 8.250 nan 0.000 0.442 166 V N 0.560 120.468 119.914 -0.011 0.000 2.490 166 V HA -0.079 4.043 4.120 0.002 0.000 0.250 166 V C 1.217 177.304 176.094 -0.012 0.000 1.061 166 V CA 1.223 63.517 62.300 -0.011 0.000 1.064 166 V CB -1.109 30.706 31.823 -0.013 0.000 0.670 166 V HN 0.688 nan 8.190 nan 0.000 0.461 167 G N -0.584 108.208 108.800 -0.012 0.000 2.539 167 G HA2 -0.167 3.794 3.960 0.002 0.000 0.686 167 G HA3 -0.167 3.794 3.960 0.002 0.000 0.686 167 G C -0.030 174.861 174.900 -0.014 0.000 1.258 167 G CA 0.042 45.135 45.100 -0.013 0.000 0.846 167 G HN 0.165 nan 8.290 nan 0.000 0.647 168 N N -0.101 118.591 118.700 -0.014 0.000 2.061 168 N HA -0.119 4.622 4.740 0.002 0.000 0.193 168 N C 1.365 176.865 175.510 -0.016 0.000 1.030 168 N CA 1.578 54.619 53.050 -0.015 0.000 0.856 168 N CB 0.018 38.496 38.487 -0.014 0.000 1.023 168 N HN 0.665 nan 8.380 nan 0.000 0.424 169 E N 0.716 120.907 120.200 -0.015 0.000 2.335 169 E HA 0.096 4.447 4.350 0.002 0.000 0.191 169 E C 0.494 177.084 176.600 -0.016 0.000 1.077 169 E CA -0.440 55.951 56.400 -0.016 0.000 1.010 169 E CB 0.399 30.090 29.700 -0.015 0.000 1.141 169 E HN 0.276 nan 8.360 nan 0.000 0.452 170 G N 0.382 109.172 108.800 -0.016 0.000 2.557 170 G HA2 0.263 4.224 3.960 0.002 0.000 0.292 170 G HA3 0.263 4.224 3.960 0.002 0.000 0.292 170 G C -0.047 174.843 174.900 -0.018 0.000 1.237 170 G CA -0.528 44.562 45.100 -0.015 0.000 0.978 170 G HN 0.039 nan 8.290 nan 0.000 0.498 171 V N 1.110 121.014 119.914 -0.017 0.000 2.304 171 V HA 0.250 4.371 4.120 0.002 0.000 0.262 171 V C 0.084 176.165 176.094 -0.022 0.000 1.061 171 V CA -0.176 62.111 62.300 -0.021 0.000 0.872 171 V CB 0.151 31.961 31.823 -0.022 0.000 1.077 171 V HN 0.404 nan 8.190 nan 0.000 0.480 172 I N 4.075 124.631 120.570 -0.023 0.000 2.315 172 I HA 0.326 4.498 4.170 0.002 0.000 0.291 172 I C 0.423 176.526 176.117 -0.023 0.000 1.006 172 I CA 0.228 61.514 61.300 -0.022 0.000 1.265 172 I CB 1.471 39.458 38.000 -0.023 0.000 1.387 172 I HN 0.442 nan 8.210 nan 0.000 0.475 173 T N 6.060 120.601 114.554 -0.022 0.000 2.770 173 T HA 0.430 4.782 4.350 0.002 0.000 0.283 173 T C -0.141 174.548 174.700 -0.018 0.000 0.988 173 T CA -0.400 61.688 62.100 -0.021 0.000 0.957 173 T CB 1.487 70.342 68.868 -0.023 0.000 0.930 173 T HN 0.136 nan 8.240 nan 0.000 0.443 174 V N 4.703 124.609 119.914 -0.014 0.000 2.532 174 V HA 0.588 4.709 4.120 0.002 0.000 0.295 174 V C -0.024 176.065 176.094 -0.008 0.000 1.041 174 V CA -0.725 61.568 62.300 -0.012 0.000 0.926 174 V CB 1.417 33.235 31.823 -0.009 0.000 0.992 174 V HN 0.981 nan 8.190 nan 0.000 0.457 175 E N 2.540 122.734 120.200 -0.011 0.000 2.321 175 E HA 0.472 4.824 4.350 0.002 0.000 0.278 175 E C -1.133 175.461 176.600 -0.010 0.000 0.902 175 E CA -0.983 55.412 56.400 -0.009 0.000 0.758 175 E CB 1.877 31.570 29.700 -0.012 0.000 1.213 175 E HN 0.792 nan 8.360 nan 0.000 0.426 176 E N 2.194 122.390 120.200 -0.007 0.000 2.324 176 E HA 0.310 4.661 4.350 0.002 0.000 0.271 176 E C -0.621 175.975 176.600 -0.006 0.000 1.028 176 E CA -0.493 55.903 56.400 -0.007 0.000 0.890 176 E CB 1.389 31.087 29.700 -0.003 0.000 1.004 176 E HN 0.320 nan 8.360 nan 0.000 0.431 177 S N 1.379 117.075 115.700 -0.006 0.000 2.726 177 S HA 0.181 4.653 4.470 0.002 0.000 0.308 177 S C 0.534 175.140 174.600 0.011 0.000 1.115 177 S CA -0.550 57.651 58.200 0.000 0.000 0.965 177 S CB 0.912 64.111 63.200 -0.001 0.000 1.145 177 S HN 0.739 nan 8.310 nan 0.000 0.532 178 N N 0.258 118.969 118.700 0.018 0.000 2.416 178 N HA 0.002 4.743 4.740 0.002 0.000 0.177 178 N C 0.715 176.256 175.510 0.052 0.000 1.036 178 N CA 0.769 53.837 53.050 0.030 0.000 0.901 178 N CB -0.984 37.518 38.487 0.024 0.000 0.976 178 N HN 0.587 nan 8.380 nan 0.000 0.444 179 T N -3.092 111.491 114.554 0.049 0.000 2.802 179 T HA 0.064 4.415 4.350 0.002 0.000 0.305 179 T C 0.678 175.450 174.700 0.119 0.000 1.053 179 T CA -0.618 61.529 62.100 0.079 0.000 1.058 179 T CB 0.439 69.339 68.868 0.053 0.000 0.988 179 T HN 0.107 nan 8.240 nan 0.000 0.539 180 F N 1.340 121.288 119.950 -0.003 0.000 2.147 180 F HA 0.367 4.896 4.527 0.002 0.000 0.291 180 F C 1.448 177.246 175.800 -0.003 0.000 1.093 180 F CA 0.776 58.774 58.000 -0.003 0.000 1.263 180 F CB -0.718 38.280 39.000 -0.003 0.000 1.036 180 F HN 0.831 nan 8.300 nan 0.000 0.481 181 G N 0.861 109.598 108.800 -0.104 0.000 2.400 181 G HA2 0.449 4.410 3.960 0.002 0.000 0.301 181 G HA3 0.449 4.410 3.960 0.002 0.000 0.301 181 G C -1.297 173.531 174.900 -0.121 0.000 1.154 181 G CA -0.657 44.321 45.100 -0.204 0.000 0.852 181 G HN 0.098 nan 8.290 nan 0.000 0.511 182 L N 1.290 122.432 121.223 -0.134 0.000 2.584 182 L HA 0.066 4.407 4.340 0.002 0.000 0.272 182 L C 0.959 177.799 176.870 -0.049 0.000 1.195 182 L CA 0.954 55.743 54.840 -0.085 0.000 0.920 182 L CB 0.120 42.129 42.059 -0.083 0.000 1.173 182 L HN 0.503 nan 8.230 nan 0.000 0.489 183 Q N 2.776 122.555 119.800 -0.036 0.000 2.266 183 Q HA 0.680 5.022 4.340 0.002 0.000 0.261 183 Q C -1.020 174.968 176.000 -0.021 0.000 0.985 183 Q CA -1.065 54.725 55.803 -0.022 0.000 0.873 183 Q CB 2.625 31.355 28.738 -0.013 0.000 1.306 183 Q HN 0.379 nan 8.270 nan 0.000 0.447 184 L N 0.914 122.127 121.223 -0.017 0.000 2.342 184 L HA 0.548 4.890 4.340 0.002 0.000 0.271 184 L C -1.317 175.546 176.870 -0.013 0.000 1.008 184 L CA -0.184 54.646 54.840 -0.016 0.000 0.818 184 L CB 2.017 44.066 42.059 -0.016 0.000 1.296 184 L HN 0.774 nan 8.230 nan 0.000 0.427 185 E N 3.595 123.788 120.200 -0.013 0.000 2.307 185 E HA 0.416 4.768 4.350 0.002 0.000 0.280 185 E C -1.957 174.636 176.600 -0.011 0.000 0.900 185 E CA -0.441 55.952 56.400 -0.011 0.000 0.790 185 E CB 1.124 30.818 29.700 -0.010 0.000 1.261 185 E HN 0.654 nan 8.360 nan 0.000 0.405 186 L N 3.726 124.943 121.223 -0.009 0.000 2.272 186 L HA 0.476 4.818 4.340 0.002 0.000 0.284 186 L C 0.286 177.152 176.870 -0.008 0.000 1.045 186 L CA -0.536 54.298 54.840 -0.009 0.000 0.842 186 L CB 1.195 43.248 42.059 -0.008 0.000 1.224 186 L HN 0.420 nan 8.230 nan 0.000 0.430 187 T N 0.742 115.292 114.554 -0.008 0.000 2.927 187 T HA 0.343 4.694 4.350 0.002 0.000 0.286 187 T C -0.226 174.471 174.700 -0.005 0.000 1.040 187 T CA -0.655 61.441 62.100 -0.007 0.000 1.010 187 T CB 1.404 70.267 68.868 -0.009 0.000 1.177 187 T HN 0.469 nan 8.240 nan 0.000 0.546 188 E N 0.796 120.994 120.200 -0.003 0.000 2.324 188 E HA 0.513 4.865 4.350 0.002 0.000 0.271 188 E C 0.222 176.823 176.600 0.002 0.000 1.028 188 E CA 0.013 56.413 56.400 -0.000 0.000 0.890 188 E CB 0.957 30.657 29.700 0.001 0.000 1.004 188 E HN 0.866 nan 8.360 nan 0.000 0.431 189 G N 1.358 110.161 108.800 0.006 0.000 2.451 189 G HA2 0.505 4.467 3.960 0.002 0.000 0.292 189 G HA3 0.505 4.467 3.960 0.002 0.000 0.292 189 G C -1.363 173.549 174.900 0.019 0.000 1.427 189 G CA -0.698 44.408 45.100 0.010 0.000 0.792 189 G HN 0.397 nan 8.290 nan 0.000 0.498 190 M N -0.369 119.249 119.600 0.031 0.000 2.644 190 M HA 0.798 5.279 4.480 0.002 0.000 0.273 190 M C -1.675 174.652 176.300 0.045 0.000 1.253 190 M CA -0.946 54.387 55.300 0.056 0.000 0.852 190 M CB 2.775 35.434 32.600 0.099 0.000 1.708 190 M HN 0.784 nan 8.290 nan 0.000 0.471 191 R N 2.509 123.041 120.500 0.053 0.000 2.548 191 R HA 0.650 4.991 4.340 0.002 0.000 0.280 191 R C -2.179 174.151 176.300 0.049 0.000 1.061 191 R CA -0.449 55.626 56.100 -0.042 0.000 0.915 191 R CB 1.410 31.663 30.300 -0.079 0.000 1.210 191 R HN 0.606 nan 8.270 nan 0.000 0.442 192 F N 0.593 120.523 119.950 -0.034 0.000 2.618 192 F HA 0.485 5.016 4.527 0.007 0.000 0.332 192 F C -0.185 175.586 175.800 -0.048 0.000 1.061 192 F CA -1.336 56.639 58.000 -0.042 0.000 0.974 192 F CB 0.914 39.889 39.000 -0.041 0.000 1.310 192 F HN 0.436 nan 8.300 nan 0.000 0.491 193 D N 1.104 121.610 120.400 0.177 0.000 2.688 193 D HA 0.205 4.847 4.640 0.002 0.000 0.228 193 D C -0.817 175.539 176.300 0.093 0.000 1.116 193 D CA -0.130 53.903 54.000 0.056 0.000 1.023 193 D CB -0.088 40.726 40.800 0.023 0.000 1.100 193 D HN 0.357 nan 8.370 nan 0.000 0.487 194 K N 0.842 121.273 120.400 0.052 0.000 2.589 194 K HA 0.463 4.784 4.320 0.002 0.000 0.253 194 K C 0.072 176.625 176.600 -0.077 0.000 0.974 194 K CA -0.613 55.722 56.287 0.082 0.000 0.835 194 K CB 2.224 34.931 32.500 0.346 0.000 1.272 194 K HN 0.342 nan 8.250 nan 0.000 0.444 195 G N 1.070 109.790 108.800 -0.134 0.000 2.525 195 G HA2 0.379 4.341 3.960 0.002 0.000 0.287 195 G HA3 0.379 4.341 3.960 0.002 0.000 0.287 195 G C -0.503 174.282 174.900 -0.192 0.000 1.350 195 G CA -0.390 44.535 45.100 -0.292 0.000 1.039 195 G HN 0.449 nan 8.290 nan 0.000 0.513 196 Y N -1.331 118.995 120.300 0.044 0.000 2.397 196 Y HA 0.392 4.943 4.550 0.002 0.000 0.335 196 Y C 1.477 177.470 175.900 0.155 0.000 1.213 196 Y CA -1.264 56.887 58.100 0.085 0.000 1.391 196 Y CB 0.307 38.854 38.460 0.144 0.000 1.293 196 Y HN 0.260 nan 8.280 nan 0.000 0.557 197 I N 0.668 121.482 120.570 0.406 0.000 2.286 197 I HA -0.186 3.986 4.170 0.002 0.000 0.248 197 I C 0.969 177.346 176.117 0.434 0.000 1.115 197 I CA 1.728 63.240 61.300 0.354 0.000 1.392 197 I CB -0.127 38.052 38.000 0.299 0.000 1.065 197 I HN 0.654 nan 8.210 nan 0.000 0.418 198 S N -0.539 115.522 115.700 0.601 0.000 2.571 198 S HA 0.493 4.964 4.470 0.002 0.000 0.284 198 S C 0.631 175.373 174.600 0.236 0.000 1.128 198 S CA -0.447 57.980 58.200 0.379 0.000 0.970 198 S CB 1.690 64.963 63.200 0.122 0.000 1.039 198 S HN 0.291 nan 8.310 nan 0.000 0.485 199 G N 2.274 111.171 108.800 0.162 0.000 2.708 199 G HA2 -0.079 3.882 3.960 0.002 0.000 0.210 199 G HA3 -0.079 3.882 3.960 0.002 0.000 0.210 199 G C 0.500 175.202 174.900 -0.330 0.000 1.141 199 G CA 0.577 45.545 45.100 -0.220 0.000 0.788 199 G HN 0.776 nan 8.290 nan 0.000 0.531 200 Y N -0.612 119.487 120.300 -0.335 0.000 2.509 200 Y HA 0.165 4.716 4.550 0.002 0.000 0.293 200 Y C 1.888 177.559 175.900 -0.381 0.000 1.133 200 Y CA 0.118 58.002 58.100 -0.359 0.000 1.283 200 Y CB -0.216 37.993 38.460 -0.419 0.000 1.001 200 Y HN 0.282 nan 8.280 nan 0.000 0.555 201 F N -1.271 118.598 119.950 -0.136 0.000 2.802 201 F HA 0.004 4.533 4.527 0.003 0.000 0.300 201 F C 0.837 176.490 175.800 -0.244 0.000 1.168 201 F CA -0.207 57.695 58.000 -0.163 0.000 1.433 201 F CB -0.081 38.836 39.000 -0.139 0.000 1.115 201 F HN -0.343 nan 8.300 nan 0.000 0.582 202 V N 1.747 121.532 119.914 -0.215 0.000 2.450 202 V HA -0.101 4.021 4.120 0.002 0.000 0.281 202 V C 1.379 177.419 176.094 -0.091 0.000 1.019 202 V CA 1.015 63.196 62.300 -0.199 0.000 1.062 202 V CB 0.670 32.348 31.823 -0.242 0.000 0.979 202 V HN 0.432 nan 8.190 nan 0.000 0.477 203 T N 0.469 114.996 114.554 -0.046 0.000 2.983 203 T HA 0.007 4.359 4.350 0.002 0.000 0.250 203 T C 0.738 175.418 174.700 -0.033 0.000 1.037 203 T CA 0.386 62.468 62.100 -0.029 0.000 1.142 203 T CB 0.110 68.969 68.868 -0.014 0.000 0.876 203 T HN 0.564 nan 8.240 nan 0.000 0.455 204 D N 3.370 123.752 120.400 -0.030 0.000 2.485 204 D HA 0.261 4.903 4.640 0.002 0.000 0.229 204 D C -1.593 174.685 176.300 -0.037 0.000 1.101 204 D CA -2.570 51.411 54.000 -0.030 0.000 0.906 204 D CB 1.780 42.567 40.800 -0.023 0.000 1.019 204 D HN 0.083 nan 8.370 nan 0.000 0.516 205 P HA -0.153 nan 4.420 nan 0.000 0.218 205 P C 0.871 178.143 177.300 -0.045 0.000 1.148 205 P CA 0.915 63.982 63.100 -0.055 0.000 0.822 205 P CB 0.634 32.295 31.700 -0.064 0.000 0.784 206 E N -0.031 120.141 120.200 -0.045 0.000 2.160 206 E HA -0.141 4.211 4.350 0.002 0.000 0.195 206 E C 1.721 178.286 176.600 -0.059 0.000 0.991 206 E CA 1.151 57.520 56.400 -0.052 0.000 0.810 206 E CB -0.310 29.357 29.700 -0.055 0.000 0.742 206 E HN 0.294 nan 8.360 nan 0.000 0.466 207 R N -0.265 120.207 120.500 -0.047 0.000 2.543 207 R HA 0.145 4.487 4.340 0.002 0.000 0.323 207 R C -0.324 175.976 176.300 -0.001 0.000 1.002 207 R CA -0.145 55.931 56.100 -0.041 0.000 1.106 207 R CB 0.741 31.015 30.300 -0.044 0.000 1.280 207 R HN -0.080 nan 8.270 nan 0.000 0.549 208 Q N 0.964 120.766 119.800 0.003 0.000 2.411 208 Q HA -0.229 4.113 4.340 0.002 0.000 0.305 208 Q C -0.816 175.251 176.000 0.112 0.000 1.273 208 Q CA 1.371 57.199 55.803 0.042 0.000 0.895 208 Q CB -1.412 27.368 28.738 0.070 0.000 1.198 208 Q HN 0.562 nan 8.270 nan 0.000 0.470 209 E N -1.070 119.168 120.200 0.064 0.000 2.264 209 E HA 0.750 5.101 4.350 0.002 0.000 0.260 209 E C -0.624 176.009 176.600 0.056 0.000 0.961 209 E CA -0.443 56.014 56.400 0.095 0.000 0.834 209 E CB 1.535 31.261 29.700 0.043 0.000 1.230 209 E HN 0.221 nan 8.360 nan 0.000 0.412 210 A N 1.522 124.389 122.820 0.079 0.000 2.545 210 A HA 0.414 4.736 4.320 0.002 0.000 0.300 210 A C -0.994 176.601 177.584 0.019 0.000 1.252 210 A CA -0.505 51.556 52.037 0.040 0.000 0.753 210 A CB 0.479 19.520 19.000 0.069 0.000 1.144 210 A HN 0.248 nan 8.150 nan 0.000 0.457 211 V N 3.736 123.650 119.914 -0.000 0.000 2.407 211 V HA 0.386 4.508 4.120 0.002 0.000 0.278 211 V C -0.123 175.957 176.094 -0.024 0.000 1.037 211 V CA -0.177 62.115 62.300 -0.013 0.000 0.900 211 V CB 1.271 33.086 31.823 -0.013 0.000 0.983 211 V HN 0.730 nan 8.190 nan 0.000 0.459 212 L N 4.943 126.146 121.223 -0.033 0.000 2.305 212 L HA 0.530 4.871 4.340 0.002 0.000 0.284 212 L C -0.012 176.833 176.870 -0.041 0.000 1.013 212 L CA -0.596 54.218 54.840 -0.044 0.000 0.819 212 L CB 1.588 43.612 42.059 -0.058 0.000 1.227 212 L HN 0.530 nan 8.230 nan 0.000 0.417 213 E N 3.976 124.153 120.200 -0.038 0.000 2.152 213 E HA 0.017 4.369 4.350 0.002 0.000 0.285 213 E C -0.231 176.339 176.600 -0.050 0.000 1.043 213 E CA -0.113 56.265 56.400 -0.037 0.000 0.839 213 E CB 0.941 30.625 29.700 -0.027 0.000 1.069 213 E HN 0.555 nan 8.360 nan 0.000 0.399 214 D N 2.760 123.123 120.400 -0.061 0.000 2.904 214 D HA -0.130 4.511 4.640 0.002 0.000 0.231 214 D C -2.397 173.828 176.300 -0.125 0.000 1.185 214 D CA 0.089 54.034 54.000 -0.092 0.000 0.783 214 D CB 0.054 40.803 40.800 -0.086 0.000 0.961 214 D HN 0.203 nan 8.370 nan 0.000 0.409 215 P HA 0.327 nan 4.420 nan 0.000 0.287 215 P C -0.813 176.402 177.300 -0.140 0.000 1.292 215 P CA -0.625 62.418 63.100 -0.094 0.000 0.879 215 P CB 0.693 32.363 31.700 -0.051 0.000 1.214 216 Y N -0.257 120.049 120.300 0.010 0.000 2.301 216 Y HA 0.385 4.936 4.550 0.002 0.000 0.325 216 Y C 0.823 176.735 175.900 0.019 0.000 1.203 216 Y CA -0.178 57.937 58.100 0.025 0.000 1.255 216 Y CB 0.871 39.362 38.460 0.050 0.000 1.232 216 Y HN 0.059 nan 8.280 nan 0.000 0.501 217 I N 4.670 125.362 120.570 0.203 0.000 2.362 217 I HA 0.190 4.362 4.170 0.002 0.000 0.289 217 I C -1.223 174.960 176.117 0.109 0.000 0.994 217 I CA -0.806 60.566 61.300 0.119 0.000 1.158 217 I CB 1.475 39.525 38.000 0.083 0.000 1.315 217 I HN 0.302 nan 8.210 nan 0.000 0.451 218 L N 8.503 129.776 121.223 0.084 0.000 2.280 218 L HA 0.524 4.865 4.340 0.002 0.000 0.287 218 L C -1.016 175.880 176.870 0.042 0.000 1.023 218 L CA -0.083 54.794 54.840 0.062 0.000 0.819 218 L CB 0.850 42.947 42.059 0.064 0.000 1.212 218 L HN 0.430 nan 8.230 nan 0.000 0.420 219 L N 6.175 127.416 121.223 0.030 0.000 2.282 219 L HA 0.651 4.992 4.340 0.002 0.000 0.288 219 L C -0.833 176.042 176.870 0.008 0.000 1.033 219 L CA -0.781 54.065 54.840 0.011 0.000 0.807 219 L CB 1.657 43.716 42.059 0.001 0.000 1.209 219 L HN 0.320 nan 8.230 nan 0.000 0.423 220 V N 1.410 121.326 119.914 0.004 0.000 2.488 220 V HA 0.122 4.244 4.120 0.002 0.000 0.293 220 V C 0.688 176.782 176.094 0.001 0.000 1.027 220 V CA -0.366 61.938 62.300 0.006 0.000 0.862 220 V CB 1.653 33.486 31.823 0.015 0.000 1.008 220 V HN 0.911 nan 8.190 nan 0.000 0.428 221 S N 1.972 117.671 115.700 -0.001 0.000 2.489 221 S HA -0.013 4.459 4.470 0.002 0.000 0.228 221 S C 1.026 175.629 174.600 0.006 0.000 0.995 221 S CA 0.488 58.687 58.200 -0.002 0.000 0.934 221 S CB -0.041 63.157 63.200 -0.003 0.000 0.771 221 S HN 0.917 nan 8.310 nan 0.000 0.522 222 S N 0.797 116.502 115.700 0.008 0.000 2.719 222 S HA 0.530 5.001 4.470 0.002 0.000 0.285 222 S C -0.450 174.159 174.600 0.015 0.000 1.137 222 S CA -0.988 57.218 58.200 0.010 0.000 1.012 222 S CB 0.767 63.971 63.200 0.008 0.000 1.134 222 S HN 0.233 nan 8.310 nan 0.000 0.544 223 K N 0.153 120.563 120.400 0.016 0.000 2.185 223 K HA 0.535 4.856 4.320 0.002 0.000 0.271 223 K C -1.240 175.375 176.600 0.024 0.000 1.013 223 K CA -0.622 55.679 56.287 0.023 0.000 0.943 223 K CB 1.196 33.709 32.500 0.020 0.000 0.998 223 K HN 0.401 nan 8.250 nan 0.000 0.468 224 V N 2.469 122.403 119.914 0.032 0.000 2.378 224 V HA 0.103 4.225 4.120 0.002 0.000 0.288 224 V C 0.448 176.566 176.094 0.039 0.000 1.016 224 V CA -0.167 62.154 62.300 0.035 0.000 0.840 224 V CB 1.187 33.035 31.823 0.043 0.000 0.994 224 V HN 1.036 nan 8.190 nan 0.000 0.431 225 S N 1.828 117.547 115.700 0.031 0.000 2.882 225 S HA 0.115 4.587 4.470 0.002 0.000 0.258 225 S C 0.861 175.477 174.600 0.026 0.000 1.081 225 S CA 0.311 58.529 58.200 0.030 0.000 0.886 225 S CB 0.592 63.805 63.200 0.022 0.000 0.855 225 S HN 0.646 nan 8.310 nan 0.000 0.467 226 T N 2.442 117.009 114.554 0.021 0.000 2.889 226 T HA 0.506 4.857 4.350 0.002 0.000 0.291 226 T C 1.368 176.079 174.700 0.018 0.000 0.995 226 T CA -0.007 62.102 62.100 0.016 0.000 1.092 226 T CB 1.330 70.204 68.868 0.010 0.000 0.954 226 T HN 0.387 nan 8.240 nan 0.000 0.506 227 V N 3.136 123.059 119.914 0.015 0.000 2.446 227 V HA 0.163 4.285 4.120 0.002 0.000 0.244 227 V C 2.287 178.383 176.094 0.003 0.000 1.039 227 V CA 0.799 63.107 62.300 0.015 0.000 1.045 227 V CB -0.832 30.999 31.823 0.013 0.000 0.681 227 V HN 0.853 nan 8.190 nan 0.000 0.459 228 K N 0.492 120.891 120.400 -0.001 0.000 2.442 228 K HA -0.082 4.239 4.320 0.002 0.000 0.198 228 K C 1.613 178.207 176.600 -0.009 0.000 1.042 228 K CA 1.250 57.532 56.287 -0.008 0.000 0.958 228 K CB -0.208 32.288 32.500 -0.007 0.000 0.766 228 K HN 0.497 nan 8.250 nan 0.000 0.474 229 D N 0.664 121.062 120.400 -0.004 0.000 2.183 229 D HA -0.020 4.622 4.640 0.002 0.000 0.205 229 D C 1.717 178.013 176.300 -0.007 0.000 0.962 229 D CA 0.945 54.943 54.000 -0.004 0.000 0.849 229 D CB 0.263 41.064 40.800 0.002 0.000 0.978 229 D HN 0.140 nan 8.370 nan 0.000 0.488 230 L N 0.170 121.391 121.223 -0.004 0.000 2.416 230 L HA 0.046 4.387 4.340 0.002 0.000 0.216 230 L C 2.223 179.077 176.870 -0.026 0.000 1.098 230 L CA -0.070 54.767 54.840 -0.006 0.000 0.840 230 L CB 0.061 42.128 42.059 0.013 0.000 0.981 230 L HN -0.023 nan 8.230 nan 0.000 0.462 231 L N 1.220 122.424 121.223 -0.032 0.000 2.054 231 L HA -0.227 4.115 4.340 0.002 0.000 0.220 231 L C -0.483 176.343 176.870 -0.072 0.000 1.081 231 L CA 2.405 57.210 54.840 -0.058 0.000 0.780 231 L CB -1.198 40.833 42.059 -0.047 0.000 0.893 231 L HN 0.121 nan 8.230 nan 0.000 0.438 232 P HA -0.204 nan 4.420 nan 0.000 0.216 232 P C 1.819 179.078 177.300 -0.067 0.000 1.153 232 P CA 1.385 64.452 63.100 -0.055 0.000 0.858 232 P CB -0.080 31.596 31.700 -0.040 0.000 0.789 233 L N -1.112 120.073 121.223 -0.063 0.000 2.072 233 L HA -0.085 4.257 4.340 0.002 0.000 0.205 233 L C 2.191 179.004 176.870 -0.095 0.000 1.079 233 L CA 1.626 56.423 54.840 -0.072 0.000 0.752 233 L CB -1.269 40.760 42.059 -0.051 0.000 0.906 233 L HN -0.144 nan 8.230 nan 0.000 0.436 234 L N -0.570 120.588 121.223 -0.108 0.000 2.127 234 L HA -0.241 4.100 4.340 0.002 0.000 0.211 234 L C 2.516 179.211 176.870 -0.292 0.000 1.089 234 L CA 1.449 56.162 54.840 -0.212 0.000 0.757 234 L CB -0.711 41.185 42.059 -0.271 0.000 0.899 234 L HN 0.403 nan 8.230 nan 0.000 0.434 235 E N 0.127 120.209 120.200 -0.197 0.000 2.118 235 E HA -0.274 4.077 4.350 0.002 0.000 0.195 235 E C 2.145 178.675 176.600 -0.117 0.000 0.992 235 E CA 1.216 57.520 56.400 -0.159 0.000 0.804 235 E CB -0.008 29.628 29.700 -0.106 0.000 0.741 235 E HN 0.368 nan 8.360 nan 0.000 0.458 236 K N 0.527 120.865 120.400 -0.103 0.000 2.228 236 K HA -0.070 4.252 4.320 0.002 0.000 0.202 236 K C 1.980 178.538 176.600 -0.068 0.000 1.051 236 K CA 0.418 56.655 56.287 -0.082 0.000 0.960 236 K CB 0.311 32.751 32.500 -0.100 0.000 0.743 236 K HN -0.059 nan 8.250 nan 0.000 0.458 237 V N 1.255 121.130 119.914 -0.066 0.000 2.358 237 V HA -0.232 3.889 4.120 0.002 0.000 0.246 237 V C 2.118 178.317 176.094 0.176 0.000 1.047 237 V CA 1.505 63.846 62.300 0.069 0.000 1.035 237 V CB -0.335 31.623 31.823 0.224 0.000 0.658 237 V HN 0.277 nan 8.190 nan 0.000 0.452 238 I N 1.231 121.822 120.570 0.035 0.000 2.142 238 I HA -0.180 3.992 4.170 0.002 0.000 0.240 238 I C 2.630 178.790 176.117 0.072 0.000 1.078 238 I CA 1.891 63.230 61.300 0.065 0.000 1.343 238 I CB -0.981 36.957 38.000 -0.102 0.000 1.046 238 I HN 0.411 nan 8.210 nan 0.000 0.405 239 G N 0.282 109.096 108.800 0.023 0.000 2.470 239 G HA2 -0.195 3.766 3.960 0.002 0.000 0.220 239 G HA3 -0.195 3.766 3.960 0.002 0.000 0.220 239 G C 1.739 176.675 174.900 0.060 0.000 1.121 239 G CA 0.761 45.879 45.100 0.029 0.000 0.766 239 G HN 0.511 nan 8.290 nan 0.000 0.553 240 A N 0.020 122.895 122.820 0.092 0.000 2.119 240 A HA 0.417 4.739 4.320 0.002 0.000 0.216 240 A C 2.126 179.802 177.584 0.154 0.000 1.152 240 A CA 1.369 53.494 52.037 0.148 0.000 0.708 240 A CB -0.565 18.581 19.000 0.244 0.000 0.805 240 A HN 1.571 nan 8.150 nan 0.000 0.460 241 G N -0.535 108.351 108.800 0.144 0.000 2.273 241 G HA2 -0.234 3.728 3.960 0.002 0.000 0.280 241 G HA3 -0.234 3.728 3.960 0.002 0.000 0.280 241 G C -0.128 174.850 174.900 0.129 0.000 1.047 241 G CA 0.743 45.918 45.100 0.125 0.000 0.869 241 G HN 0.445 nan 8.290 nan 0.000 0.502 242 K N -0.032 120.480 120.400 0.187 0.000 2.464 242 K HA 0.540 4.862 4.320 0.002 0.000 0.253 242 K C -2.342 174.357 176.600 0.164 0.000 0.933 242 K CA -1.868 54.510 56.287 0.151 0.000 0.801 242 K CB 3.063 35.662 32.500 0.165 0.000 1.271 242 K HN 0.112 nan 8.250 nan 0.000 0.430 243 P HA 0.359 nan 4.420 nan 0.000 0.289 243 P C -0.842 176.427 177.300 -0.052 0.000 1.299 243 P CA -0.661 62.380 63.100 -0.099 0.000 0.766 243 P CB 0.790 32.420 31.700 -0.116 0.000 1.226 244 L N -0.474 120.634 121.223 -0.192 0.000 2.445 244 L HA 0.561 4.903 4.340 0.002 0.000 0.262 244 L C -1.634 175.183 176.870 -0.090 0.000 0.974 244 L CA -0.974 53.833 54.840 -0.056 0.000 0.822 244 L CB 1.870 43.947 42.059 0.030 0.000 1.339 244 L HN 0.172 nan 8.230 nan 0.000 0.409 245 L N 5.282 126.495 121.223 -0.017 0.000 2.316 245 L HA 0.657 4.999 4.340 0.002 0.000 0.280 245 L C -1.342 175.529 176.870 0.002 0.000 1.006 245 L CA 0.003 54.823 54.840 -0.033 0.000 0.836 245 L CB 1.075 43.134 42.059 -0.001 0.000 1.221 245 L HN 0.520 nan 8.230 nan 0.000 0.418 246 I N 6.791 127.343 120.570 -0.030 0.000 2.291 246 I HA 0.328 4.499 4.170 0.002 0.000 0.290 246 I C -0.198 175.929 176.117 0.017 0.000 1.050 246 I CA 0.222 61.525 61.300 0.006 0.000 1.245 246 I CB 0.773 38.777 38.000 0.006 0.000 1.405 246 I HN 0.474 nan 8.210 nan 0.000 0.478 247 I N 6.552 127.144 120.570 0.038 0.000 2.330 247 I HA 0.647 4.818 4.170 0.002 0.000 0.286 247 I C 0.288 176.412 176.117 0.013 0.000 1.025 247 I CA -0.098 61.226 61.300 0.040 0.000 1.197 247 I CB 0.671 38.694 38.000 0.039 0.000 1.358 247 I HN 0.664 nan 8.210 nan 0.000 0.467 248 A N 4.548 127.380 122.820 0.021 0.000 2.486 248 A HA 0.438 4.759 4.320 0.002 0.000 0.289 248 A C 0.816 178.414 177.584 0.023 0.000 1.176 248 A CA -0.557 51.490 52.037 0.018 0.000 0.757 248 A CB 1.325 20.343 19.000 0.030 0.000 1.337 248 A HN 0.701 nan 8.150 nan 0.000 0.423 249 E N -0.564 119.651 120.200 0.024 0.000 2.130 249 E HA -0.178 4.174 4.350 0.002 0.000 0.196 249 E C -0.321 176.311 176.600 0.054 0.000 0.998 249 E CA 1.741 58.163 56.400 0.036 0.000 0.806 249 E CB 0.167 29.885 29.700 0.030 0.000 0.738 249 E HN 0.586 nan 8.360 nan 0.000 0.459 250 D N -2.086 118.345 120.400 0.051 0.000 2.720 250 D HA 0.114 4.756 4.640 0.002 0.000 0.239 250 D C -1.885 174.453 176.300 0.063 0.000 1.218 250 D CA -0.468 53.571 54.000 0.064 0.000 0.748 250 D CB 1.758 42.594 40.800 0.060 0.000 1.387 250 D HN -0.154 nan 8.370 nan 0.000 0.438 251 V N 3.198 123.161 119.914 0.081 0.000 2.409 251 V HA 0.484 4.606 4.120 0.002 0.000 0.290 251 V C -0.029 176.123 176.094 0.097 0.000 1.017 251 V CA -0.504 61.849 62.300 0.088 0.000 0.841 251 V CB 1.349 33.233 31.823 0.101 0.000 1.003 251 V HN 0.543 nan 8.190 nan 0.000 0.426 252 E N 3.278 123.522 120.200 0.073 0.000 2.450 252 E HA 0.847 5.198 4.350 0.002 0.000 0.272 252 E C 0.406 177.034 176.600 0.046 0.000 0.967 252 E CA -0.478 55.958 56.400 0.060 0.000 0.818 252 E CB 1.914 31.642 29.700 0.047 0.000 1.401 252 E HN 0.949 nan 8.360 nan 0.000 0.450 253 G N 0.842 109.660 108.800 0.031 0.000 2.598 253 G HA2 -0.391 3.570 3.960 0.002 0.000 0.269 253 G HA3 -0.391 3.570 3.960 0.002 0.000 0.269 253 G C 0.632 175.543 174.900 0.019 0.000 