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 3izh_1_G DATA FIRST_RESID 3079 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI TNIKDLSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 3079 V HA 0.000 nan 4.120 nan 0.000 0.244 3079 V C 0.000 176.088 176.094 -0.010 0.000 1.182 3079 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 3079 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 3080 L N 2.508 123.723 121.223 -0.013 0.000 2.325 3080 L HA 0.553 4.893 4.340 -0.000 0.000 0.279 3080 L C -2.188 174.674 176.870 -0.014 0.000 1.054 3080 L CA -1.543 53.289 54.840 -0.013 0.000 0.804 3080 L CB 0.864 42.912 42.059 -0.017 0.000 1.200 3080 L HN 0.163 nan 8.230 nan 0.000 0.436 3081 P HA -0.008 nan 4.420 nan 0.000 0.264 3081 P C -0.445 176.846 177.300 -0.014 0.000 1.193 3081 P CA -0.144 62.949 63.100 -0.011 0.000 0.763 3081 P CB 0.402 32.097 31.700 -0.009 0.000 0.810 3082 E N 3.250 123.441 120.200 -0.014 0.000 2.452 3082 E HA -0.114 4.236 4.350 -0.000 0.000 0.261 3082 E C 0.844 177.435 176.600 -0.015 0.000 0.987 3082 E CA 0.390 56.781 56.400 -0.016 0.000 0.926 3082 E CB 0.010 29.702 29.700 -0.014 0.000 0.934 3082 E HN 0.618 nan 8.360 nan 0.000 0.452 3083 N N 2.456 121.145 118.700 -0.018 0.000 2.990 3083 N HA -0.146 4.594 4.740 -0.000 0.000 0.163 3083 N C -0.614 174.885 175.510 -0.018 0.000 1.452 3083 N CA 0.223 53.264 53.050 -0.016 0.000 1.624 3083 N CB -0.631 37.850 38.487 -0.011 0.000 1.088 3083 N HN 0.388 nan 8.380 nan 0.000 0.695 3084 M N 2.059 121.646 119.600 -0.020 0.000 2.228 3084 M HA 0.227 4.707 4.480 -0.000 0.000 0.351 3084 M C 0.300 176.578 176.300 -0.037 0.000 1.233 3084 M CA 0.554 55.841 55.300 -0.021 0.000 1.129 3084 M CB 0.841 33.430 32.600 -0.018 0.000 1.604 3084 M HN 0.162 nan 8.290 nan 0.000 0.457 3085 K N 2.273 122.653 120.400 -0.034 0.000 2.316 3085 K HA 0.621 4.941 4.320 -0.000 0.000 0.251 3085 K C -1.213 175.344 176.600 -0.073 0.000 0.934 3085 K CA -0.573 55.668 56.287 -0.077 0.000 0.802 3085 K CB 1.963 34.441 32.500 -0.038 0.000 1.171 3085 K HN 0.676 nan 8.250 nan 0.000 0.426 3086 R N 3.087 123.460 120.500 -0.212 0.000 2.621 3086 R HA 0.430 4.770 4.340 -0.000 0.000 0.284 3086 R C -1.520 174.570 176.300 -0.350 0.000 0.998 3086 R CA -0.598 55.420 56.100 -0.136 0.000 0.895 3086 R CB 0.893 31.152 30.300 -0.070 0.000 1.195 3086 R HN 0.626 nan 8.270 nan 0.000 0.450 3087 Y N 4.203 124.508 120.300 0.007 0.000 2.462 3087 Y HA 0.541 5.091 4.550 -0.000 0.000 0.346 3087 Y C 0.274 176.181 175.900 0.011 0.000 0.976 3087 Y CA -0.950 57.158 58.100 0.013 0.000 1.044 3087 Y CB 2.228 40.703 38.460 0.026 0.000 1.230 3087 Y HN 0.426 nan 8.280 nan 0.000 0.455 3088 M N 0.859 120.544 119.600 0.141 0.000 2.618 3088 M HA 0.858 5.338 4.480 -0.000 0.000 0.281 3088 M C 0.179 176.519 176.300 0.066 0.000 1.267 3088 M CA -0.145 55.204 55.300 0.080 0.000 0.845 3088 M CB 1.349 33.972 32.600 0.040 0.000 1.732 3088 M HN 0.877 nan 8.290 nan 0.000 0.461 3089 G N 2.283 111.109 108.800 0.043 0.000 2.574 3089 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.286 3089 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.286 3089 G C 0.507 175.425 174.900 0.030 0.000 1.212 3089 G CA 1.067 46.183 45.100 0.027 0.000 0.979 3089 G HN 1.179 nan 8.290 nan 0.000 0.557 3090 R N 0.438 120.952 120.500 0.024 0.000 2.189 3090 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 3090 R C 2.068 178.388 176.300 0.034 0.000 1.092 3090 R CA 1.947 58.059 56.100 0.020 0.000 0.989 3090 R CB -0.373 29.934 30.300 0.012 0.000 0.876 3090 R HN 0.596 nan 8.270 nan 0.000 0.457 3091 D N 0.258 120.695 120.400 0.061 0.000 2.123 3091 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 3091 D C 1.705 178.058 176.300 0.088 0.000 0.976 3091 D CA 1.404 55.463 54.000 0.099 0.000 0.831 3091 D CB -0.126 40.779 40.800 0.175 0.000 0.974 3091 D HN 0.361 nan 8.370 nan 0.000 0.469 3092 A N 0.957 123.838 122.820 0.102 0.000 1.933 3092 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 3092 A C 2.152 179.746 177.584 0.017 0.000 1.175 3092 A CA 1.321 53.402 52.037 0.075 0.000 0.628 3092 A CB -0.516 18.537 19.000 0.089 0.000 0.814 3092 A HN 0.194 nan 8.150 nan 0.000 0.444 3093 Q N -1.108 118.702 119.800 0.016 0.000 2.046 3093 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 3093 Q C 2.423 178.415 176.000 -0.014 0.000 0.975 3093 Q CA 1.440 57.244 55.803 0.001 0.000 0.836 3093 Q CB -0.198 28.542 28.738 0.002 0.000 0.896 3093 Q HN 0.689 nan 8.270 nan 0.000 0.428 3094 R N 0.690 121.182 120.500 -0.013 0.000 2.083 3094 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 3094 R C 2.292 178.558 176.300 -0.056 0.000 1.137 3094 R CA 1.680 57.764 56.100 -0.025 0.000 0.951 3094 R CB -0.214 30.078 30.300 -0.012 0.000 0.851 3094 R HN 0.293 nan 8.270 nan 0.000 0.434 3095 M N 0.472 120.022 119.600 -0.082 0.000 2.086 3095 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 3095 M C 1.867 178.087 176.300 -0.132 0.000 1.067 3095 M CA 2.336 57.548 55.300 -0.146 0.000 1.116 3095 M CB -0.330 32.121 32.600 -0.248 0.000 1.348 3095 M HN 0.160 nan 8.290 nan 0.000 0.407 3096 N N 0.535 119.186 118.700 -0.082 0.000 2.069 3096 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 3096 N C 1.466 176.944 175.510 -0.054 0.000 1.031 3096 N CA 2.060 55.078 53.050 -0.055 0.000 0.852 3096 N CB -0.354 38.120 38.487 -0.021 0.000 1.018 3096 N HN 0.494 nan 8.380 nan 0.000 0.423 3097 I N -0.411 120.133 120.570 -0.044 0.000 2.179 3097 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 3097 I C 1.704 177.791 176.117 -0.050 0.000 1.088 3097 I CA 0.584 61.863 61.300 -0.034 0.000 1.357 3097 I CB -0.200 37.787 38.000 -0.023 0.000 1.051 3097 I HN 0.194 nan 8.210 nan 0.000 0.409 3098 L N 0.692 121.874 121.223 -0.068 0.000 2.046 3098 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 3098 L C 2.679 179.490 176.870 -0.098 0.000 1.077 3098 L CA 2.127 56.920 54.840 -0.077 0.000 0.747 3098 L CB -1.269 40.738 42.059 -0.087 0.000 0.896 3098 L HN 0.201 nan 8.230 nan 0.000 0.432 3099 A N -0.623 122.115 122.820 -0.137 0.000 1.877 3099 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 3099 A C 2.428 179.957 177.584 -0.092 0.000 1.186 3099 A CA 1.745 53.687 52.037 -0.158 0.000 0.620 3099 A CB -1.386 17.477 19.000 -0.229 0.000 