1.289 253 G CA 0.544 45.656 45.100 0.019 0.000 0.926 253 G HN 0.747 nan 8.290 nan 0.000 0.567 254 E N -0.204 120.004 120.200 0.014 0.000 2.208 254 E HA -0.263 4.088 4.350 0.002 0.000 0.202 254 E C 2.920 179.537 176.600 0.028 0.000 1.014 254 E CA 1.867 58.275 56.400 0.013 0.000 0.819 254 E CB -0.304 29.402 29.700 0.010 0.000 0.735 254 E HN 0.796 nan 8.360 nan 0.000 0.469 255 A N 1.316 124.160 122.820 0.041 0.000 1.845 255 A HA -0.174 4.148 4.320 0.002 0.000 0.215 255 A C 2.208 179.848 177.584 0.094 0.000 1.195 255 A CA 1.309 53.384 52.037 0.064 0.000 0.616 255 A CB -0.697 18.341 19.000 0.063 0.000 0.832 255 A HN 0.249 nan 8.150 nan 0.000 0.443 256 L N 1.002 122.282 121.223 0.095 0.000 2.043 256 L HA -0.189 4.152 4.340 0.002 0.000 0.212 256 L C 2.649 179.567 176.870 0.080 0.000 1.075 256 L CA 3.026 57.946 54.840 0.133 0.000 0.752 256 L CB -0.614 41.509 42.059 0.107 0.000 0.891 256 L HN 0.498 nan 8.230 nan 0.000 0.432 257 S N -2.826 112.883 115.700 0.016 0.000 2.387 257 S HA -0.143 4.328 4.470 0.002 0.000 0.226 257 S C 1.852 176.450 174.600 -0.004 0.000 1.026 257 S CA 1.269 59.444 58.200 -0.041 0.000 0.972 257 S CB -1.174 61.995 63.200 -0.052 0.000 0.814 257 S HN 0.513 nan 8.310 nan 0.000 0.477 258 T N 3.314 117.891 114.554 0.038 0.000 2.746 258 T HA 0.079 4.431 4.350 0.002 0.000 0.267 258 T C 1.708 176.478 174.700 0.116 0.000 1.039 258 T CA 1.426 63.562 62.100 0.059 0.000 1.142 258 T CB -0.577 68.325 68.868 0.058 0.000 0.866 258 T HN 0.307 nan 8.240 nan 0.000 0.444 259 L N 0.451 121.780 121.223 0.177 0.000 2.017 259 L HA -0.084 4.258 4.340 0.002 0.000 0.208 259 L C 2.671 179.700 176.870 0.264 0.000 1.073 259 L CA 0.914 55.934 54.840 0.301 0.000 0.745 259 L CB -0.819 41.487 42.059 0.413 0.000 0.894 259 L HN 0.130 nan 8.230 nan 0.000 0.432 260 V N -0.526 119.423 119.914 0.059 0.000 2.237 260 V HA -0.265 3.857 4.120 0.002 0.000 0.245 260 V C 2.463 178.519 176.094 -0.064 0.000 1.046 260 V CA 1.724 63.900 62.300 -0.206 0.000 1.007 260 V CB -0.289 31.280 31.823 -0.423 0.000 0.638 260 V HN 0.161 nan 8.190 nan 0.000 0.445 261 V N 0.589 120.478 119.914 -0.042 0.000 2.252 261 V HA -0.331 3.790 4.120 0.002 0.000 0.249 261 V C 2.329 178.450 176.094 0.046 0.000 1.056 261 V CA 2.431 64.727 62.300 -0.006 0.000 1.022 261 V CB -0.929 30.890 31.823 -0.007 0.000 0.641 261 V HN 0.594 nan 8.190 nan 0.000 0.445 262 N N -0.175 118.580 118.700 0.090 0.000 2.205 262 N HA -0.205 4.536 4.740 0.002 0.000 0.186 262 N C 1.960 177.560 175.510 0.148 0.000 1.015 262 N CA 1.328 54.462 53.050 0.140 0.000 0.862 262 N CB -0.219 38.402 38.487 0.223 0.000 0.986 262 N HN 0.463 nan 8.380 nan 0.000 0.429 263 K N 1.627 122.107 120.400 0.133 0.000 2.031 263 K HA -0.017 4.304 4.320 0.002 0.000 0.205 263 K C 2.074 178.713 176.600 0.065 0.000 1.049 263 K CA 0.550 56.901 56.287 0.107 0.000 0.939 263 K CB -0.214 32.374 32.500 0.147 0.000 0.717 263 K HN 0.127 nan 8.250 nan 0.000 0.438 264 I N 1.050 121.648 120.570 0.046 0.000 2.179 264 I HA -0.256 3.916 4.170 0.002 0.000 0.242 264 I C 2.328 178.466 176.117 0.036 0.000 1.088 264 I CA 1.247 62.568 61.300 0.035 0.000 1.357 264 I CB -0.257 37.764 38.000 0.035 0.000 1.051 264 I HN 0.124 nan 8.210 nan 0.000 0.409 265 R N 0.901 121.426 120.500 0.043 0.000 2.341 265 R HA -0.065 4.276 4.340 0.002 0.000 0.213 265 R C 1.575 177.904 176.300 0.048 0.000 1.082 265 R CA 0.740 56.866 56.100 0.042 0.000 1.017 265 R CB -0.389 29.938 30.300 0.046 0.000 0.860 265 R HN 0.620 nan 8.270 nan 0.000 0.473 266 G N -0.052 108.781 108.800 0.056 0.000 2.189 266 G HA2 -0.353 3.609 3.960 0.002 0.000 0.267 266 G HA3 -0.353 3.609 3.960 0.002 0.000 0.267 266 G C 0.897 175.847 174.900 0.083 0.000 0.975 266 G CA 0.966 46.101 45.100 0.057 0.000 0.644 266 G HN 0.360 nan 8.290 nan 0.000 0.537 267 T N -0.835 113.782 114.554 0.105 0.000 2.643 267 T HA 0.172 4.523 4.350 0.002 0.000 0.264 267 T C 0.542 175.387 174.700 0.242 0.000 1.045 267 T CA 1.638 63.820 62.100 0.136 0.000 1.155 267 T CB 0.033 68.974 68.868 0.121 0.000 0.863 267 T HN 0.606 nan 8.240 nan 0.000 0.420 268 F N 1.303 121.283 119.950 0.049 0.000 2.562 268 F HA 0.561 5.088 4.527 0.001 0.000 0.319 268 F C -1.232 174.614 175.800 0.076 0.000 1.154 268 F CA -1.858 56.177 58.000 0.058 0.000 0.931 268 F CB 1.459 40.494 39.000 0.058 0.000 1.198 268 F HN -0.339 nan 8.300 nan 0.000 0.444 269 K N 3.964 124.158 120.400 -0.344 0.000 2.263 269 K HA 0.518 4.839 4.320 0.002 0.000 0.282 269 K C -0.774 175.519 176.600 -0.513 0.000 1.089 269 K CA -0.111 55.999 56.287 -0.296 0.000 0.907 269 K CB 0.680 33.084 32.500 -0.160 0.000 1.148 269 K HN 0.614 nan 8.250 nan 0.000 0.470 270 S N 0.202 115.711 115.700 -0.318 0.000 2.618 270 S HA 0.770 5.241 4.470 0.002 0.000 0.277 270 S C -0.969 173.461 174.600 -0.283 0.000 1.138 270 S CA -0.936 57.073 58.200 -0.319 0.000 0.844 270 S CB 1.620 64.647 63.200 -0.289 0.000 1.127 270 S HN 0.061 nan 8.310 nan 0.000 0.474 271 V N 0.712 120.353 119.914 -0.454 0.000 2.668 271 V HA 0.796 4.917 4.120 0.002 0.000 0.304 271 V C -0.099 175.589 176.094 -0.677 0.000 1.071 271 V CA -0.554 61.284 62.300 -0.769 0.000 0.894 271 V CB 1.401 33.038 31.823 -0.309 0.000 1.008 271 V HN 1.322 nan 8.190 nan 0.000 0.425 272 A N 4.468 126.691 122.820 -0.995 0.000 2.301 272 A HA 0.923 5.244 4.320 0.002 0.000 0.312 272 A C -0.698 176.825 177.584 -0.101 0.000 1.182 272 A CA -0.476 51.350 52.037 -0.352 0.000 0.826 272 A CB 1.244 20.147 19.000 -0.162 0.000 1.134 272 A HN 0.840 nan 8.150 nan 0.000 0.501 273 V N 2.599 122.518 119.914 0.010 0.000 2.841 273 V HA 0.345 4.467 4.120 0.002 0.000 0.310 273 V C -0.225 175.940 176.094 0.120 0.000 1.090 273 V CA -0.968 61.397 62.300 0.107 0.000 0.930 273 V CB 2.108 34.041 31.823 0.183 0.000 1.014 273 V HN 0.934 nan 8.190 nan 0.000 0.425 274 K N 2.272 122.752 120.400 0.133 0.000 2.174 274 K HA 0.696 5.018 4.320 0.002 0.000 0.275 274 K C 0.390 177.028 176.600 0.063 0.000 1.015 274 K CA -0.200 56.146 56.287 0.098 0.000 0.933 274 K CB 1.609 34.172 32.500 0.106 0.000 1.025 274 K HN 0.910 nan 8.250 nan 0.000 0.463 275 A N 4.315 127.126 122.820 -0.015 0.000 2.536 275 A HA 0.029 4.351 4.320 0.002 0.000 0.234 275 A C -1.533 175.971 177.584 -0.132 0.000 1.076 275 A CA -0.740 51.211 52.037 -0.143 0.000 0.769 275 A CB -0.353 18.590 19.000 -0.095 0.000 1.020 275 A HN 0.541 nan 8.150 nan 0.000 0.508 276 P HA -0.012 nan 4.420 nan 0.000 0.211 276 P C 1.084 178.294 177.300 -0.150 0.000 1.179 276 P CA 1.864 64.846 63.100 -0.198 0.000 0.910 276 P CB 0.047 31.583 31.700 -0.273 0.000 0.785 277 G N -2.270 106.441 108.800 -0.148 0.000 3.175 277 G HA2 0.613 4.574 3.960 0.002 0.000 0.153 277 G HA3 0.613 4.574 3.960 0.002 0.000 0.153 277 G C -1.172 173.691 174.900 -0.061 0.000 1.216 277 G CA -0.562 44.402 45.100 -0.227 0.000 0.943 277 G HN 0.082 nan 8.290 nan 0.000 0.611 278 F N -0.052 119.897 119.950 -0.003 0.000 2.551 278 F HA 0.499 5.025 4.527 -0.001 0.000 0.316 278 F C 1.097 176.898 175.800 0.002 0.000 1.089 278 F CA -0.258 57.744 58.000 0.003 0.000 0.915 278 F CB 2.191 41.201 39.000 0.016 0.000 1.186 278 F HN 0.985 nan 8.300 nan 0.000 0.456 279 G N 2.744 111.659 108.800 0.192 0.000 2.564 279 G HA2 -0.359 3.603 3.960 0.002 0.000 0.309 279 G HA3 -0.359 3.603 3.960 0.002 0.000 0.309 279 G C 0.680 175.622 174.900 0.070 0.000 1.320 279 G CA 0.509 45.666 45.100 0.094 0.000 0.941 279 G HN 0.732 nan 8.290 nan 0.000 0.543 280 D N -0.271 120.159 120.400 0.049 0.000 2.339 280 D HA -0.212 4.430 4.640 0.002 0.000 0.189 280 D C 2.326 178.640 176.300 0.023 0.000 1.022 280 D CA 1.924 55.943 54.000 0.032 0.000 0.884 280 D CB -0.159 40.659 40.800 0.031 0.000 0.916 280 D HN 0.512 nan 8.370 nan 0.000 0.453 281 R N 0.427 120.947 120.500 0.033 0.000 2.189 281 R HA -0.102 4.239 4.340 0.002 0.000 0.223 281 R C 2.303 178.595 176.300 -0.014 0.000 1.092 281 R CA 1.115 57.220 56.100 0.008 0.000 0.989 281 R CB 0.128 30.436 30.300 0.013 0.000 0.876 281 R HN 0.209 nan 8.270 nan 0.000 0.457 282 R N -0.424 120.079 120.500 0.004 0.000 2.200 282 R HA 0.006 4.347 4.340 0.002 0.000 0.208 282 R C 1.839 178.116 176.300 -0.038 0.000 1.033 282 R CA 1.143 57.226 56.100 -0.027 0.000 1.000 282 R CB -0.141 30.166 30.300 0.012 0.000 0.906 282 R HN -0.014 nan 8.270 nan 0.000 0.462 283 K N 0.338 120.730 120.400 -0.014 0.000 2.365 283 K HA 0.132 4.453 4.320 0.002 0.000 0.197 283 K C 1.670 178.255 176.600 -0.026 0.000 1.042 283 K CA 0.825 57.101 56.287 -0.018 0.000 0.987 283 K CB 0.067 32.566 32.500 -0.002 0.000 0.779 283 K HN 0.304 nan 8.250 nan 0.000 0.484 284 A N 0.613 123.416 122.820 -0.027 0.000 1.975 284 A HA -0.002 4.320 4.320 0.002 0.000 0.215 284 A C 1.927 179.484 177.584 -0.044 0.000 1.170 284 A CA 0.631 52.651 52.037 -0.029 0.000 0.656 284 A CB -0.221 18.765 19.000 -0.024 0.000 0.821 284 A HN 0.241 nan 8.150 nan 0.000 0.449 285 M N -0.532 119.029 119.600 -0.065 0.000 2.132 285 M HA -0.028 4.454 4.480 0.002 0.000 0.263 285 M C 2.007 178.242 176.300 -0.108 0.000 1.065 285 M CA 1.200 56.444 55.300 -0.093 0.000 1.122 285 M CB -0.438 32.082 32.600 -0.133 0.000 1.365 285 M HN 0.340 nan 8.290 nan 0.000 0.411 286 L N -0.023 121.135 121.223 -0.107 0.000 2.079 286 L HA -0.264 4.078 4.340 0.002 0.000 0.210 286 L C 2.694 179.530 176.870 -0.057 0.000 1.081 286 L CA 1.210 55.992 54.840 -0.097 0.000 0.752 286 L CB -0.502 41.513 42.059 -0.074 0.000 0.896 286 L HN 0.338 nan 8.230 nan 0.000 0.433 287 Q N 0.379 120.153 119.800 -0.043 0.000 2.079 287 Q HA -0.217 4.125 4.340 0.002 0.000 0.200 287 Q C 1.633 177.619 176.000 -0.022 0.000 0.974 287 Q CA 1.956 57.743 55.803 -0.025 0.000 0.840 287 Q CB -0.192 28.534 28.738 -0.020 0.000 0.898 287 Q HN 0.399 nan 8.270 nan 0.000 0.430 288 D N -0.602 119.780 120.400 -0.029 0.000 2.149 288 D HA -0.170 4.472 4.640 0.002 0.000 0.198 288 D C 1.782 178.075 176.300 -0.012 0.000 0.990 288 D CA 1.456 55.443 54.000 -0.020 0.000 0.839 288 D CB -0.163 40.621 40.800 -0.025 0.000 0.948 288 D HN 0.395 nan 8.370 nan 0.000 0.460 289 M N 0.162 119.747 119.600 -0.024 0.000 2.156 289 M HA -0.014 4.468 4.480 0.002 0.000 0.264 289 M C 2.359 178.662 176.300 0.006 0.000 1.067 289 M CA 1.075 56.372 55.300 -0.004 0.000 1.131 289 M CB -0.228 32.356 32.600 -0.028 0.000 1.368 289 M HN -0.007 nan 8.290 nan 0.000 0.416 290 A N 1.168 123.986 122.820 -0.003 0.000 1.873 290 A HA -0.180 4.141 4.320 0.002 0.000 0.218 290 A C 2.096 179.688 177.584 0.012 0.000 1.193 290 A CA 1.720 53.762 52.037 0.008 0.000 0.629 290 A CB -1.017 17.984 19.000 0.002 0.000 0.826 290 A HN 0.440 nan 8.150 nan 0.000 0.447 291 I N -0.857 119.716 120.570 0.006 0.000 2.226 291 I HA -0.237 3.935 4.170 0.002 0.000 0.245 291 I C 2.478 178.602 176.117 0.010 0.000 1.100 291 I CA 1.423 62.727 61.300 0.007 0.000 1.374 291 I CB -0.274 37.727 38.000 0.002 0.000 1.057 291 I HN 0.468 nan 8.210 nan 0.000 0.413 292 L N -0.070 121.160 121.223 0.011 0.000 2.017 292 L HA -0.207 4.135 4.340 0.002 0.000 0.208 292 L C 2.415 179.295 176.870 0.018 0.000 1.073 292 L CA 2.160 57.009 54.840 0.015 0.000 0.745 292 L CB -0.864 41.208 42.059 0.020 0.000 0.894 292 L HN 0.086 nan 8.230 nan 0.000 0.432 293 T N -1.656 112.912 114.554 0.024 0.000 3.014 293 T HA 0.226 4.578 4.350 0.002 0.000 0.263 293 T C 1.302 176.020 174.700 0.030 0.000 1.078 293 T CA 1.157 63.274 62.100 0.028 0.000 1.135 293 T CB -0.153 68.739 68.868 0.039 0.000 0.895 293 T HN 0.794 nan 8.240 nan 0.000 0.480 294 G N -0.187 108.630 108.800 0.029 0.000 2.376 294 G HA2 -0.110 3.851 3.960 0.002 0.000 0.208 294 G HA3 -0.110 3.851 3.960 0.002 0.000 0.208 294 G C 0.637 175.561 174.900 0.040 0.000 1.032 294 G CA 0.046 45.166 45.100 0.033 0.000 0.641 294 G HN 0.841 nan 8.290 nan 0.000 0.503 295 G N -0.373 108.456 108.800 0.049 0.000 2.590 295 G HA2 0.464 4.426 3.960 0.002 0.000 0.276 295 G HA3 0.464 4.426 3.960 0.002 0.000 0.276 295 G C -0.125 174.793 174.900 0.030 0.000 1.337 295 G CA 0.924 46.054 45.100 0.050 0.000 1.030 295 G HN 0.768 nan 8.290 nan 0.000 0.534 296 Q N -1.311 118.504 119.800 0.025 0.000 2.274 296 Q HA 0.399 4.740 4.340 0.002 0.000 0.268 296 Q C -0.473 175.534 176.000 0.011 0.000 1.015 296 Q CA -0.572 55.239 55.803 0.014 0.000 0.775 296 Q CB 1.993 30.738 28.738 0.012 0.000 1.256 296 Q HN 0.376 nan 8.270 nan 0.000 0.442 297 V N 5.230 125.147 119.914 0.005 0.000 2.486 297 V HA -0.068 4.054 