0.822 3099 A HN 0.438 nan 8.150 nan 0.000 0.443 3100 G N -0.398 108.363 108.800 -0.066 0.000 2.418 3100 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 3100 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 3100 G C 1.702 176.580 174.900 -0.036 0.000 1.158 3100 G CA 1.375 46.451 45.100 -0.040 0.000 0.771 3100 G HN 0.552 nan 8.290 nan 0.000 0.545 3101 R N 0.766 121.243 120.500 -0.039 0.000 2.073 3101 R HA 0.040 4.380 4.340 -0.000 0.000 0.234 3101 R C 2.468 178.747 176.300 -0.034 0.000 1.134 3101 R CA 1.360 57.441 56.100 -0.033 0.000 0.952 3101 R CB -0.790 29.491 30.300 -0.032 0.000 0.850 3101 R HN 0.433 nan 8.270 nan 0.000 0.433 3102 I N 0.210 120.754 120.570 -0.044 0.000 2.226 3102 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 3102 I C 1.835 177.931 176.117 -0.034 0.000 1.100 3102 I CA 0.828 62.103 61.300 -0.041 0.000 1.374 3102 I CB -0.282 37.686 38.000 -0.052 0.000 1.057 3102 I HN 0.160 nan 8.210 nan 0.000 0.413 3103 I N 1.097 121.646 120.570 -0.035 0.000 2.226 3103 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 3103 I C 2.848 178.952 176.117 -0.021 0.000 1.100 3103 I CA 1.709 62.994 61.300 -0.025 0.000 1.374 3103 I CB -1.478 36.508 38.000 -0.023 0.000 1.057 3103 I HN 0.189 nan 8.210 nan 0.000 0.413 3104 A N 0.317 123.123 122.820 -0.022 0.000 1.933 3104 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 3104 A C 2.151 179.723 177.584 -0.020 0.000 1.175 3104 A CA 1.310 53.334 52.037 -0.020 0.000 0.628 3104 A CB -0.406 18.581 19.000 -0.021 0.000 0.814 3104 A HN 0.373 nan 8.150 nan 0.000 0.444 3105 E N -0.465 119.722 120.200 -0.021 0.000 2.150 3105 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 3105 E C 1.999 178.589 176.600 -0.017 0.000 0.985 3105 E CA 1.522 57.910 56.400 -0.020 0.000 0.814 3105 E CB -0.589 29.098 29.700 -0.021 0.000 0.752 3105 E HN 0.590 nan 8.360 nan 0.000 0.466 3106 T N 0.933 115.477 114.554 -0.017 0.000 2.857 3106 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 3106 T C 2.099 176.792 174.700 -0.011 0.000 1.048 3106 T CA 1.487 63.579 62.100 -0.013 0.000 1.139 3106 T CB 0.007 68.867 68.868 -0.013 0.000 0.874 3106 T HN 0.201 nan 8.240 nan 0.000 0.455 3107 V N 0.131 120.038 119.914 -0.012 0.000 2.992 3107 V HA 0.272 4.392 4.120 -0.000 0.000 0.250 3107 V C 2.265 178.352 176.094 -0.012 0.000 1.090 3107 V CA 0.735 63.029 62.300 -0.011 0.000 1.101 3107 V CB -0.692 31.125 31.823 -0.010 0.000 0.743 3107 V HN 0.223 nan 8.190 nan 0.000 0.468 3108 R N 2.251 122.742 120.500 -0.015 0.000 2.211 3108 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 3108 R C 2.174 178.465 176.300 -0.014 0.000 1.144 3108 R CA 1.872 57.962 56.100 -0.017 0.000 0.992 3108 R CB -0.448 29.840 30.300 -0.020 0.000 0.869 3108 R HN 0.794 nan 8.270 nan 0.000 0.462 3109 S N -1.662 114.031 115.700 -0.012 0.000 2.595 3109 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 3109 S C 1.284 175.880 174.600 -0.006 0.000 0.974 3109 S CA 1.165 59.360 58.200 -0.009 0.000 0.942 3109 S CB 0.332 63.528 63.200 -0.007 0.000 0.766 3109 S HN 0.272 nan 8.310 nan 0.000 0.536 3110 T N 1.223 115.773 114.554 -0.007 0.000 