4.120 0.002 0.000 0.290 297 V C 0.474 176.569 176.094 0.002 0.000 0.991 297 V CA 0.297 62.597 62.300 0.001 0.000 1.142 297 V CB -0.440 31.379 31.823 -0.007 0.000 0.926 297 V HN 0.689 nan 8.190 nan 0.000 0.472 298 I N 6.311 126.883 120.570 0.004 0.000 2.577 298 I HA 0.001 4.172 4.170 0.002 0.000 0.299 298 I C 0.844 176.962 176.117 0.002 0.000 1.157 298 I CA 1.070 62.372 61.300 0.003 0.000 1.418 298 I CB -0.038 37.965 38.000 0.005 0.000 1.467 298 I HN 0.748 nan 8.210 nan 0.000 0.624 299 S N 3.948 119.649 115.700 0.001 0.000 2.474 299 S HA 0.397 4.869 4.470 0.002 0.000 0.321 299 S C 0.810 175.411 174.600 0.001 0.000 1.080 299 S CA -0.849 57.351 58.200 0.000 0.000 1.106 299 S CB 1.365 64.564 63.200 -0.001 0.000 0.984 299 S HN 0.395 nan 8.310 nan 0.000 0.464 300 E N 2.350 122.550 120.200 0.001 0.000 2.331 300 E HA -0.140 4.211 4.350 0.002 0.000 0.199 300 E C 1.226 177.826 176.600 0.000 0.000 1.008 300 E CA 1.305 57.706 56.400 0.001 0.000 0.843 300 E CB -0.114 29.587 29.700 0.001 0.000 0.761 300 E HN 0.869 nan 8.360 nan 0.000 0.507 301 E N -0.733 119.467 120.200 0.000 0.000 2.166 301 E HA 0.015 4.366 4.350 0.002 0.000 0.192 301 E C 1.821 178.421 176.600 0.000 0.000 0.967 301 E CA 0.480 56.880 56.400 0.000 0.000 0.840 301 E CB 0.385 30.085 29.700 0.001 0.000 0.795 301 E HN 0.063 nan 8.360 nan 0.000 0.470 302 V N 0.703 120.617 119.914 0.000 0.000 2.341 302 V HA 0.024 4.145 4.120 0.002 0.000 0.240 302 V C 1.519 177.613 176.094 -0.000 0.000 1.035 302 V CA 1.525 63.825 62.300 -0.000 0.000 1.033 302 V CB -0.388 31.435 31.823 -0.000 0.000 0.678 302 V HN 0.247 nan 8.190 nan 0.000 0.464 303 G N -0.829 107.971 108.800 -0.000 0.000 2.882 303 G HA2 0.543 4.504 3.960 0.002 0.000 0.164 303 G HA3 0.543 4.504 3.960 0.002 0.000 0.164 303 G C -0.479 174.420 174.900 -0.001 0.000 1.429 303 G CA -0.244 44.856 45.100 -0.000 0.000 1.059 303 G HN 0.146 nan 8.290 nan 0.000 0.581 304 L N -1.739 119.484 121.223 -0.002 0.000 2.670 304 L HA 0.558 4.900 4.340 0.002 0.000 0.251 304 L C 0.921 177.789 176.870 -0.002 0.000 1.548 304 L CA -0.508 54.331 54.840 -0.002 0.000 1.643 304 L CB 0.887 42.944 42.059 -0.003 0.000 2.174 304 L HN 0.491 nan 8.230 nan 0.000 0.585 305 T N -0.695 113.857 114.554 -0.003 0.000 2.899 305 T HA 0.349 4.700 4.350 0.002 0.000 0.284 305 T C 1.098 175.795 174.700 -0.005 0.000 1.004 305 T CA -0.217 61.881 62.100 -0.004 0.000 1.043 305 T CB 0.354 69.219 68.868 -0.004 0.000 1.013 305 T HN 0.369 nan 8.240 nan 0.000 0.518 306 L N 2.107 123.327 121.223 -0.005 0.000 2.201 306 L HA 0.010 4.351 4.340 0.002 0.000 0.212 306 L C 2.577 179.440 176.870 -0.012 0.000 1.105 306 L CA 1.026 55.862 54.840 -0.007 0.000 0.775 306 L CB -0.484 41.573 42.059 -0.003 0.000 0.913 306 L HN 0.713 nan 8.230 nan 0.000 0.440 307 E N 1.341 121.534 120.200 -0.011 0.000 2.045 307 E HA -0.295 4.057 4.350 0.002 0.000 0.212 307 E C 1.051 177.640 176.600 -0.017 0.000 1.039 307 E CA 1.562 57.954 56.400 -0.014 0.000 0.860 307 E CB -0.219 29.474 29.700 -0.011 0.000 0.776 307 E HN 0.365 nan 8.360 nan 0.000 0.467 308 N N -0.059 118.632 118.700 -0.015 0.000 2.739 308 N HA 0.304 5.045 4.740 0.002 0.000 0.266 308 N C -1.653 173.846 175.510 -0.017 0.000 1.168 308 N CA 0.293 53.333 53.050 -0.016 0.000 1.055 308 N CB 0.342 38.822 38.487 -0.012 0.000 1.393 308 N HN 0.310 nan 8.380 nan 0.000 0.514 309 A N 2.136 124.942 122.820 -0.024 0.000 2.356 309 A HA 0.569 4.890 4.320 0.002 0.000 0.323 309 A C -0.960 176.602 177.584 -0.037 0.000 1.119 309 A CA -0.743 51.277 52.037 -0.028 0.000 0.790 309 A CB 1.257 20.238 19.000 -0.031 0.000 1.273 309 A HN 0.613 nan 8.150 nan 0.000 0.452 310 D N 0.309 120.685 120.400 -0.039 0.000 2.527 310 D HA 0.478 5.120 4.640 0.002 0.000 0.233 310 D C 0.821 177.078 176.300 -0.072 0.000 1.063 310 D CA -0.584 53.388 54.000 -0.047 0.000 0.880 310 D CB 1.249 42.032 40.800 -0.027 0.000 1.457 310 D HN 0.272 nan 8.370 nan 0.000 0.475 311 L N 1.493 122.650 121.223 -0.110 0.000 2.349 311 L HA -0.125 4.217 4.340 0.002 0.000 0.220 311 L C 2.071 178.892 176.870 -0.082 0.000 1.130 311 L CA 1.221 55.942 54.840 -0.199 0.000 0.791 311 L CB -0.616 41.276 42.059 -0.278 0.000 0.918 311 L HN 0.444 nan 8.230 nan 0.000 0.444 312 S N -0.374 115.314 115.700 -0.020 0.000 2.481 312 S HA -0.060 4.411 4.470 0.002 0.000 0.231 312 S C 1.737 176.353 174.600 0.027 0.000 0.996 312 S CA 0.513 58.727 58.200 0.024 0.000 0.942 312 S CB -0.354 62.857 63.200 0.019 0.000 0.768 312 S HN 0.471 nan 8.310 nan 0.000 0.520 313 L N 0.372 121.599 121.223 0.005 0.000 2.395 313 L HA 0.287 4.629 4.340 0.002 0.000 0.218 313 L C 0.375 177.264 176.870 0.031 0.000 1.130 313 L CA 0.279 55.126 54.840 0.012 0.000 0.826 313 L CB -0.415 41.643 42.059 -0.002 0.000 0.941 313 L HN 0.286 nan 8.230 nan 0.000 0.451 314 L N 0.216 121.466 121.223 0.046 0.000 2.275 314 L HA 0.408 4.750 4.340 0.002 0.000 0.288 314 L C 0.909 177.888 176.870 0.182 0.000 1.046 314 L CA -0.526 54.379 54.840 0.109 0.000 0.805 314 L CB 1.038 43.159 42.059 0.102 0.000 1.193 314 L HN -0.070 nan 8.230 nan 0.000 0.426 315 G N 2.294 111.177 108.800 0.138 0.000 2.667 315 G HA2 0.368 4.329 3.960 0.002 0.000 0.250 315 G HA3 0.368 4.329 3.960 0.002 0.000 0.250 315 G C -0.562 174.410 174.900 0.120 0.000 1.212 315 G CA -0.253 44.913 45.100 0.109 0.000 0.874 315 G HN 0.670 nan 8.290 nan 0.000 0.561 316 K N -1.259 119.162 120.400 0.036 0.000 2.477 316 K HA 0.811 5.133 4.320 0.002 0.000 0.255 316 K C -0.764 175.804 176.600 -0.053 0.000 0.952 316 K CA -0.298 55.951 56.287 -0.064 0.000 0.826 316 K CB 2.078 34.473 32.500 -0.175 0.000 1.331 316 K HN 1.029 nan 8.250 nan 0.000 0.437 317 A N 1.805 124.578 122.820 -0.078 0.000 2.593 317 A HA 0.542 4.863 4.320 0.002 0.000 0.290 317 A C -0.295 177.248 177.584 -0.068 0.000 1.126 317 A CA -0.776 51.229 52.037 -0.053 0.000 0.695 317 A CB 1.606 20.590 19.000 -0.027 0.000 1.290 317 A HN 0.848 nan 8.150 nan 0.000 0.414 318 R N -0.237 120.233 120.500 -0.050 0.000 2.246 318 R HA 0.191 4.532 4.340 0.002 0.000 0.199 318 R C -0.019 176.255 176.300 -0.043 0.000 0.984 318 R CA 1.194 57.265 56.100 -0.048 0.000 1.015 318 R CB 0.031 30.310 30.300 -0.036 0.000 0.930 318 R HN 0.574 nan 8.270 nan 0.000 0.475 319 K N -0.068 120.309 120.400 -0.039 0.000 2.592 319 K HA 0.176 4.498 4.320 0.002 0.000 0.259 319 K C -2.063 174.517 176.600 -0.033 0.000 0.937 319 K CA -0.530 55.735 56.287 -0.035 0.000 0.874 319 K CB 2.245 34.727 32.500 -0.029 0.000 1.339 319 K HN -0.109 nan 8.250 nan 0.000 0.425 320 V N 4.078 123.971 119.914 -0.035 0.000 2.407 320 V HA 0.386 4.508 4.120 0.002 0.000 0.291 320 V C -0.639 175.431 176.094 -0.040 0.000 1.018 320 V CA -0.803 61.474 62.300 -0.037 0.000 0.842 320 V CB 1.730 33.534 31.823 -0.032 0.000 0.996 320 V HN 0.486 nan 8.190 nan 0.000 0.426 321 V N 6.056 125.940 119.914 -0.050 0.000 2.370 321 V HA 0.509 4.631 4.120 0.002 0.000 0.283 321 V C -0.192 175.867 176.094 -0.059 0.000 1.023 321 V CA -0.569 61.707 62.300 -0.041 0.000 0.857 321 V CB 1.737 33.537 31.823 -0.039 0.000 0.985 321 V HN 0.566 nan 8.190 nan 0.000 0.443 322 V N 4.781 124.689 119.914 -0.010 0.000 2.444 322 V HA 0.606 4.727 4.120 0.002 0.000 0.294 322 V C 0.427 176.587 176.094 0.111 0.000 1.022 322 V CA -0.242 62.064 62.300 0.010 0.000 0.850 322 V CB 1.911 33.777 31.823 0.072 0.000 0.992 322 V HN 1.041 nan 8.190 nan 0.000 0.426 323 T N 0.997 115.541 114.554 -0.017 0.000 2.844 323 T HA 0.371 4.723 4.350 0.002 0.000 0.274 323 T C 1.108 175.570 174.700 -0.397 0.000 0.991 323 T CA -0.452 61.638 62.100 -0.017 0.000 0.983 323 T CB 1.507 70.349 68.868 -0.045 0.000 1.310 323 T HN 0.486 nan 8.240 nan 0.000 0.596 324 K N -0.002 120.175 120.400 -0.371 0.000 2.103 324 K HA -0.158 4.164 4.320 0.002 0.000 0.207 324 K C 0.677 177.035 176.600 -0.403 0.000 1.048 324 K CA 2.011 57.955 56.287 -0.571 0.000 0.930 324 K CB -0.264 32.129 32.500 -0.178 0.000 0.716 324 K HN 0.610 nan 8.250 nan 0.000 0.444 325 D N -0.340 119.914 120.400 -0.244 0.000 2.441 325 D HA 0.113 4.755 4.640 0.002 0.000 0.210 325 D C -0.195 176.006 176.300 -0.164 0.000 1.102 325 D CA 0.259 54.159 54.000 -0.166 0.000 0.840 325 D CB 0.895 41.633 40.800 -0.103 0.000 0.990 325 D HN 0.281 nan 8.370 nan 0.000 0.505 326 E N -0.386 119.689 120.200 -0.208 0.000 2.433 326 E HA 0.429 4.780 4.350 0.002 0.000 0.278 326 E C -1.122 175.269 176.600 -0.349 0.000 0.976 326 E CA -0.608 55.639 56.400 -0.256 0.000 0.793 326 E CB 2.339 31.923 29.700 -0.194 0.000 1.311 326 E HN -0.264 nan 8.360 nan 0.000 0.460 327 T N 1.274 115.466 114.554 -0.603 0.000 2.881 327 T HA 0.417 4.768 4.350 0.002 0.000 0.291 327 T C -0.930 173.444 174.700 -0.544 0.000 0.990 327 T CA -0.567 61.150 62.100 -0.639 0.000 0.976 327 T CB 1.485 69.731 68.868 -1.036 0.000 0.970 327 T HN 0.298 nan 8.240 nan 0.000 0.438 328 T N 3.904 118.296 114.554 -0.271 0.000 2.797 328 T HA 0.574 4.925 4.350 0.002 0.000 0.279 328 T C 0.017 174.661 174.700 -0.093 0.000 0.991 328 T CA -0.538 61.466 62.100 -0.160 0.000 0.979 328 T CB 0.719 69.525 68.868 -0.105 0.000 0.943 328 T HN 0.441 nan 8.240 nan 0.000 0.444 329 I N 3.221 123.766 120.570 -0.041 0.000 2.330 329 I HA 0.341 4.512 4.170 0.002 0.000 0.289 329 I C -0.450 175.662 176.117 -0.008 0.000 1.001 329 I CA -0.876 60.422 61.300 -0.004 0.000 1.193 329 I CB 1.438 39.466 38.000 0.047 0.000 1.345 329 I HN 0.265 nan 8.210 nan 0.000 0.461 330 V N 6.334 126.238 119.914 -0.016 0.000 2.333 330 V HA 0.191 4.313 4.120 0.002 0.000 0.274 330 V C 0.243 176.327 176.094 -0.016 0.000 1.028 330 V CA -0.376 61.914 62.300 -0.017 0.000 0.851 330 V CB 0.856 32.666 31.823 -0.022 0.000 1.000 330 V HN 0.918 nan 8.190 nan 0.000 0.456 331 E N 3.519 123.712 120.200 -0.011 0.000 2.689 331 E HA -0.138 4.213 4.350 0.002 0.000 0.165 331 E C 0.469 177.063 176.600 -0.010 0.000 1.609 331 E CA 0.334 56.727 56.400 -0.011 0.000 0.674 331 E CB -0.732 28.958 29.700 -0.016 0.000 1.103 331 E HN 0.992 nan 8.360 nan 0.000 0.373 332 G N 2.047 110.845 108.800 -0.002 0.000 2.554 332 G HA2 0.386 4.347 3.960 0.002 0.000 0.238 332 G HA3 0.386 4.347 3.960 0.002 0.000 0.238 332 G C 0.842 175.741 174.900 -0.002 0.000 1.259 332 G CA -0.001 45.100 45.100 0.003 0.000 0.843 332 G HN 0.750 nan 8.290 nan 0.000 0.582 333 A N 1.473 124.293 122.820 -0.001 0.000 2.337 333 A HA 0.532 4.853 4.320 0.002 0.000 0.227 333 A C 1.411 178.999 177.584 0.007 0.000 1.259 333 A CA 0.472 52.508 52.037 -0.002 0.000 0.870 333 A CB -0.337 18.660 19.000 -0.006 0.000 0.927 333 A HN 1.066 nan 8.150 nan 0.000 0.497 334 G N -0.159 108.647 108.800 0.009 0.000 2.527 334 G HA2 0.351 4.312 3.960 0.002 0.000 0.248 334 G HA3 0.351 4.312 3.960 0.002 0.000 0.248 334 G C -0.420 174.485 174.900 0.008 0.000 1.231 334 G CA -0.161 44.946 45.100 0.011 0.000 0.838 334 G HN 0.302 nan 8.290 nan 0.000 0.570 335 D N 0.373 120.778 120.400 0.009 0.000 2.493 335 D HA 0.066 4.708 4.640 0.002 0.000 0.240 335 D C 1.700 178.002 176.300 0.005 0.000 1.142 335 D CA 0.202 54.206 54.000 0.006 0.000 0.872 335 D CB 0.797 41.601 40.800 0.007 0.000 1.173 335 D HN 0.154 nan 8.370 nan 0.000 0.467 336 T N 2.682 117.238 114.554 0.003 0.000 2.746 336 T HA -0.142 4.210 4.350 0.002 0.000 0.267 336 T C 1.068 175.769 174.700 0.002 0.000 1.039 336 T CA 1.170 63.272 62.100 0.002 0.000 1.142 336 T CB -0.106 68.762 68.868 0.001 0.000 0.866 336 T HN 0.504 nan 8.240 nan 0.000 0.444 337 D N 1.222 121.624 120.400 0.002 0.000 2.178 337 D HA 0.006 4.647 4.640 0.002 0.000 0.202 337 D C 2.320 178.621 176.300 0.002 0.000 0.974 337 D CA 1.032 55.033 54.000 0.002 0.000 0.841 337 D CB -0.191 40.610 40.800 0.002 0.000 0.953 337 D HN 0.419 nan 8.370 nan 0.000 0.478 338 A N 0.852 123.674 122.820 0.003 0.000 1.897 338 A HA -0.074 4.248 4.320 0.002 0.000 0.215 338 A C 2.327 179.912 177.584 0.002 0.000 1.181 338 A CA 0.588 52.627 52.037 0.003 0.000 0.620 338 A CB -0.499 18.504 19.000 0.005 0.000 0.821 338 A HN 0.139 nan 8.150 nan 0.000 0.443 339 I N -0.319 120.253 120.570 0.003 0.000 2.315 339 I HA -0.224 3.948 4.170 0.002 0.000 0.248 339 I C 2.944 179.061 176.117 0.000 0.000 1.117 339 I CA 0.888 62.189 61.300 0.002 0.000 1.404 339 I CB -0.325 37.676 38.000 0.003 0.000 1.071 339 I HN 0.356 nan 8.210 nan 0.000 0.419 340 A N 1.026 123.846 122.820 0.000 0.000 1.940 340 A HA -0.150 4.171 4.320 0.002 0.000 0.219 340 A C 2.420 180.003 177.584 -0.001 0.000 1.176 340 A CA 1.980 54.016 52.037 -0.001 0.000 0.631 340 A CB -1.364 17.636 19.000 -0.001 0.000 0.814 340 A HN 0.461 nan 8.150 nan 0.000 0.446 341 G N -0.617 108.183 108.800 -0.001 0.000 2.402 341 G HA2 -0.227 3.734 3.960 0.002 0.000 0.216 341 G HA3 -0.227 3.734 3.960 0.002 0.000 0.216 341 G C 1.688 176.587 174.900 -0.002 0.000 1.162 341 G CA 1.178 46.277 45.100 -0.001 0.000 0.777 341 G HN 0.521 nan 8.290 nan 0.000 0.539 342 R N 0.409 120.907 120.500 -0.002 0.000 2.096 342 R HA 0.014 4.355 4.340 0.002 0.000 0.235 342 R C 2.497 178.793 176.300 -0.006 0.000 1.127 342 R CA 1.359 57.457 56.100 -0.004 0.000 0.968 342 R CB -0.867 29.431 30.300 -0.004 0.000 0.861 342 R HN 0.225 nan 8.270 nan 0.000 0.440 343 V N 0.710 120.621 119.914 -0.005 0.000 2.427 343 V HA -0.166 3.956 4.120 0.002 0.000 0.248 343 V C 2.343 178.433 176.094 -0.006 0.000 1.051 343 V CA 1.810 64.106 62.300 -0.006 0.000 1.048 343 V CB -0.921 30.899 31.823 -0.005 0.000 0.666 343 V HN 0.511 nan 8.190 nan 0.000 0.456 344 A N -0.769 122.048 122.820 -0.005 0.000 1.873 344 A HA -0.285 4.036 4.320 0.002 0.000 0.215 344 A C 2.258 179.839 177.584 -0.005 0.000 1.186 344 A CA 1.936 53.971 52.037 -0.005 0.000 0.616 344 A CB -0.597 18.401 19.000 -0.003 0.000 0.823 344 A HN 0.554 nan 8.150 nan 0.000 0.442 345 Q N -0.359 119.438 119.800 -0.005 0.000 2.096 345 Q HA -0.218 4.124 4.340 0.002 0.000 0.208 345 Q C 1.952 177.947 176.000 -0.007 0.000 0.993 345 Q CA 2.166 57.966 55.803 -0.005 0.000 0.862 345 Q CB -0.290 28.445 28.738 -0.005 0.000 0.915 345 Q HN 0.749 nan 8.270 nan 0.000 0.416 346 I N -0.361 120.204 120.570 -0.009 0.000 2.286 346 I HA -0.216 3.956 4.170 0.002 0.000 0.245 346 I C 2.524 178.634 176.117 -0.012 0.000 1.104 346 I CA 0.893 62.186 61.300 -0.012 0.000 1.397 346 I CB -0.227 37.764 38.000 -0.016 0.000 1.072 346 I HN 0.114 nan 8.210 nan 0.000 0.417 347 R N 1.042 121.537 120.500 -0.010 0.000 2.170 347 R HA -0.202 4.139 4.340 0.002 0.000 0.242 347 R C 2.163 178.459 176.300 -0.007 0.000 1.145 347 R CA 1.555 57.650 56.100 -0.009 0.000 0.984 347 R CB -0.112 30.184 30.300 -0.007 0.000 0.869 347 R HN 0.464 nan 8.270 nan 0.000 0.455 348 Q N -0.629 119.167 119.800 -0.006 0.000 2.123 348 Q HA -0.080 4.261 4.340 0.002 0.000 0.196 348 Q C 1.803 177.801 176.000 -0.004 0.000 0.958 348 Q CA 1.287 57.088 55.803 -0.004 0.000 0.841 348 Q CB 0.114 28.850 28.738 -0.003 0.000 0.915 348 Q HN 0.493 nan 8.270 nan 0.000 0.455 349 E N 1.085 121.281 120.200 -0.005 0.000 2.085 349 E HA -0.186 4.166 4.350 0.002 0.000 0.194 349 E C 1.920 178.516 176.600 -0.006 0.000 0.994 349 E CA 0.988 57.385 56.400 -0.005 0.000 0.801 349 E CB -0.193 29.502 29.700 -0.008 0.000 0.743 349 E HN 0.369 nan 8.360 nan 0.000 0.453 350 I N 1.244 121.809 120.570 -0.009 0.000 2.530 350 I HA -0.229 3.942 4.170 0.002 0.000 0.257 350 I C 2.136 178.250 176.117 -0.005 0.000 1.179 350 I CA 0.920 62.214 61.300 -0.011 0.000 1.440 350 I CB -0.238 37.754 38.000 -0.014 0.000 1.087 350 I HN 0.085 nan 8.210 nan 0.000 0.440 351 E N 0.529 120.727 120.200 -0.004 0.000 2.162 351 E HA 0.016 4.367 4.350 0.002 0.000 0.193 351 E C 1.352 177.952 176.600 0.001 0.000 0.953 351 E CA 0.405 56.804 56.400 -0.001 0.000 0.849 351 E CB -0.241 29.458 29.700 -0.001 0.000 0.810 351 E HN 0.513 nan 8.360 nan 0.000 0.470 352 N N 1.455 120.156 118.700 0.001 0.000 2.515 352 N HA -0.035 4.706 4.740 0.002 0.000 0.191 352 N C 0.687 176.200 175.510 0.006 0.000 1.182 352 N CA 0.121 53.173 53.050 0.003 0.000 0.879 352 N CB 0.190 38.678 38.487 0.003 0.000 0.984 352 N HN -0.090 nan 8.380 nan 0.000 0.453 353 S N 0.540 116.243 115.700 0.005 0.000 2.576 353 S HA 0.013 4.485 4.470 0.002 0.000 0.272 353 S C 0.667 175.275 174.600 0.014 0.000 1.352 353 S CA 0.034 58.240 58.200 0.010 0.000 1.021 353 S CB 0.784 63.989 63.200 0.007 0.000 0.887 353 S HN 0.179 nan 8.310 nan 0.000 0.542 354 D N 0.576 120.988 120.400 0.021 0.000 2.500 354 D HA 0.190 4.832 4.640 0.002 0.000 0.217 354 D C -0.383 175.936 176.300 0.031 0.000 1.159 354 D CA 0.143 54.157 54.000 0.023 0.000 0.828 354 D CB 0.786 41.599 40.800 0.021 0.000 1.039 354 D HN 0.346 nan 8.370 nan 0.000 0.512 355 S N 0.026 115.751 115.700 0.042 0.000 2.549 355 S HA 0.147 4.619 4.470 0.002 0.000 0.280 355 S C 0.197 174.836 174.600 0.065 0.000 1.109 355 S CA -0.574 57.664 58.200 0.063 0.000 0.905 355 S CB 2.575 65.834 63.200 0.099 0.000 1.081 355 S HN -0.155 nan 8.310 nan 0.000 0.477 356 D N 1.263 121.709 120.400 0.077 0.000 2.194 356 D HA -0.080 4.561 4.640 0.002 0.000 0.204 356 D C 1.249 177.603 176.300 0.091 0.000 0.964 356 D CA 0.930 54.969 54.000 0.066 0.000 0.846 356 D CB 0.019 40.855 40.800 0.060 0.000 0.962 356 D HN 0.694 nan 8.370 nan 0.000 0.490 357 Y N 1.681 121.981 120.300 0.000 0.000 2.133 357 Y HA -0.176 4.374 4.550 -0.000 0.000 0.287 357 Y C 1.899 177.798 175.900 -0.001 0.000 1.134 357 Y CA 2.127 60.227 58.100 -0.000 0.000 1.133 357 Y CB -0.482 37.979 38.460 0.002 0.000 0.987 357 Y HN -0.120 nan 8.280 nan 0.000 0.502 358 D N -0.421 120.011 120.400 0.052 0.000 2.263 358 D HA -0.178 4.463 4.640 0.002 0.000 0.208 358 D C 2.282 178.541 176.300 -0.069 0.000 0.971 358 D CA 1.087 55.063 54.000 -0.040 0.000 0.867 358 D CB -0.157 40.675 40.800 0.053 0.000 0.929 358 D HN 0.313 nan 8.370 nan 0.000 0.492 359 R N 0.007 120.485 120.500 -0.037 0.000 2.075 359 R HA 0.001 4.342 4.340 0.002 0.000 0.226 359 R C 2.034 178.296 176.300 -0.062 0.000 1.114 359 R CA 1.156 57.235 56.100 -0.034 0.000 0.972 359 R CB 0.040 30.336 30.300 -0.008 0.000 0.869 359 R HN 0.213 nan 8.270 nan 0.000 0.437 360 E N -0.104 120.044 120.200 -0.086 0.000 2.204 360 E HA -0.136 4.215 4.350 0.002 0.000 0.194 360 E C 1.752 178.263 176.600 -0.147 0.000 0.989 360 E CA 0.658 56.997 56.400 -0.101 0.000 0.824 360 E CB 0.244 29.891 29.700 -0.089 0.000 0.756 360 E HN 0.152 nan 8.360 nan 0.000 0.477 361 K N 0.675 120.941 120.400 -0.222 0.000 2.007 361 K HA -0.065 4.256 4.320 0.002 0.000 0.206 361 K C 2.238 178.762 176.600 -0.126 0.000 1.047 361 K CA 0.715 56.871 56.287 -0.218 0.000 0.937 361 K CB -0.386 31.929 32.500 -0.308 0.000 0.718 361 K HN 0.165 nan 8.250 nan 0.000 0.438 362 L N 1.234 122.397 121.223 -0.100 0.000 2.131 362 L HA -0.196 4.146 4.340 0.002 0.000 0.210 362 L C 2.817 179.656 176.870 -0.051 0.000 1.092 362 L CA 1.145 55.947 54.840 -0.063 0.000 0.759 362 L CB -0.354 41.677 42.059 -0.047 0.000 0.903 362 L HN 0.301 nan 8.230 nan 0.000 0.435 363 Q N 0.354 120.121 119.800 -0.055 0.000 2.084 363 Q HA -0.255 4.087 4.340 0.002 0.000 0.202 363 Q C 2.091 178.067 176.000 -0.039 0.000 0.978 363 Q CA 2.104 57.882 55.803 -0.041 0.000 0.844 363 Q CB 0.066 28.780 28.738 -0.040 0.000 0.898 363 Q HN 0.694 nan 8.270 nan 0.000 0.426 364 E N -0.490 119.680 120.200 -0.050 0.000 2.158 364 E HA -0.187 4.165 4.350 0.002 0.000 0.191 364 E C 2.054 178.633 176.600 -0.034 0.000 0.982 364 E CA 0.425 56.800 56.400 -0.042 0.000 0.823 364 E CB -0.304 29.366 29.700 -0.049 0.000 0.766 364 E HN 0.193 nan 8.360 nan 0.000 0.468 365 R N 0.893 121.368 120.500 -0.042 0.000 2.081 365 R HA -0.073 4.268 4.340 0.002 0.000 0.235 365 R C 2.492 178.778 176.300 -0.023 0.000 1.131 365 R CA 1.273 57.353 56.100 -0.034 0.000 0.960 365 R CB -0.247 30.026 30.300 -0.043 0.000 0.856 365 R HN 0.346 nan 8.270 nan 0.000 0.436 366 L N 0.126 121.335 121.223 -0.024 0.000 2.156 366 L HA -0.016 4.325 4.340 0.002 0.000 0.208 366 L C 2.289 179.151 176.870 -0.014 0.000 1.095 366 L CA 1.398 56.228 54.840 -0.017 0.000 0.770 366 L CB -0.297 41.751 42.059 -0.018 0.000 0.914 366 L HN 0.252 nan 8.230 nan 0.000 0.439 367 A N 0.197 123.007 122.820 -0.016 0.000 1.978 367 A HA -0.234 4.087 4.320 0.002 0.000 0.220 367 A C 2.224 179.803 177.584 -0.008 0.000 1.170 367 A CA 1.942 53.971 52.037 -0.013 0.000 0.636 367 A CB -0.341 18.649 19.000 -0.017 0.000 0.810 367 A HN 0.515 nan 8.150 nan 0.000 0.448 368 K N -0.541 119.857 120.400 -0.004 0.000 1.995 368 K HA 0.092 4.413 4.320 0.002 0.000 0.207 368 K C 1.927 178.530 176.600 0.006 0.000 1.041 368 K CA 1.069 57.359 56.287 0.005 0.000 0.942 368 K CB -0.506 32.004 32.500 0.017 0.000 0.731 368 K HN 0.365 nan 8.250 nan 0.000 0.439 369 L N 1.042 122.268 121.223 0.005 0.000 2.010 369 L HA -0.309 4.032 4.340 0.002 0.000 0.219 369 L C 2.588 179.459 176.870 0.002 0.000 1.077 369 L CA 1.694 56.536 54.840 0.004 0.000 0.773 369 L CB -0.480 41.579 42.059 -0.000 0.000 0.892 369 L HN 0.332 nan 8.230 nan 0.000 0.436 370 A N -0.730 122.089 122.820 -0.002 0.000 1.970 370 A HA -0.019 4.303 4.320 0.002 0.000 0.216 370 A C 2.301 179.883 177.584 -0.003 0.000 1.170 370 A CA 1.191 53.226 52.037 -0.003 0.000 0.645 370 A CB -0.954 18.043 19.000 -0.005 0.000 0.816 370 A HN 0.475 nan 8.150 nan 0.000 0.447 371 G N -0.707 108.090 108.800 -0.004 0.000 2.448 371 G HA2 0.311 4.273 3.960 0.002 0.000 0.219 371 G HA3 0.311 4.273 3.960 0.002 0.000 0.219 371 G C 1.216 176.113 174.900 -0.004 0.000 1.127 371 G CA 0.811 45.908 45.100 -0.005 0.000 0.766 371 G HN 1.614 nan 8.290 nan 0.000 0.552 372 G N -1.569 107.230 108.800 -0.002 0.000 2.641 372 G HA2 -0.046 3.915 3.960 0.002 0.000 0.254 372 G HA3 -0.046 3.915 3.960 0.002 0.000 0.254 372 G C -0.511 174.386 174.900 -0.005 0.000 1.315 372 G CA -0.095 45.004 45.100 -0.002 0.000 0.907 372 G HN 1.107 nan 8.290 nan 0.000 0.572 373 V N 0.507 120.416 119.914 -0.007 0.000 2.509 373 V HA 0.665 4.787 4.120 0.002 0.000 0.289 373 V C 0.732 176.819 176.094 -0.013 0.000 1.026 373 V CA -0.057 62.236 62.300 -0.011 0.000 0.872 373 V CB 0.862 32.677 31.823 -0.012 0.000 1.017 373 V HN 2.078 nan 8.190 nan 0.000 0.436 374 A N 4.676 127.488 122.820 -0.014 0.000 2.445 374 A HA 0.734 5.056 4.320 0.002 0.000 0.242 374 A C -0.253 177.321 177.584 -0.017 0.000 1.075 374 A CA -0.099 51.929 52.037 -0.015 0.000 0.777 374 A CB 0.652 19.642 19.000 -0.016 0.000 1.013 374 A HN 0.901 nan 8.150 nan 0.000 0.493 375 V N 2.687 122.591 119.914 -0.016 0.000 2.638 375 V HA 0.408 4.529 4.120 0.002 0.000 0.306 375 V C -0.484 175.600 176.094 -0.018 0.000 1.052 375 V CA -0.170 62.120 62.300 -0.017 0.000 0.885 375 V CB 1.627 33.441 31.823 -0.016 0.000 0.999 375 V HN 0.711 nan 8.190 nan 0.000 0.424 376 I N 4.297 124.855 120.570 -0.020 0.000 2.390 376 I HA 0.397 4.568 4.170 0.002 0.000 0.283 376 I C 0.053 176.156 176.117 -0.023 0.000 1.016 376 I CA -0.525 60.761 61.300 -0.023 0.000 1.151 376 I CB 1.303 39.288 38.000 -0.026 0.000 1.293 376 I HN 0.522 nan 8.210 nan 0.000 0.458 377 K N 5.112 125.498 120.400 -0.024 0.000 2.234 377 K HA 0.648 4.969 4.320 0.002 0.000 0.282 377 K C -0.110 176.469 176.600 -0.034 0.000 1.039 377 K CA -0.391 55.883 56.287 -0.023 0.000 0.928 377 K CB 1.870 34.360 32.500 -0.017 0.000 1.039 377 K HN 0.630 nan 8.250 nan 0.000 0.470 378 A N 2.014 124.815 122.820 -0.033 0.000 2.303 378 A HA 0.533 4.855 4.320 0.002 0.000 0.317 378 A C 0.249 177.801 177.584 -0.054 0.000 1.149 378 A CA -0.572 51.436 52.037 -0.048 0.000 0.822 378 A CB 0.930 19.908 19.000 -0.037 0.000 1.131 378 A HN 0.770 nan 8.150 nan 0.000 0.493 379 G N 0.703 109.444 108.800 -0.098 0.000 2.361 379 G HA2 0.550 4.512 3.960 0.002 0.000 0.260 379 G HA3 0.550 4.512 3.960 0.002 0.000 0.260 379 G C 0.487 175.357 174.900 -0.050 0.000 1.261 379 G CA 0.393 45.424 45.100 -0.115 0.000 0.897 379 G HN 1.331 nan 8.290 nan 0.000 0.499 380 A N 1.859 124.688 122.820 0.015 0.000 2.366 380 A HA 0.723 5.044 4.320 0.002 0.000 0.250 380 A C 1.195 178.826 177.584 0.078 0.000 1.099 380 A CA 0.973 53.036 52.037 0.044 0.000 0.794 380 A CB 0.751 19.785 19.000 0.057 0.000 1.056 380 A HN 2.185 nan 8.150 nan 0.000 0.499 381 A N -1.095 121.763 122.820 0.064 0.000 3.445 381 A HA 0.406 4.728 4.320 0.002 0.000 0.184 381 A C 0.482 178.092 177.584 0.044 0.000 1.331 381 A CA 1.098 53.178 52.037 0.072 0.000 1.364 381 A CB -0.594 18.451 19.000 0.077 0.000 1.117 381 A HN 2.170 nan 8.150 nan 0.000 0.502 382 T N -0.916 113.656 114.554 0.031 0.000 2.956 382 T HA 0.506 4.857 4.350 0.002 0.000 0.312 382 T C 0.441 175.149 174.700 0.014 0.000 1.151 382 T CA 0.308 62.421 62.100 0.021 0.000 1.024 382 T CB 1.738 70.617 68.868 0.019 0.000 1.140 382 T HN 0.619 nan 8.240 nan 0.000 0.473 383 E N 1.622 121.828 120.200 0.010 0.000 2.136 383 E HA -0.219 4.132 4.350 0.002 0.000 0.202 383 E C 1.622 178.224 176.600 0.004 0.000 1.019 