3.015 3110 T HA 0.336 4.686 4.350 -0.000 0.000 0.250 3110 T C 0.275 174.972 174.700 -0.006 0.000 1.057 3110 T CA -0.422 61.675 62.100 -0.004 0.000 1.066 3110 T CB -0.150 68.716 68.868 -0.003 0.000 0.959 3110 T HN 0.291 nan 8.240 nan 0.000 0.488 3111 L N 2.499 123.716 121.223 -0.010 0.000 2.499 3111 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 3111 L C 0.721 177.583 176.870 -0.014 0.000 1.195 3111 L CA 1.253 56.085 54.840 -0.014 0.000 0.882 3111 L CB -0.771 41.276 42.059 -0.019 0.000 1.133 3111 L HN 0.442 nan 8.230 nan 0.000 0.483 3112 G N 3.865 112.657 108.800 -0.014 0.000 2.663 3112 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 3112 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 3112 G C -1.999 172.897 174.900 -0.007 0.000 1.288 3112 G CA -0.451 44.640 45.100 -0.015 0.000 0.836 3112 G HN 0.502 nan 8.290 nan 0.000 0.584 3113 P HA -0.002 nan 4.420 nan 0.000 0.218 3113 P C 1.397 178.707 177.300 0.017 0.000 1.148 3113 P CA 1.271 64.374 63.100 0.005 0.000 0.822 3113 P CB 0.134 31.831 31.700 -0.004 0.000 0.784 3114 K N -0.505 119.902 120.400 0.010 0.000 2.446 3114 K HA 0.257 4.577 4.320 -0.000 0.000 0.203 3114 K C 0.967 177.573 176.600 0.011 0.000 1.027 3114 K CA -0.048 56.251 56.287 0.018 0.000 1.166 3114 K CB -0.150 32.360 32.500 0.016 0.000 0.869 3114 K HN 0.063 nan 8.250 nan 0.000 0.504 3115 G N 1.854 110.658 108.800 0.007 0.000 2.442 3115 G HA2 0.314 4.274 3.960 -0.000 0.000 0.249 3115 G HA3 0.314 4.274 3.960 -0.000 0.000 0.249 3115 G C 0.310 175.214 174.900 0.007 0.000 1.263 3115 G CA -0.422 44.680 45.100 0.003 0.000 0.846 3115 G HN 0.197 nan 8.290 nan 0.000 0.555 3116 M N 0.699 120.302 119.600 0.005 0.000 2.792 3116 M HA 0.731 5.211 4.480 -0.000 0.000 0.294 3116 M C -0.819 175.484 176.300 0.005 0.000 1.215 3116 M CA -1.041 54.263 55.300 0.007 0.000 0.883 3116 M CB 1.828 34.431 32.600 0.006 0.000 1.620 3116 M HN 0.459 nan 8.290 nan 0.000 0.511 3117 D N -0.681 119.723 120.400 0.005 0.000 2.340 3117 D HA 0.578 5.218 4.640 -0.000 0.000 0.243 3117 D C -1.436 174.865 176.300 0.002 0.000 0.988 3117 D CA -0.784 53.218 54.000 0.004 0.000 0.959 3117 D CB 1.404 42.207 40.800 0.005 0.000 1.226 3117 D HN 0.640 nan 8.370 nan 0.000 0.509 3118 K N -0.114 120.287 120.400 0.001 0.000 2.267 3118 K HA 0.483 4.803 4.320 -0.000 0.000 0.246 3118 K C -0.919 175.682 176.600 0.000 0.000 0.954 3118 K CA -1.041 55.246 56.287 0.000 0.000 0.824 3118 K CB 2.327 34.827 32.500 -0.001 0.000 1.167 3118 K HN 0.483 nan 8.250 nan 0.000 0.431 3119 M N 3.581 123.180 119.600 -0.000 0.000 2.078 3119 M HA 0.316 4.796 4.480 -0.000 0.000 0.320 3119 M C -1.859 174.441 176.300 -0.001 0.000 0.969 3119 M CA -0.966 54.333 55.300 -0.001 0.000 0.929 3119 M CB 0.653 33.252 32.600 -0.001 0.000 1.504 3119 M HN 0.382 nan 8.290 nan 0.000 0.419 3120 L N 5.940 127.162 121.223 -0.001 0.000 2.298 3120 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 3120 L C -0.944 175.926 176.870 -0.001 0.000 1.013 3120 L CA -0.325 54.515 54.840 -0.000 0.000 0.824 3120 L CB 1.961 44.020 42.059 -0.000 0.000 1.221 3120 L HN 0.439 nan 8.230 nan 0.000 0.418 3121 V N 3.168 123.082 119.914 -0.000 0.000 2.326 3121 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 3121 V C -0.268 175.826 176.094 0.000 0.000 1.015 3121 V CA -1.050 61.250 62.300 -0.000 0.000 0.823 3121 V CB 1.197 33.020 31.823 -0.001 0.000 1.009 3121 V HN 0.796 nan 8.190 nan 0.000 0.436 3122 D N 3.487 123.888 120.400 0.000 0.000 2.369 3122 D HA -0.060 4.580 4.640 -0.000 0.000 0.241 3122 D C 1.132 177.433 176.300 0.001 0.000 1.271 3122 D CA -0.198 53.803 54.000 0.001 0.000 0.942 3122 D CB 0.609 41.409 40.800 0.001 0.000 1.129 3122 D HN 0.589 nan 8.370 nan 0.000 0.476 3123 D N -0.398 120.003 120.400 0.001 0.000 2.351 3123 D HA -0.160 4.480 4.640 -0.000 0.000 0.216 3123 D C 1.611 177.912 176.300 0.001 0.000 0.968 3123 D CA 0.620 54.621 54.000 0.001 0.000 0.899 3123 D CB -0.137 40.664 40.800 0.002 0.000 0.907 3123 D HN 0.419 nan 8.370 nan 0.000 0.514 3124 L N -0.983 120.240 121.223 0.001 0.000 2.463 3124 L HA 0.295 4.635 4.340 -0.000 0.000 0.219 3124 L C 1.980 178.850 176.870 -0.000 0.000 1.088 3124 L CA 0.610 55.450 54.840 0.000 0.000 0.849 3124 L CB 0.230 42.289 42.059 0.000 0.000 1.012 3124 L HN 0.323 nan 8.230 nan 0.000 0.468 3125 G N -0.580 108.219 108.800 -0.000 0.000 2.278 3125 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.210 3125 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.210 3125 G C 0.123 175.022 174.900 -0.001 0.000 1.000 3125 G CA -0.066 45.033 45.100 -0.001 0.000 0.635 3125 G HN 0.290 nan 8.290 nan 0.000 0.495 3126 D N 1.024 121.423 120.400 -0.001 0.000 2.472 3126 D HA 0.383 5.023 4.640 -0.000 0.000 0.237 3126 D C 0.350 176.650 176.300 -0.002 0.000 1.141 3126 D CA 0.509 54.508 54.000 -0.001 0.000 0.875 3126 D CB 1.199 41.998 40.800 -0.001 0.000 1.192 3126 D HN 0.383 nan 8.370 nan 0.000 0.450 3127 V N 4.221 124.133 119.914 -0.002 0.000 2.540 3127 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 3127 V C -0.174 175.918 176.094 -0.003 0.000 1.035 3127 V CA -0.936 61.362 62.300 -0.002 0.000 0.873 3127 V CB 1.812 33.633 31.823 -0.003 0.000 0.992 3127 V HN 0.402 nan 8.190 nan 0.000 0.428 3128 V N 6.289 126.202 119.914 -0.002 0.000 2.487 3128 V HA 0.680 4.800 4.120 -0.000 0.000 0.298 3128 V C -0.877 175.216 176.094 -0.002 0.000 1.028 3128 V CA -0.247 62.052 62.300 -0.002 0.000 0.860 3128 V CB 2.106 33.928 31.823 -0.001 0.000 0.991 3128 V HN 0.644 nan 8.190 nan 0.000 0.427 3129 V N 6.331 126.244 119.914 -0.002 0.000 2.376 3129 V HA 0.706 4.826 4.120 -0.000 0.000 0.287 3129 V C 0.056 176.150 176.094 -0.000 0.000 1.015 3129 V CA -0.012 62.288 62.300 -0.001 0.000 0.834 3129 V CB 1.364 33.185 31.823 -0.002 0.000 1.001 3129 V HN 1.026 nan 8.190 nan 0.000 0.428 3130 T N 2.547 117.102 114.554 0.001 0.000 2.787 3130 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 3130 T C 0.249 174.950 174.700 0.002 0.000 1.221 3130 T CA -0.176 61.925 62.100 0.001 0.000 1.006 3130 T CB 1.943 70.811 68.868 0.001 0.000 1.328 3130 T HN 0.654 nan 8.240 nan 0.000 0.509 3131 N N 0.541 119.242 118.700 0.002 0.000 2.273 3131 N HA 0.120 4.860 4.740 -0.000 0.000 0.192 3131 N C -0.104 175.406 175.510 0.000 0.000 1.132 3131 N CA -0.146 