383 E CA 1.754 58.157 56.400 0.006 0.000 0.819 383 E CB -0.790 28.911 29.700 0.003 0.000 0.739 383 E HN 0.447 nan 8.360 nan 0.000 0.458 384 V N 0.903 120.820 119.914 0.005 0.000 2.515 384 V HA -0.210 3.912 4.120 0.002 0.000 0.250 384 V C 2.363 178.461 176.094 0.007 0.000 1.058 384 V CA 2.066 64.368 62.300 0.004 0.000 1.064 384 V CB -0.584 31.242 31.823 0.005 0.000 0.675 384 V HN 0.272 nan 8.190 nan 0.000 0.461 385 E N 0.139 120.344 120.200 0.008 0.000 2.021 385 E HA -0.103 4.249 4.350 0.002 0.000 0.189 385 E C 2.275 178.878 176.600 0.005 0.000 0.980 385 E CA 0.811 57.215 56.400 0.007 0.000 0.803 385 E CB -0.095 29.610 29.700 0.009 0.000 0.766 385 E HN 0.469 nan 8.360 nan 0.000 0.449 386 L N 1.315 122.540 121.223 0.004 0.000 1.976 386 L HA -0.339 4.002 4.340 0.002 0.000 0.223 386 L C 2.779 179.653 176.870 0.006 0.000 1.081 386 L CA 1.844 56.685 54.840 0.001 0.000 0.784 386 L CB -0.638 41.422 42.059 0.003 0.000 0.896 386 L HN 0.186 nan 8.230 nan 0.000 0.438 387 K N -0.121 120.282 120.400 0.006 0.000 2.001 387 K HA -0.322 4.000 4.320 0.002 0.000 0.223 387 K C 2.140 178.758 176.600 0.030 0.000 1.055 387 K CA 2.344 58.636 56.287 0.007 0.000 0.965 387 K CB -0.395 32.102 32.500 -0.005 0.000 0.730 387 K HN 0.289 nan 8.250 nan 0.000 0.449 388 E N 0.999 121.219 120.200 0.032 0.000 2.070 388 E HA -0.269 4.083 4.350 0.002 0.000 0.197 388 E C 2.141 178.778 176.600 0.062 0.000 1.004 388 E CA 1.596 58.033 56.400 0.061 0.000 0.805 388 E CB -0.194 29.529 29.700 0.039 0.000 0.744 388 E HN 0.315 nan 8.360 nan 0.000 0.451 389 R N 0.636 121.151 120.500 0.025 0.000 2.127 389 R HA -0.115 4.226 4.340 0.002 0.000 0.238 389 R C 2.619 178.923 176.300 0.008 0.000 1.134 389 R CA 1.678 57.779 56.100 0.003 0.000 0.975 389 R CB -0.125 30.164 30.300 -0.017 0.000 0.865 389 R HN 0.012 nan 8.270 nan 0.000 0.447 390 K N -0.812 119.604 120.400 0.028 0.000 2.148 390 K HA -0.201 4.121 4.320 0.002 0.000 0.204 390 K C 1.713 178.360 176.600 0.078 0.000 1.050 390 K CA 1.600 57.908 56.287 0.034 0.000 0.942 390 K CB -0.089 32.429 32.500 0.030 0.000 0.724 390 K HN 0.281 nan 8.250 nan 0.000 0.446 391 H N 0.407 119.464 119.070 -0.021 0.000 2.384 391 H HA 0.084 4.641 4.556 0.002 0.000 0.300 391 H C 1.849 177.164 175.328 -0.021 0.000 1.057 391 H CA 1.267 57.303 56.048 -0.020 0.000 1.370 391 H CB 0.275 30.027 29.762 -0.017 0.000 1.417 391 H HN -0.004 nan 8.280 nan 0.000 0.527 392 R N 0.336 120.795 120.500 -0.068 0.000 2.073 392 R HA -0.045 4.297 4.340 0.002 0.000 0.234 392 R C 2.556 178.783 176.300 -0.120 0.000 1.134 392 R CA 1.520 57.541 56.100 -0.131 0.000 0.952 392 R CB -0.890 29.373 30.300 -0.061 0.000 0.850 392 R HN 0.424 nan 8.270 nan 0.000 0.433 393 I N 0.450 120.976 120.570 -0.073 0.000 2.127 393 I HA -0.285 3.886 4.170 0.002 0.000 0.241 393 I C 2.060 178.134 176.117 -0.071 0.000 1.075 393 I CA 1.498 62.761 61.300 -0.063 0.000 1.334 393 I CB -0.441 37.533 38.000 -0.043 0.000 1.040 393 I HN 0.246 nan 8.210 nan 0.000 0.405 394 E N 0.813 120.974 120.200 -0.064 0.000 2.097 394 E HA -0.264 4.087 4.350 0.002 0.000 0.196 394 E C 1.782 178.320 176.600 -0.104 0.000 1.000 394 E CA 1.610 57.978 56.400 -0.054 0.000 0.804 394 E CB -0.134 29.574 29.700 0.013 0.000 0.740 394 E HN 0.493 nan 8.360 nan 0.000 0.454 395 D N 0.042 120.317 120.400 -0.208 0.000 2.117 395 D HA -0.102 4.540 4.640 0.002 0.000 0.198 395 D C 1.894 178.120 176.300 -0.124 0.000 0.982 395 D CA 1.159 55.032 54.000 -0.211 0.000 0.828 395 D CB -0.186 40.416 40.800 -0.330 0.000 0.967 395 D HN 0.138 nan 8.370 nan 0.000 0.464 396 A N 0.729 123.483 122.820 -0.110 0.000 2.019 396 A HA -0.125 4.196 4.320 0.002 0.000 0.219 396 A C 2.508 180.057 177.584 -0.059 0.000 1.164 396 A CA 1.010 53.001 52.037 -0.076 0.000 0.644 396 A CB -0.548 18.411 19.000 -0.068 0.000 0.805 396 A HN 0.136 nan 8.150 nan 0.000 0.449 397 V N 1.123 121.002 119.914 -0.058 0.000 2.270 397 V HA -0.261 3.860 4.120 0.002 0.000 0.245 397 V C 2.690 178.760 176.094 -0.041 0.000 1.043 397 V CA 2.191 64.464 62.300 -0.044 0.000 1.014 397 V CB -0.837 30.963 31.823 -0.039 0.000 0.645 397 V HN 0.812 nan 8.190 nan 0.000 0.447 398 R N 0.515 120.988 120.500 -0.045 0.000 2.189 398 R HA -0.077 4.264 4.340 0.002 0.000 0.218 398 R C 1.863 178.140 176.300 -0.039 0.000 1.074 398 R CA 1.690 57.767 56.100 -0.038 0.000 0.991 398 R CB -0.597 29.681 30.300 -0.036 0.000 0.883 398 R HN 0.443 nan 8.270 nan 0.000 0.457 399 N N 1.426 120.098 118.700 -0.047 0.000 2.171 399 N HA -0.021 4.720 4.740 0.002 0.000 0.184 399 N C 1.710 177.199 175.510 -0.036 0.000 1.021 399 N CA 1.606 54.630 53.050 -0.043 0.000 0.854 399 N CB -0.062 38.394 38.487 -0.051 0.000 0.994 399 N HN 0.359 nan 8.380 nan 0.000 0.426 400 A N 0.027 122.825 122.820 -0.037 0.000 2.014 400 A HA -0.034 4.288 4.320 0.002 0.000 0.218 400 A C 2.043 179.610 177.584 -0.027 0.000 1.163 400 A CA 1.015 53.033 52.037 -0.031 0.000 0.652 400 A CB -0.320 18.661 19.000 -0.032 0.000 0.808 400 A HN 0.246 nan 8.150 nan 0.000 0.449 401 K N -0.532 119.852 120.400 -0.028 0.000 2.296 401 K HA 0.101 4.423 4.320 0.002 0.000 0.200 401 K C 1.939 178.525 176.600 -0.022 0.000 1.048 401 K CA 0.807 57.079 56.287 -0.025 0.000 0.966 401 K CB -0.137 32.348 32.500 -0.025 0.000 0.754 401 K HN 0.410 nan 8.250 nan 0.000 0.466 402 A N 0.585 123.391 122.820 -0.024 0.000 1.935 402 A HA 0.100 4.422 4.320 0.002 0.000 0.214 402 A C 2.209 179.781 177.584 -0.020 0.000 1.178 402 A CA 1.124 53.148 52.037 -0.022 0.000 0.640 402 A CB -0.416 18.570 19.000 -0.023 0.000 0.825 402 A HN 0.332 nan 8.150 nan 0.000 0.447 403 A N -0.268 122.539 122.820 -0.022 0.000 1.877 403 A HA -0.053 4.268 4.320 0.002 0.000 0.216 403 A C 2.127 179.700 177.584 -0.018 0.000 1.186 403 A CA 1.869 53.894 52.037 -0.020 0.000 0.620 403 A CB -0.981 18.005 19.000 -0.023 0.000 0.822 403 A HN 0.404 nan 8.150 nan 0.000 0.443 404 V N 0.130 120.033 119.914 -0.018 0.000 2.720 404 V HA -0.220 3.901 4.120 0.002 0.000 0.256 404 V C 2.418 178.503 176.094 -0.014 0.000 1.082 404 V CA 2.133 64.423 62.300 -0.016 0.000 1.101 404 V CB -0.599 31.214 31.823 -0.016 0.000 0.693 404 V HN 0.759 nan 8.190 nan 0.000 0.479 405 E N -0.089 120.102 120.200 -0.015 0.000 2.112 405 E HA -0.164 4.188 4.350 0.002 0.000 0.190 405 E C 1.868 178.461 176.600 -0.011 0.000 0.979 405 E CA 1.251 57.643 56.400 -0.013 0.000 0.814 405 E CB 0.199 29.890 29.700 -0.014 0.000 0.762 405 E HN 0.691 nan 8.360 nan 0.000 0.460 406 E N -1.423 118.770 120.200 -0.012 0.000 2.603 406 E HA 0.230 4.581 4.350 0.002 0.000 0.224 406 E C 0.000 176.594 176.600 -0.011 0.000 0.896 406 E CA 0.211 56.605 56.400 -0.011 0.000 1.224 406 E CB 1.802 31.496 29.700 -0.011 0.000 1.206 406 E HN 0.288 nan 8.360 nan 0.000 0.576 407 G N 1.500 110.292 108.800 -0.012 0.000 2.422 407 G HA2 -0.092 3.869 3.960 0.002 0.000 0.607 407 G HA3 -0.092 3.869 3.960 0.002 0.000 0.607 407 G C -0.941 173.950 174.900 -0.015 0.000 1.270 407 G CA -0.472 44.620 45.100 -0.013 0.000 0.992 407 G HN 0.160 nan 8.290 nan 0.000 0.499 408 I N -2.186 118.375 120.570 -0.016 0.000 2.892 408 I HA 0.919 5.091 4.170 0.002 0.000 0.306 408 I C 0.268 176.375 176.117 -0.017 0.000 1.078 408 I CA -1.468 59.821 61.300 -0.018 0.000 1.032 408 I CB 2.074 40.061 38.000 -0.021 0.000 1.229 408 I HN 1.340 nan 8.210 nan 0.000 0.435 409 V N 1.022 120.925 119.914 -0.018 0.000 2.962 409 V HA 0.894 5.016 4.120 0.002 0.000 0.313 409 V C 0.512 176.593 176.094 -0.022 0.000 1.099 409 V CA -0.702 61.588 62.300 -0.017 0.000 0.971 409 V CB 1.184 33.000 31.823 -0.012 0.000 1.028 409 V HN 1.287 nan 8.190 nan 0.000 0.430 410 A N 2.078 124.884 122.820 -0.023 0.000 2.632 410 A HA 0.406 4.727 4.320 0.002 0.000 0.231 410 A C 1.155 178.723 177.584 -0.027 0.000 1.027 410 A CA 1.035 53.054 52.037 -0.030 0.000 0.759 410 A CB -0.802 18.185 19.000 -0.022 0.000 0.939 410 A HN 2.291 nan 8.150 nan 0.000 0.505 411 G N 0.864 109.643 108.800 -0.034 0.000 2.529 411 G HA2 0.576 4.537 3.960 0.002 0.000 0.277 411 G HA3 0.576 4.537 3.960 0.002 0.000 0.277 411 G C 1.112 175.996 174.900 -0.028 0.000 1.383 411 G CA 0.298 45.378 45.100 -0.032 0.000 1.050 411 G HN 2.472 nan 8.290 nan 0.000 0.526 412 G N -1.384 107.399 108.800 -0.029 0.000 2.622 412 G HA2 0.201 4.163 3.960 0.002 0.000 0.272 412 G HA3 0.201 4.163 3.960 0.002 0.000 0.272 412 G C 1.039 175.931 174.900 -0.014 0.000 1.308 412 G CA 0.508 45.593 45.100 -0.025 0.000 0.919 412 G HN 1.799 nan 8.290 nan 0.000 0.565 413 G N -1.345 107.450 108.800 -0.007 0.000 3.518 413 G HA2 0.434 4.396 3.960 0.002 0.000 0.273 413 G HA3 0.434 4.396 3.960 0.002 0.000 0.273 413 G C 1.342 176.247 174.900 0.008 0.000 1.199 413 G CA 1.157 46.257 45.100 0.000 0.000 0.899 413 G HN 0.946 nan 8.290 nan 0.000 0.533 414 V N 0.094 120.013 119.914 0.008 0.000 2.323 414 V HA -0.166 3.955 4.120 0.002 0.000 0.244 414 V C 2.996 179.102 176.094 0.020 0.000 1.041 414 V CA 2.314 64.627 62.300 0.022 0.000 1.025 414 V CB -0.643 31.194 31.823 0.023 0.000 0.656 414 V HN 0.465 nan 8.190 nan 0.000 0.451 415 T N -0.330 114.230 114.554 0.010 0.000 2.778 415 T HA -0.175 4.177 4.350 0.002 0.000 0.269 415 T C 1.720 176.425 174.700 0.008 0.000 1.050 415 T CA 1.660 63.765 62.100 0.008 0.000 1.137 415 T CB -0.268 68.600 68.868 -0.001 0.000 0.860 415 T HN 0.370 nan 8.240 nan 0.000 0.468 416 L N -0.173 121.053 121.223 0.006 0.000 2.270 416 L HA 0.157 4.499 4.340 0.002 0.000 0.210 416 L C 2.501 179.376 176.870 0.009 0.000 1.104 416 L CA 0.403 55.246 54.840 0.004 0.000 0.804 416 L CB -0.285 41.774 42.059 -0.001 0.000 0.937 416 L HN 0.296 nan 8.230 nan 0.000 0.450 417 L N -0.453 120.780 121.223 0.016 0.000 1.988 417 L HA -0.191 4.151 4.340 0.002 0.000 0.207 417 L C 1.861 178.743 176.870 0.020 0.000 1.071 417 L CA 1.322 56.174 54.840 0.021 0.000 0.744 417 L CB -0.281 41.796 42.059 0.031 0.000 0.893 417 L HN 0.300 nan 8.230 nan 0.000 0.433 418 Q N -0.318 119.497 119.800 0.024 0.000 2.408 418 Q HA 0.015 4.357 4.340 0.002 0.000 0.214 418 Q C 1.296 177.305 176.000 0.016 0.000 0.957 418 Q CA 0.381 56.198 55.803 0.023 0.000 0.965 418 Q CB 0.059 28.815 28.738 0.030 0.000 0.991 418 Q HN 0.445 nan 8.270 nan 0.000 0.505 419 A N -0.030 122.797 122.820 0.013 0.000 2.167 419 A HA 0.327 4.649 4.320 0.002 0.000 0.208 419 A C 2.078 179.666 177.584 0.007 0.000 1.198 419 A CA 0.633 52.675 52.037 0.008 0.000 0.863 419 A CB 0.030 19.033 19.000 0.005 0.000 0.904 419 A HN 0.385 nan 8.150 nan 0.000 0.484 420 A N 1.144 123.969 122.820 0.008 0.000 1.877 420 A HA 0.011 4.332 4.320 0.002 0.000 0.216 420 A C -0.208 177.380 177.584 0.007 0.000 1.186 420 A CA 1.714 53.755 52.037 0.007 0.000 0.620 420 A CB -1.646 17.359 19.000 0.008 0.000 0.822 420 A HN 0.381 nan 8.150 nan 0.000 0.443 421 P HA -0.039 nan 4.420 nan 0.000 0.234 421 P C 0.660 177.964 177.300 0.006 0.000 1.162 421 P CA 1.271 64.375 63.100 0.007 0.000 0.759 421 P CB -0.115 31.590 31.700 0.008 0.000 0.813 422 T N -1.786 112.771 114.554 0.006 0.000 3.060 422 T HA 0.162 4.513 4.350 0.002 0.000 0.249 422 T C 1.447 176.150 174.700 0.004 0.000 1.079 422 T CA 0.245 62.348 62.100 0.005 0.000 1.013 422 T CB -0.261 68.609 68.868 0.005 0.000 0.975 422 T HN 0.115 nan 8.240 nan 0.000 0.518 423 L N 0.720 121.945 121.223 0.004 0.000 2.179 423 L HA 0.020 4.361 4.340 0.002 0.000 0.208 423 L C 2.233 179.105 176.870 0.003 0.000 1.096 423 L CA 0.849 55.691 54.840 0.003 0.000 0.779 423 L CB -0.349 41.711 42.059 0.003 0.000 0.922 423 L HN 0.135 nan 8.230 nan 0.000 0.443 424 D N 0.747 121.149 120.400 0.004 0.000 2.218 424 D HA -0.170 4.472 4.640 0.002 0.000 0.204 424 D C 1.420 177.722 176.300 0.003 0.000 0.976 424 D CA 1.082 55.084 54.000 0.003 0.000 0.853 424 D CB 0.016 40.818 40.800 0.004 0.000 0.939 424 D HN 0.496 nan 8.370 nan 0.000 0.481 425 E N 0.119 120.321 120.200 0.003 0.000 2.485 425 E HA 0.061 4.412 4.350 0.002 0.000 0.194 425 E C 0.446 177.047 176.600 0.003 0.000 1.098 425 E CA 0.024 56.426 56.400 0.003 0.000 0.878 425 E CB 0.224 29.926 29.700 0.003 0.000 0.939 425 E HN 0.283 nan 8.360 nan 0.000 0.503 426 L N 0.526 121.750 121.223 0.003 0.000 2.347 426 L HA 0.300 4.642 4.340 0.002 0.000 0.268 426 L C 0.445 177.317 176.870 0.003 0.000 1.019 426 L CA -1.200 53.642 54.840 0.003 0.000 0.806 426 L CB 0.777 42.838 42.059 0.003 0.000 1.339 426 L HN -0.102 nan 8.230 nan 0.000 0.463 427 K N 1.205 121.607 