52.905 53.050 0.002 0.000 0.887 3131 N CB -0.165 38.324 38.487 0.003 0.000 1.048 3131 N HN 0.603 nan 8.380 nan 0.000 0.490 3132 D N 0.441 120.841 120.400 0.001 0.000 2.450 3132 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 3132 D C 1.463 177.762 176.300 -0.001 0.000 1.162 3132 D CA 0.303 54.303 54.000 0.000 0.000 0.879 3132 D CB 1.057 41.858 40.800 0.001 0.000 1.163 3132 D HN 0.244 nan 8.370 nan 0.000 0.472 3133 G N 2.486 111.285 108.800 -0.001 0.000 2.421 3133 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 3133 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 3133 G C 1.555 176.455 174.900 -0.001 0.000 1.171 3133 G CA 0.728 45.827 45.100 -0.002 0.000 0.775 3133 G HN 0.491 nan 8.290 nan 0.000 0.543 3134 V N 0.966 120.880 119.914 0.000 0.000 2.287 3134 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 3134 V C 3.150 179.245 176.094 0.002 0.000 1.053 3134 V CA 2.417 64.718 62.300 0.001 0.000 1.027 3134 V CB -1.044 30.780 31.823 0.002 0.000 0.646 3134 V HN 0.384 nan 8.190 nan 0.000 0.447 3135 T N 0.234 114.789 114.554 0.001 0.000 2.708 3135 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 3135 T C 1.834 176.534 174.700 0.001 0.000 1.037 3135 T CA 1.882 63.983 62.100 0.001 0.000 1.146 3135 T CB -0.313 68.556 68.868 0.001 0.000 0.865 3135 T HN 0.338 nan 8.240 nan 0.000 0.435 3136 I N 0.462 121.032 120.570 0.000 0.000 2.163 3136 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 3136 I C 2.069 178.186 176.117 0.000 0.000 1.085 3136 I CA 1.081 62.381 61.300 -0.000 0.000 1.347 3136 I CB -0.281 37.718 38.000 -0.001 0.000 1.044 3136 I HN 0.168 nan 8.210 nan 0.000 0.408 3137 L N 0.020 121.244 121.223 0.001 0.000 2.179 3137 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 3137 L C 2.476 179.348 176.870 0.004 0.000 1.096 3137 L CA 1.413 56.254 54.840 0.002 0.000 0.779 3137 L CB -0.924 41.136 42.059 0.001 0.000 0.922 3137 L HN 0.146 nan 8.230 nan 0.000 0.443 3138 R N -0.002 120.500 120.500 0.003 0.000 2.075 3138 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 3138 R C 1.910 178.212 176.300 0.004 0.000 1.126 3138 R CA 1.263 57.365 56.100 0.004 0.000 0.963 3138 R CB 0.036 30.338 30.300 0.003 0.000 0.858 3138 R HN 0.326 nan 8.270 nan 0.000 0.435 3139 E N 0.582 120.783 120.200 0.003 0.000 2.072 3139 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 3139 E C 1.172 177.774 176.600 0.003 0.000 0.982 3139 E CA 0.293 56.694 56.400 0.003 0.000 0.803 3139 E CB -0.282 29.419 29.700 0.002 0.000 0.755 3139 E HN 0.301 nan 8.360 nan 0.000 0.453 3140 M N 0.861 120.463 119.600 0.003 0.000 2.252 3140 M HA -0.053 4.427 4.480 -0.000 0.000 0.321 3140 M C 0.144 176.448 176.300 0.007 0.000 1.070 3140 M CA 0.487 55.790 55.300 0.004 0.000 1.143 3140 M CB 0.578 33.180 32.600 0.004 0.000 1.498 3140 M HN -0.188 nan 8.290 nan 0.000 0.445 3141 S N 4.009 119.713 115.700 0.008 0.000 2.512 3141 S HA 0.423 4.893 4.470 -0.000 0.000 0.291 3141 S C -0.803 173.806 174.600 0.014 0.000 1.151 3141 S CA -0.853 57.353 58.200 0.010 0.000 1.120 3141 S CB 0.001 63.206 63.200 0.008 0.000 1.029 3141 S HN 0.531 nan 8.310 nan 0.000 0.485 3142 V N 4.969 124.893 119.914 0.017 0.000 2.732 3142 V HA 0.328 4.448 4.120 -0.000 0.000 0.297 3142 V C 1.013 177.127 176.094 0.032 0.000 1.060 3142 V CA -0.117 62.199 62.300 0.027 0.000 1.038 3142 V CB 1.488 33.329 31.823 0.030 0.000 1.003 3142 V HN 0.800 nan 8.190 nan 0.000 0.481 3143 E N 0.657 120.886 120.200 0.047 0.000 2.288 3143 E HA 0.073 4.423 4.350 -0.000 0.000 0.200 3143 E C 0.678 177.308 176.600 0.050 0.000 0.880 3143 E CA -0.038 56.387 56.400 0.041 0.000 0.971 3143 E CB 0.011 29.733 29.700 0.038 0.000 0.954 3143 E HN 0.693 nan 8.360 nan 0.000 0.489 3144 H N 2.800 121.867 119.070 -0.005 0.000 2.886 3144 H HA 0.018 4.574 4.556 0.000 0.000 0.329 3144 H C -1.721 173.601 175.328 -0.010 0.000 1.044 3144 H CA -1.190 54.852 56.048 -0.011 0.000 1.456 3144 H CB 1.503 31.250 29.762 -0.026 0.000 1.464 3144 H HN -0.172 nan 8.280 nan 0.000 0.573 3145 P HA -0.126 nan 4.420 nan 0.000 0.215 3145 P C 1.126 178.489 177.300 0.105 0.000 1.153 3145 P CA 1.985 65.075 63.100 -0.016 0.000 0.853 3145 P CB 0.098 31.745 31.700 -0.088 0.000 0.788 3146 A N -0.117 122.875 122.820 0.287 0.000 1.933 3146 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 3146 A C 2.298 179.949 177.584 0.111 0.000 1.175 3146 A CA 2.036 54.194 52.037 0.201 0.000 0.628 3146 A CB -1.539 17.575 19.000 0.191 0.000 0.814 3146 A HN 0.201 nan 8.150 nan 0.000 0.444 3147 A N -0.190 122.713 122.820 0.139 0.000 1.929 3147 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 3147 A C 2.068 179.679 177.584 0.046 0.000 1.176 3147 A CA 1.588 53.653 52.037 0.048 0.000 0.628 3147 A CB -0.372 18.651 19.000 0.038 0.000 0.816 3147 A HN 0.521 nan 8.150 nan 0.000 0.444 3148 K N -1.004 119.432 120.400 0.061 0.000 2.147 3148 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 3148 K C 2.031 178.649 176.600 0.030 0.000 1.049 3148 K CA 1.572 57.882 56.287 0.038 0.000 0.936 3148 K CB -0.236 32.284 32.500 0.033 0.000 0.722 3148 K HN 0.600 nan 8.250 nan 0.000 0.446 3149 M N 0.706 120.327 119.600 0.036 0.000 2.254 3149 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 3149 M C 1.915 178.227 176.300 0.020 0.000 1.066 3149 M CA 0.990 56.306 55.300 0.027 0.000 1.123 3149 M CB 0.119 32.737 32.600 0.031 0.000 1.388 3149 M HN 0.112 nan 8.290 nan 0.000 0.425 3150 L N 0.780 122.014 121.223 0.018 0.000 2.156 3150 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 3150 L C 1.921 178.797 176.870 0.009 0.000 1.095 3150 L CA 1.370 56.216 54.840 0.010 0.000 0.770 3150 L CB -0.603 41.457 42.059 0.002 0.000 0.914 3150 L HN 0.275 nan 8.230 nan 0.000 0.439 3151 I N -0.074 120.503 120.570 0.011 0.000 2.315 3151 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 3151 I C 2.358 178.481 176.117 0.009 0.000 1.125 3151 I CA 1.109 62.415 61.300 0.010 0.000 1.392 3151 I CB -1.286 36.721 38.000 0.011 0.000 1.065 3151 I HN 0.387 nan 8.210 nan 0.000 0.424 3152 E N 0.649 120.855 120.200 0.011 0.000 2.150 3152 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 3152 E C 2.486 179.092 176.600 0.010 0.000 0.985 3152 E CA 0.794 57.200 56.400 0.011 0.000 0.814 3152 E CB -0.226 29.481 29.700 0.012 0.000 0.752 