120.400 0.003 0.000 2.307 427 K HA 0.341 4.662 4.320 0.002 0.000 0.240 427 K C -0.953 175.649 176.600 0.003 0.000 1.214 427 K CA -0.160 56.128 56.287 0.003 0.000 1.149 427 K CB -0.662 31.840 32.500 0.003 0.000 1.668 427 K HN 0.364 nan 8.250 nan 0.000 0.314 428 L N 3.308 124.533 121.223 0.003 0.000 2.742 428 L HA -0.025 4.316 4.340 0.002 0.000 0.275 428 L C 0.061 176.933 176.870 0.004 0.000 1.141 428 L CA 0.217 55.060 54.840 0.004 0.000 0.987 428 L CB -0.957 41.104 42.059 0.004 0.000 1.319 428 L HN 0.622 nan 8.230 nan 0.000 0.478 429 E N 2.155 122.357 120.200 0.004 0.000 2.238 429 E HA 0.702 5.053 4.350 0.002 0.000 0.267 429 E C 0.684 177.287 176.600 0.005 0.000 0.887 429 E CA -0.271 56.132 56.400 0.004 0.000 0.769 429 E CB 1.697 31.399 29.700 0.004 0.000 1.187 429 E HN 0.424 nan 8.360 nan 0.000 0.416 430 G N 3.160 111.963 108.800 0.005 0.000 2.672 430 G HA2 -0.448 3.514 3.960 0.002 0.000 0.356 430 G HA3 -0.448 3.514 3.960 0.002 0.000 0.356 430 G C 0.684 175.587 174.900 0.006 0.000 1.312 430 G CA 0.903 46.006 45.100 0.005 0.000 0.980 430 G HN 0.739 nan 8.290 nan 0.000 0.540 431 D N 0.728 121.132 120.400 0.007 0.000 2.104 431 D HA -0.060 4.582 4.640 0.002 0.000 0.194 431 D C 2.488 178.793 176.300 0.009 0.000 0.994 431 D CA 1.643 55.648 54.000 0.009 0.000 0.830 431 D CB -0.357 40.449 40.800 0.010 0.000 0.959 431 D HN 0.736 nan 8.370 nan 0.000 0.452 432 E N 0.825 121.030 120.200 0.008 0.000 2.070 432 E HA -0.188 4.163 4.350 0.002 0.000 0.197 432 E C 2.165 178.768 176.600 0.006 0.000 1.004 432 E CA 1.047 57.452 56.400 0.007 0.000 0.805 432 E CB -0.117 29.586 29.700 0.006 0.000 0.744 432 E HN 0.192 nan 8.360 nan 0.000 0.451 433 A N 1.114 123.938 122.820 0.006 0.000 1.917 433 A HA -0.253 4.068 4.320 0.002 0.000 0.219 433 A C 2.406 179.993 177.584 0.006 0.000 1.182 433 A CA 2.260 54.301 52.037 0.005 0.000 0.633 433 A CB -1.064 17.939 19.000 0.005 0.000 0.819 433 A HN 0.237 nan 8.150 nan 0.000 0.448 434 T N -0.299 114.259 114.554 0.007 0.000 2.674 434 T HA -0.040 4.311 4.350 0.002 0.000 0.265 434 T C 2.043 176.748 174.700 0.008 0.000 1.039 434 T CA 1.515 63.620 62.100 0.008 0.000 1.150 434 T CB -0.909 67.965 68.868 0.010 0.000 0.864 434 T HN 0.607 nan 8.240 nan 0.000 0.427 435 G N 1.346 110.151 108.800 0.009 0.000 2.469 435 G HA2 -0.143 3.819 3.960 0.002 0.000 0.219 435 G HA3 -0.143 3.819 3.960 0.002 0.000 0.219 435 G C 1.818 176.721 174.900 0.004 0.000 1.150 435 G CA 1.019 46.124 45.100 0.008 0.000 0.763 435 G HN 0.614 nan 8.290 nan 0.000 0.561 436 A N 0.734 123.557 122.820 0.004 0.000 2.015 436 A HA -0.037 4.284 4.320 0.002 0.000 0.219 436 A C 2.230 179.816 177.584 0.003 0.000 1.163 436 A CA 1.634 53.673 52.037 0.003 0.000 0.646 436 A CB -0.279 18.723 19.000 0.003 0.000 0.806 436 A HN 0.388 nan 8.150 nan 0.000 0.448 437 N N -0.170 118.533 118.700 0.005 0.000 2.333 437 N HA 0.025 4.766 4.740 0.002 0.000 0.178 437 N C 1.586 177.099 175.510 0.005 0.000 1.018 437 N CA 0.930 53.983 53.050 0.005 0.000 0.882 437 N CB -0.211 38.280 38.487 0.006 0.000 0.984 437 N HN 0.520 nan 8.380 nan 0.000 0.434 438 I N 0.800 121.373 120.570 0.005 0.000 2.335 438 I HA -0.212 3.959 4.170 0.002 0.000 0.251 438 I C 2.008 178.124 176.117 -0.001 0.000 1.129 438 I CA 0.759 62.061 61.300 0.004 0.000 1.402 438 I CB -0.042 37.961 38.000 0.005 0.000 1.069 438 I HN -0.102 nan 8.210 nan 0.000 0.424 439 V N 1.512 121.424 119.914 -0.003 0.000 2.323 439 V HA -0.257 3.865 4.120 0.002 0.000 0.244 439 V C 2.427 178.519 176.094 -0.003 0.000 1.041 439 V CA 2.036 64.332 62.300 -0.006 0.000 1.025 439 V CB -0.788 31.032 31.823 -0.006 0.000 0.656 439 V HN 0.534 nan 8.190 nan 0.000 0.451 440 K N 0.425 120.826 120.400 0.001 0.000 2.360 440 K HA -0.131 4.190 4.320 0.002 0.000 0.201 440 K C 1.703 178.306 176.600 0.005 0.000 1.046 440 K CA 1.677 57.966 56.287 0.003 0.000 0.940 440 K CB -0.301 32.202 32.500 0.005 0.000 0.748 440 K HN 0.352 nan 8.250 nan 0.000 0.465 441 V N 1.185 121.101 119.914 0.003 0.000 2.374 441 V HA -0.045 4.077 4.120 0.002 0.000 0.241 441 V C 2.618 178.712 176.094 -0.000 0.000 1.034 441 V CA 1.497 63.799 62.300 0.004 0.000 1.037 441 V CB -0.435 31.391 31.823 0.004 0.000 0.682 441 V HN 0.507 nan 8.190 nan 0.000 0.463 442 A N 0.178 122.994 122.820 -0.006 0.000 1.908 442 A HA -0.177 4.145 4.320 0.002 0.000 0.218 442 A C 2.156 179.734 177.584 -0.011 0.000 1.181 442 A CA 1.764 53.793 52.037 -0.014 0.000 0.627 442 A CB -0.726 18.261 19.000 -0.022 0.000 0.818 442 A HN 0.505 nan 8.150 nan 0.000 0.445 443 L N -0.994 120.225 121.223 -0.006 0.000 2.349 443 L HA -0.172 4.169 4.340 0.002 0.000 0.220 443 L C 2.190 179.061 176.870 0.003 0.000 1.130 443 L CA 1.496 56.334 54.840 -0.003 0.000 0.791 443 L CB -0.332 41.727 42.059 0.000 0.000 0.918 443 L HN 0.529 nan 8.230 nan 0.000 0.444 444 E N -0.610 119.593 120.200 0.005 0.000 2.463 444 E HA 0.070 4.422 4.350 0.002 0.000 0.193 444 E C 1.842 178.448 176.600 0.010 0.000 1.041 444 E CA 0.376 56.783 56.400 0.013 0.000 0.879 444 E CB 0.363 30.073 29.700 0.017 0.000 0.997 444 E HN 0.399 nan 8.360 nan 0.000 0.478 445 A N 1.221 124.041 122.820 -0.001 0.000 1.935 445 A HA 0.077 4.398 4.320 0.002 0.000 0.214 445 A C -0.547 177.033 177.584 -0.007 0.000 1.178 445 A CA 0.317 52.349 52.037 -0.008 0.000 0.640 445 A CB -0.956 18.031 19.000 -0.022 0.000 0.825 445 A HN 0.176 nan 8.150 nan 0.000 0.447 446 P HA -0.157 nan 4.420 nan 0.000 0.215 446 P C 1.646 178.948 177.300 0.005 0.000 1.157 446 P CA 0.859 63.955 63.100 -0.006 0.000 0.868 446 P CB -0.029 31.667 31.700 -0.007 0.000 0.788 447 L N -0.382 120.849 121.223 0.013 0.000 2.056 447 L HA -0.103 4.239 4.340 0.002 0.000 0.207 447 L C 1.976 178.869 176.870 0.038 0.000 1.078 447 L CA 1.993 56.846 54.840 0.022 0.000 0.749 447 L CB -1.162 40.916 42.059 0.030 0.000 0.901 447 L HN -0.230 nan 8.230 nan 0.000 0.433 448 K N -0.367 120.058 120.400 0.042 0.000 2.044 448 K HA -0.218 4.104 4.320 0.002 0.000 0.210 448 K C 2.068 178.724 176.600 0.093 0.000 1.049 448 K CA 1.538 57.865 56.287 0.066 0.000 0.927 448 K CB -0.509 32.018 32.500 0.046 0.000 0.713 448 K HN 0.455 nan 8.250 nan 0.000 0.443 449 Q N 0.562 120.392 119.800 0.050 0.000 2.030 449 Q HA -0.096 4.246 4.340 0.002 0.000 0.204 449 Q C 2.391 178.455 176.000 0.107 0.000 0.986 449 Q CA 1.254 57.092 55.803 0.058 0.000 0.843 449 Q CB -0.539 28.200 28.738 0.002 0.000 0.904 449 Q HN 0.393 nan 8.270 nan 0.000 0.420 450 I N 0.665 121.272 120.570 0.061 0.000 2.151 450 I HA -0.339 3.832 4.170 0.002 0.000 0.243 450 I C 2.353 178.507 176.117 0.062 0.000 1.080 450 I CA 1.297 62.625 61.300 0.046 0.000 1.339 450 I CB -0.477 37.530 38.000 0.012 0.000 1.039 450 I HN 0.120 nan 8.210 nan 0.000 0.409 451 A N 0.415 123.279 122.820 0.073 0.000 1.883 451 A HA -0.289 4.032 4.320 0.002 0.000 0.217 451 A C 2.254 179.895 177.584 0.095 0.000 1.186 451 A CA 1.632 53.712 52.037 0.072 0.000 0.624 451 A CB -1.183 17.868 19.000 0.084 0.000 0.822 451 A HN 0.454 nan 8.150 nan 0.000 0.444 452 F N 1.331 121.284 119.950 0.004 0.000 2.236 452 F HA -0.238 4.291 4.527 0.002 0.000 0.302 452 F C 2.121 177.922 175.800 0.001 0.000 1.073 452 F CA 1.807 59.809 58.000 0.005 0.000 1.336 452 F CB -0.084 38.918 39.000 0.004 0.000 1.040 452 F HN 0.262 nan 8.300 nan 0.000 0.507 453 N N 0.100 118.897 118.700 0.163 0.000 2.085 453 N HA -0.166 4.576 4.740 0.002 0.000 0.191 453 N C 2.095 177.605 175.510 0.000 0.000 1.058 453 N CA 1.918 55.019 53.050 0.086 0.000 0.849 453 N CB -1.176 37.357 38.487 0.078 0.000 1.038 453 N HN 0.288 nan 8.380 nan 0.000 0.434 454 S N 0.024 115.723 115.700 -0.003 0.000 2.520 454 S HA 0.030 4.501 4.470 0.002 0.000 0.249 454 S C 1.080 175.654 174.600 -0.043 0.000 0.983 454 S CA 0.723 58.910 58.200 -0.022 0.000 0.958 454 S CB -0.791 62.396 63.200 -0.021 0.000 0.750 454 S HN 0.628 nan 8.310 nan 0.000 0.527 455 G N 0.575 109.329 108.800 -0.077 0.000 2.689 455 G HA2 -0.104 3.858 3.960 0.002 0.000 0.273 455 G HA3 -0.104 3.858 3.960 0.002 0.000 0.273 455 G C -0.574 174.280 174.900 -0.077 0.000 1.062 455 G CA 0.041 45.070 45.100 -0.119 0.000 1.279 455 G HN 0.562 nan 8.290 nan 0.000 0.547 456 L N -0.926 120.256 121.223 -0.069 0.000 2.389 456 L HA 0.756 5.097 4.340 0.002 0.000 0.249 456 L C 0.136 177.001 176.870 -0.009 0.000 1.083 456 L CA -1.449 53.382 54.840 -0.016 0.000 0.876 456 L CB 1.416 43.491 42.059 0.026 0.000 1.489 456 L HN 0.260 nan 8.230 nan 0.000 0.412 457 E N 1.437 121.652 120.200 0.024 0.000 2.129 457 E HA 0.187 4.539 4.350 0.002 0.000 0.283 457 E C -2.058 174.576 176.600 0.058 0.000 1.080 457 E CA -1.768 54.651 56.400 0.032 0.000 0.867 457 E CB 1.124 30.842 29.700 0.029 0.000 1.056 457 E HN 0.131 nan 8.360 nan 0.000 0.404 458 P HA -0.219 nan 4.420 nan 0.000 0.214 458 P C 1.073 178.416 177.300 0.073 0.000 1.172 458 P CA 2.168 65.324 63.100 0.094 0.000 0.925 458 P CB 0.040 31.804 31.700 0.105 0.000 0.793 459 G N -0.793 108.041 108.800 0.057 0.000 2.433 459 G HA2 -0.220 3.741 3.960 0.002 0.000 0.216 459 G HA3 -0.220 3.741 3.960 0.002 0.000 0.216 459 G C 1.705 176.631 174.900 0.043 0.000 1.186 459 G CA 0.941 46.068 45.100 0.044 0.000 0.779 459 G HN 0.168 nan 8.290 nan 0.000 0.543 460 V N 0.553 120.491 119.914 0.040 0.000 2.287 460 V HA -0.190 3.931 4.120 0.002 0.000 0.248 460 V C 3.065 179.195 176.094 0.059 0.000 1.053 460 V CA 1.585 63.903 62.300 0.030 0.000 1.027 460 V CB -0.469 31.365 31.823 0.019 0.000 0.646 460 V HN 0.242 nan 8.190 nan 0.000 0.447 461 V N 0.313 120.292 119.914 0.109 0.000 2.233 461 V HA -0.309 3.812 4.120 0.002 0.000 0.247 461 V C 2.734 178.928 176.094 0.166 0.000 1.050 461 V CA 2.259 64.677 62.300 0.196 0.000 1.010 461 V CB -1.324 30.594 31.823 0.158 0.000 0.637 461 V HN 0.568 nan 8.190 nan 0.000 0.444 462 A N -0.189 122.694 122.820 0.105 0.000 1.873 462 A HA -0.317 4.005 4.320 0.002 0.000 0.218 462 A C 2.199 179.824 177.584 0.068 0.000 1.193 462 A CA 2.409 54.494 52.037 0.081 0.000 0.629 462 A CB -0.670 18.366 19.000 0.059 0.000 0.826 462 A HN 0.568 nan 8.150 nan 0.000 0.447 463 E N -0.016 120.212 120.200 0.047 0.000 2.038 463 E HA -0.223 4.128 4.350 0.002 0.000 0.195 463 E C 2.016 178.620 176.600 0.007 0.000 1.000 463 E CA 1.990 58.402 56.400 0.021 0.000 0.803 463 E CB -0.256 29.448 29.700 0.006 0.000 0.750 463 E HN 0.461 nan 8.360 nan 0.000 0.448 464 K N -0.098 120.293 120.400 -0.017 0.000 2.044 464 K HA -0.119 4.202 4.320 0.002 0.000 0.210 464 K C 2.012 178.605 176.600 -0.013 0.000 1.049 464 K CA 1.847 58.071 56.287 -0.106 0.000 0.927 464 K CB -0.751 31.547 32.500 -0.338 0.000 0.713 464 K HN 0.119 nan 8.250 nan 0.000 0.443 465 V N 1.070 121.068 119.914 0.141 0.000 2.332 465 V HA -0.213 3.908 4.120 0.002 0.000 0.248 465 V C 2.521 178.671 176.094 0.093 0.000 1.055 465 V CA 2.170 64.582 62.300 0.186 0.000 1.038 465 V CB -0.633 31.311 31.823 0.201 0.000 0.651 465 V HN 0.420 nan 8.190 nan 0.000 0.450 466 R N 0.236 120.774 120.500 0.063 0.000 2.261 466 R HA -0.185 4.156 4.340 0.002 0.000 0.236 466 R C 1.858 178.172 176.300 0.023 0.000 1.141 466 R CA 1.550 57.672 56.100 0.038 0.000 1.001 466 R CB -0.110 30.206 30.300 0.028 0.000 0.866 466 R HN 0.631 nan 8.270 nan 0.000 0.468 467 N N 0.015 118.724 118.700 0.014 0.000 2.428 467 N HA 0.017 4.759 4.740 0.002 0.000 0.181 467 N C 0.531 176.038 175.510 -0.005 0.000 1.028 467 N CA 0.208 53.255 53.050 -0.005 0.000 0.877 467 N CB -0.056 38.414 38.487 -0.028 0.000 1.064 467 N HN 0.068 nan 8.380 nan 0.000 0.434 468 L N 2.618 123.847 121.223 0.010 0.000 2.529 468 L HA 0.039 4.381 4.340 0.002 0.000 0.287 468 L C -1.909 174.958 176.870 -0.006 0.000 1.241 468 L CA -1.088 53.754 54.840 0.003 0.000 0.857 468 L CB -0.481 41.627 42.059 0.082 0.000 1.113 468 L HN -0.061 nan 8.230 nan 0.000 0.504 469 P HA -0.035 nan 4.420 nan 0.000 0.267 469 P C -0.707 176.651 177.300 0.097 0.000 1.201 469 P CA -0.227 62.829 63.100 -0.073 0.000 0.775 469 P CB 0.443 31.975 31.700 -0.281 0.000 0.854 470 A N 2.467 125.345 122.820 0.096 0.000 2.526 470 A HA 0.395 4.717 4.320 0.002 0.000 0.287 470 A C 1.358 179.048 177.584 0.176 0.000 1.232 470 A CA 0.885 52.990 52.037 0.113 0.000 0.900 470 A CB -1.820 17.219 19.000 0.065 0.000 1.077 470 A HN 0.832 nan 8.150 nan 0.000 0.535 471 G N 2.017 110.919 108.800 0.169 0.000 2.198 471 G HA2 -0.082 3.879 3.960 0.002 0.000 0.156 471 G HA3 -0.082 3.879 3.960 0.002 0.000 0.156 471 G C -0.272 174.592 174.900 -0.060 0.000 1.012 471 G CA -0.022 45.113 45.100 0.058 0.000 0.692 471 G HN 0.982 nan 8.290 nan 0.000 0.492 472 H N -0.055 119.031 119.070 0.026 0.000 2.505 472 H HA 0.725 5.282 4.556 0.002 0.000 0.338 472 H C 0.608 175.968 175.328 0.053 0.000 1.057 472 H CA 0.371 56.442 56.048 0.038 0.000 1.202 472 H CB 1.809 31.601 29.762 0.049 0.000 1.466 472 H HN 0.625 nan 8.280 nan 0.000 0.499 473 G N 0.892 109.759 108.800 0.112 0.000 2.706 473 G HA2 0.409 4.371 3.960 0.002 0.000 0.307 473 G HA3 0.409 4.371 3.960 0.002 0.000 0.307 473 G C -1.815 173.032 174.900 -0.088 0.000 1.307 473 G CA -0.840 44.293 45.100 0.055 0.000 0.790 473 G HN 0.514 nan 8.290 nan 0.000 0.503 474 L N 1.786 122.868 121.223 -0.236 0.000 2.318 474 L HA 0.480 4.822 4.340 0.002 0.000 0.277 474 L C 0.101 176.828 176.870 -0.238 0.000 1.008 474 L CA -0.916 53.666 54.840 -0.430 0.000 0.846 474 L CB 0.996 42.496 42.059 -0.932 0.000 1.220 474 L HN 0.594 nan 8.230 nan 0.000 0.423 475 N N 3.562 122.161 118.700 -0.168 0.000 2.503 475 N HA 0.203 4.945 4.740 0.002 0.000 0.267 475 N C 0.661 176.110 175.510 -0.101 0.000 1.214 475 N CA 0.640 53.626 53.050 -0.107 0.000 0.959 475 N CB 1.877 40.319 38.487 -0.076 0.000 1.142 475 N HN 0.800 nan 8.380 nan 0.000 0.455 476 A N 2.881 125.659 122.820 -0.070 0.000 1.819 476 A HA -0.192 4.129 4.320 0.002 0.000 0.215 476 A C 1.865 179.423 177.584 -0.044 0.000 1.226 476 A CA 1.698 53.704 52.037 -0.053 0.000 0.608 476 A CB -1.287 17.692 19.000 -0.034 0.000 0.877 476 A HN 0.814 nan 8.150 nan 0.000 0.452 477 Q N -0.439 119.340 119.800 -0.034 0.000 2.224 477 Q HA -0.200 4.142 4.340 0.002 0.000 0.213 477 Q C 1.874 177.858 176.000 -0.027 0.000 0.998 477 Q CA 3.022 58.809 55.803 -0.026 0.000 0.895 477 Q CB -0.886 27.838 28.738 -0.023 0.000 0.926 477 Q HN 0.652 nan 8.270 nan 0.000 0.417 478 T N -1.625 112.908 114.554 -0.035 0.000 2.976 478 T HA 0.207 4.558 4.350 0.002 0.000 0.257 478 T C 0.966 175.645 174.700 -0.035 0.000 1.051 478 T CA 0.633 62.714 62.100 -0.031 0.000 1.141 478 T CB -0.319 68.529 68.868 -0.034 0.000 0.881 478 T HN 0.546 nan 8.240 nan 0.000 0.461 479 G N 1.700 110.465 108.800 -0.059 0.000 2.350 479 G HA2 -0.160 3.802 3.960 0.002 0.000 0.298 479 G HA3 -0.160 3.802 3.960 0.002 0.000 0.298 479 G C -0.181 174.683 174.900 -0.060 0.000 1.037 479 G CA 0.055 45.113 45.100 -0.071 0.000 1.074 479 G HN 0.551 nan 8.290 nan 0.000 0.511 480 V N 0.319 120.179 119.914 -0.091 0.000 2.569 480 V HA 0.333 4.455 4.120 0.002 0.000 0.301 480 V C 0.041 176.100 176.094 -0.059 0.000 1.044 480 V CA -1.161 61.126 62.300 -0.023 0.000 0.874 480 V CB 1.624 33.454 31.823 0.011 0.000 1.002 480 V HN 0.304 nan 8.190 nan 0.000 0.424 481 Y N 4.305 124.620 120.300 0.024 0.000 2.990 481 Y HA 0.129 4.680 4.550 0.002 0.000 0.360 481 Y C 1.206 177.142 175.900 0.060 0.000 1.130 481 Y CA 0.091 58.213 58.100 0.038 0.000 2.047 481 Y CB -0.303 38.176 38.460 0.031 0.000 2.189 481 Y HN 0.775 nan 8.280 nan 0.000 0.406 482 E N -1.571 118.701 120.200 0.121 0.000 2.672 482 E HA 0.385 4.737 4.350 0.002 0.000 0.235 482 E C -1.036 175.606 176.600 0.069 0.000 0.906 482 E CA -1.169 55.301 56.400 0.118 0.000 0.973 482 E CB 0.583 30.316 29.700 0.055 0.000 1.478 482 E HN 0.110 nan 8.360 nan 0.000 0.430 483 D N 0.120 120.498 120.400 -0.037 0.000 2.350 483 D HA 0.137 4.779 4.640 0.002 0.000 0.249 483 D C 0.354 176.569 176.300 -0.141 0.000 1.119 483 D CA -0.004 53.842 54.000 -0.256 0.000 0.886 483 D CB 1.226 41.842 40.800 -0.307 0.000 1.195 483 D HN 0.334 nan 8.370 nan 0.000 0.437 484 L N 1.484 122.622 121.223 -0.141 0.000 2.200 484 L HA -0.017 4.324 4.340 0.002 0.000 0.200 484 L C 1.969 178.791 176.870 -0.080 0.000 1.072 484 L CA 0.149 54.937 54.840 -0.088 0.000 0.787 484 L CB -0.262 41.757 42.059 -0.067 0.000 0.957 484 L HN 0.407 nan 8.230 nan 0.000 0.459 485 L N 0.918 122.087 121.223 -0.091 0.000 1.956 485 L HA -0.201 4.140 4.340 0.002 0.000 0.216 485 L C 2.617 179.449 176.870 -0.064 0.000 1.073 485 L CA 2.390 57.188 54.840 -0.070 0.000 0.762 485 L CB -0.971 41.047 42.059 -0.069 0.000 0.889 485 L HN 0.167 nan 8.230 nan 0.000 0.433 486 A N -0.300 122.475 122.820 -0.075 0.000 1.948 486 A HA -0.130 4.192 4.320 0.002 0.000 0.220 486 A C 2.273 179.829 177.584 -0.047 0.000 1.177 486 A CA 1.841 53.843 52.037 -0.057 0.000 0.636 486 A CB -1.370 17.593 19.000 -0.061 0.000 0.815 486 A HN 0.691 nan 8.150 nan 0.000 0.449 487 A N -1.468 121.321 122.820 -0.052 0.000 2.277 487 A HA 0.354 4.675 4.320 0.002 0.000 0.208 487 A C 1.825 179.386 177.584 -0.037 0.000 1.202 487 A CA 1.297 53.309 52.037 -0.041 0.000 0.762 487 A CB -1.422 17.551 19.000 -0.045 0.000 0.770 487 A HN 2.024 nan 8.150 nan 0.000 0.487 488 G N -2.091 106.686 108.800 -0.038 0.000 2.148 488 G HA2 -0.201 3.761 3.960 0.002 0.000 0.254 488 G HA3 -0.201 3.761 3.960 0.002 0.000 0.254 488 G C 0.075 174.953 174.900 -0.035 0.000 0.981 488 G CA 0.223 45.303 45.100 -0.034 0.000 0.670 488 G HN 0.970 nan 8.290 nan 0.000 0.528 489 V N 0.209 120.099 119.914 -0.040 0.000 2.394 489 V HA 0.893 5.014 4.120 0.002 0.000 0.282 489 V C 0.502 176.572 176.094 -0.039 0.000 1.031 489 V CA 0.126 62.403 62.300 -0.040 0.000 0.881 489 V CB 1.124 32.920 31.823 -0.044 0.000 0.982 489 V HN 1.530 nan 8.190 nan 0.000 0.451 490 A N 3.932 126.731 122.820 -0.035 0.000 2.599 490 A HA 0.856 5.177 4.320 0.002 0.000 0.290 490 A C -1.901 175.666 177.584 -0.029 0.000 1.101 490 A CA -0.686 51.331 52.037 -0.032 0.000 0.674 490 A CB 1.935 20.916 19.000 -0.032 0.000 1.277 490 A HN 0.659 nan 8.150 nan 0.000 0.419 491 D N 0.490 120.874 120.400 -0.026 0.000 2.934 491 D HA 0.485 5.127 4.640 0.002 0.000 0.230 491 D C -3.008 173.278 176.300 -0.023 0.000 1.204 491 D CA -0.914 53.071 54.000 -0.025 0.000 0.873 491 D CB 2.207 42.994 40.800 -0.022 0.000 1.645 491 D HN 0.122 nan 8.370 nan 0.000 0.502 492 P HA 0.027 nan 4.420 nan 0.000 0.271 492 P C 1.393 178.682 177.300 -0.018 0.000 1.233 492 P CA -0.305 62.782 63.100 -0.021 0.000 0.764 492 P CB 0.940 32.626 31.700 -0.023 0.000 0.825 493 V N 4.564 124.469 119.914 -0.016 0.000 2.313 493 V HA -0.339 3.783 4.120 0.002 0.000 0.253 493 V C 2.388 178.474 176.094 -0.013 0.000 1.070 493 V CA 2.235 64.527 62.300 -0.013 0.000 1.057 493 V CB -1.028 30.789 31.823 -0.011 0.000 0.653 493 V HN 0.668 nan 8.190 nan 0.000 0.450 494 K N -0.089 120.303 120.400 -0.014 0.000 2.032 494 K HA -0.195 4.126 4.320 0.002 0.000 0.209 494 K C 2.061 178.651 176.600 -0.016 0.000 1.048 494 K CA 2.053 58.332 56.287 -0.014 0.000 0.927 494 K CB -0.262 32.229 32.500 -0.015 0.000 0.712 494 K HN 0.358 nan 8.250 nan 0.000 0.441 495 V N 0.939 120.843 119.914 -0.018 0.000 2.295 495 V HA -0.245 3.877 4.120 0.002 0.000 0.246 495 V C 2.292 178.375 176.094 -0.018 0.000 1.049 495 V CA 2.333 64.621 62.300 -0.019 0.000 1.024 495 V CB -0.684 31.126 31.823 -0.022 0.000 0.648 495 V HN 0.490 nan 8.190 nan 0.000 0.447 496 T N 0.255 114.799 114.554 -0.017 0.000 2.643 496 T HA -0.203 4.149 4.350 0.002 0.000 0.264 496 T C 2.106 176.796 174.700 -0.016 0.000 1.045 496 T CA 1.731 63.822 62.100 -0.016 0.000 1.155 496 T CB -0.353 68.506 68.868 -0.014 0.000 0.863 496 T HN 0.401 nan 8.240 nan 0.000 0.420 497 R N 1.205 121.696 120.500 -0.014 0.000 2.193 497 R HA -0.004 4.338 4.340 0.002 0.000 0.229 497 R C 2.092 178.383 176.300 -0.015 0.000 1.110 497 R CA 1.459 57.552 56.100 -0.013 0.000 0.988 497 R CB -0.628 29.666 30.300 -0.011 0.000 0.871 497 R HN 0.264 nan 8.270 nan 0.000 0.458 498 S N 0.728 116.418 115.700 -0.016 0.000 2.377 498 S HA 0.055 4.527 4.470 0.002 0.000 0.223 498 S C 2.057 176.645 174.600 -0.020 0.000 1.030 498 S CA 0.843 59.034 58.200 -0.016 0.000 0.970 498 S CB -0.110 63.080 63.200 -0.015 0.000 0.830 498 S HN 0.557 nan 8.310 nan 0.000 0.473 499 A N 1.791 124.598 122.820 -0.021 0.000 1.884 499 A HA -0.168 4.154 4.320 0.002 0.000 0.219 499 A C 2.127 179.693 177.584 -0.030 0.000 1.197 499 A CA 1.813 53.835 52.037 -0.025 0.000 0.637 499 A CB -1.002 17.983 19.000 -0.024 0.000 0.827 499 A HN 0.429 nan 8.150 nan 0.000 0.450 500 L N -0.236 120.972 121.223 -0.026 0.000 2.012 500 L HA -0.247 4.094 4.340 0.002 0.000 0.210 500 L C 2.574 179.427 176.870 -0.030 0.000 1.073 500 L CA 2.581 57.404 54.840 -0.027 0.000 0.748 500 L CB -0.713 41.333 42.059 -0.020 0.000 0.891 500 L HN 0.545 nan 8.230 nan 0.000 0.431 501 Q N -0.801 118.984 119.800 -0.024 0.000 2.226 501 Q HA -0.177 4.164 4.340 0.002 0.000 0.204 501 Q C 1.919 177.901 176.000 -0.030 0.000 0.975 501 Q CA 1.417 57.206 55.803 -0.023 0.000 0.866 501 Q CB -0.239 28.489 28.738 -0.017 0.000 0.915 501 Q HN 0.622 nan 8.270 nan 0.000 0.440 502 N N 0.736 119.416 118.700 -0.034 0.000 2.062 502 N HA -0.131 4.610 4.740 0.002 0.000 0.191 502 N C 1.808 177.280 175.510 -0.064 0.000 1.042 502 N CA 1.331 54.356 53.050 -0.042 0.000 0.845 502 N CB -0.463 38.001 38.487 -0.039 0.000 1.024 502 N HN 0.210 nan 8.380 nan 0.000 0.424 503 A N 1.637 124.415 122.820 -0.070 0.000 1.869 503 A HA -0.181 4.141 4.320 0.002 0.000 0.218 503 A C 2.445 179.967 177.584 -0.103 0.000 1.203 503 A CA 2.803 54.782 52.037 -0.097 0.000 0.638 503 A CB -1.257 17.696 19.000 -0.079 0.000 0.831 503 A HN 0.367 nan 8.150 nan 0.000 0.450 504 A N -1.090 121.689 122.820 -0.069 0.000 1.927 504 A HA -0.202 4.120 4.320 0.002 0.000 0.220 504 A C 2.516 180.066 177.584 -0.057 0.000 1.185 504 A CA 2.638 54.641 52.037 -0.056 0.000 0.639 504 A CB -1.088 17.892 19.000 -0.034 0.000 0.820 504 A HN 0.703 nan 8.150 nan 0.000 0.451 505 S N -0.800 114.868 115.700 -0.053 0.000 2.383 505 S HA -0.075 4.397 4.470 0.002 0.000 0.227 505 S C 1.837 176.403 174.600 -0.058 0.000 1.026 505 S CA 1.356 59.533 58.200 -0.040 0.000 0.981 505 S CB -0.492 62.691 63.200 -0.028 0.000 0.818 505 S HN 0.502 nan 8.310 nan 0.000 0.472 506 I N 1.356 121.854 120.570 -0.119 0.000 2.333 506 I HA 0.004 4.176 4.170 0.002 0.000 0.246 506 I C 2.768 178.676 176.117 -0.348 0.000 1.106 506 I CA 0.890 62.062 61.300 -0.214 0.000 1.411 506 I CB -0.495 37.327 38.000 -0.298 0.000 1.082 506 I HN 0.325 nan 8.210 nan 0.000 0.420 507 A N 1.101 123.743 122.820 -0.295 0.000 1.972 507 A HA -0.119 4.202 4.320 0.002 0.000 0.219 507 A C 2.379 179.938 177.584 -0.042 0.000 1.169 507 A CA 1.791 53.693 52.037 -0.225 0.000 0.635 507 A CB -1.328 17.589 19.000 -0.138 0.000 0.810 507 A HN 0.472 nan 8.150 nan 0.000 0.446 508 G N -0.570 108.217 108.800 -0.022 0.000 2.471 508 G HA2 -0.035 3.926 3.960 0.002 0.000 0.219 508 G HA3 -0.035 3.926 3.960 0.002 0.000 0.219 508 G C 1.392 176.343 174.900 0.086 0.000 1.125 508 G CA 0.868 45.987 45.100 0.031 0.000 0.775 508 G HN 0.460 nan 8.290 nan 0.000 0.548 509 L N -1.114 120.195 121.223 0.142 0.000 2.307 509 L HA 0.258 4.600 4.340 0.002 0.000 0.211 509 L C 2.338 179.413 176.870 0.343 0.000 1.099 509 L CA 0.284 55.260 54.840 0.227 0.000 0.816 509 L CB -0.250 41.969 42.059 0.268 0.000 0.952 509 L HN 0.183 nan 8.230 nan 0.000 0.455 510 F N -0.056 119.896 119.950 0.003 0.000 2.558 510 F HA -0.061 4.468 4.527 0.002 0.000 0.298 510 F C 2.097 177.905 175.800 0.014 0.000 1.119 510 F CA 0.233 58.236 58.000 0.005 0.000 1.451 510 F CB 0.193 39.193 39.000 -0.001 0.000 1.091 510 F HN 0.033 nan 8.300 nan 0.000 0.563 511 L N -1.108 120.232 121.223 0.195 0.000 2.200 511 L HA -0.061 4.281 4.340 0.002 0.000 0.200 511 L C 2.316 179.232 176.870 0.076 0.000 1.072 511 L CA 0.999 55.906 54.840 0.112 0.000 0.787 511 L CB -0.880 41.229 42.059 0.084 0.000 0.957 511 L HN -0.037 nan 8.230 nan 0.000 0.459 512 T N -0.742 113.855 114.554 0.072 0.000 2.698 512 T HA -0.115 4.236 4.350 0.002 0.000 0.260 512 T C 1.742 176.464 174.700 0.037 0.000 1.044 512 T CA 1.768 63.897 62.100 0.049 0.000 1.149 512 T CB -0.224 68.671 68.868 0.046 0.000 0.864 512 T HN 0.280 nan 8.240 nan 0.000 0.419 513 T N 2.270 116.847 114.554 0.038 0.000 2.504 513 T HA 0.034 4.386 4.350 0.002 0.000 0.243 513 T C 0.871 175.564 174.700 -0.011 0.000 1.206 513 T CA 0.874 62.980 62.100 0.009 0.000 1.356 513 T CB -0.157 68.710 68.868 -0.003 0.000 0.910 513 T HN 0.448 nan 8.240 nan 0.000 0.393 514 E N 0.000 120.170 120.200 -0.049 0.000 2.725 514 E HA 0.000 4.351 4.350 0.002 0.000 0.291 514 E CA 0.000 56.365 56.400 -0.058 0.000 0.976 514 E CB 0.000 29.640 29.700 -0.099 0.000 0.812 514 E HN 0.000 nan 8.360 nan 0.000 0.440