3152 E HN 0.343 nan 8.360 nan 0.000 0.466 3153 V N 1.755 121.676 119.914 0.010 0.000 2.287 3153 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 3153 V C 2.506 178.605 176.094 0.008 0.000 1.053 3153 V CA 1.948 64.254 62.300 0.010 0.000 1.027 3153 V CB -0.940 30.889 31.823 0.010 0.000 0.646 3153 V HN 0.251 nan 8.190 nan 0.000 0.447 3154 A N -0.352 122.471 122.820 0.006 0.000 1.902 3154 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 3154 A C 2.304 179.891 177.584 0.005 0.000 1.181 3154 A CA 2.031 54.071 52.037 0.005 0.000 0.623 3154 A CB -0.443 18.559 19.000 0.003 0.000 0.818 3154 A HN 0.557 nan 8.150 nan 0.000 0.443 3155 K N -1.019 119.384 120.400 0.006 0.000 2.097 3155 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 3155 K C 2.025 178.629 176.600 0.007 0.000 1.050 3155 K CA 1.673 57.963 56.287 0.006 0.000 0.938 3155 K CB -0.335 32.169 32.500 0.006 0.000 0.718 3155 K HN 0.462 nan 8.250 nan 0.000 0.442 3156 T N 0.976 115.535 114.554 0.008 0.000 2.867 3156 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 3156 T C 1.802 176.507 174.700 0.008 0.000 1.057 3156 T CA 1.131 63.236 62.100 0.009 0.000 1.136 3156 T CB -0.081 68.793 68.868 0.010 0.000 0.874 3156 T HN 0.153 nan 8.240 nan 0.000 0.466 3157 Q N 1.181 120.986 119.800 0.008 0.000 2.084 3157 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 3157 Q C 2.291 178.294 176.000 0.006 0.000 0.978 3157 Q CA 1.427 57.234 55.803 0.007 0.000 0.844 3157 Q CB -0.227 28.515 28.738 0.006 0.000 0.898 3157 Q HN 0.362 nan 8.270 nan 0.000 0.426 3158 E N 0.176 120.379 120.200 0.005 0.000 2.047 3158 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 3158 E C 1.714 178.317 176.600 0.005 0.000 0.987 3158 E CA 1.131 57.533 56.400 0.004 0.000 0.799 3158 E CB 0.079 29.782 29.700 0.004 0.000 0.752 3158 E HN 0.368 nan 8.360 nan 0.000 0.449 3159 K N 0.209 120.613 120.400 0.005 0.000 2.057 3159 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 3159 K C 2.110 178.713 176.600 0.006 0.000 1.050 3159 K CA 1.088 57.378 56.287 0.005 0.000 0.935 3159 K CB 0.053 32.556 32.500 0.006 0.000 0.715 3159 K HN 0.028 nan 8.250 nan 0.000 0.439 3160 E N 0.088 120.292 120.200 0.007 0.000 2.051 3160 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 3160 E C 2.041 178.645 176.600 0.007 0.000 0.979 3160 E CA 1.148 57.553 56.400 0.007 0.000 0.803 3160 E CB 0.204 29.909 29.700 0.009 0.000 0.761 3160 E HN 0.073 nan 8.360 nan 0.000 0.451 3161 V N -1.506 118.412 119.914 0.007 0.000 3.484 3161 V HA 0.290 4.410 4.120 -0.000 0.000 0.252 3161 V C 1.475 177.571 176.094 0.005 0.000 1.282 3161 V CA 0.734 63.038 62.300 0.006 0.000 1.104 3161 V CB 0.717 32.545 31.823 0.007 0.000 0.868 3161 V HN 0.411 nan 8.190 nan 0.000 0.457 3162 G N 0.719 109.521 108.800 0.004 0.000 5.064 3162 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.277 3162 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.277 3162 G C 0.042 174.944 174.900 0.003 0.000 1.580 3162 G CA 0.339 45.441 45.100 0.003 0.000 1.109 3162 G HN 0.464 nan 8.290 nan 0.000 0.695 3163 D N 1.632 122.034 120.400 0.002 0.000 2.383 3163 D HA 0.509 5.149 4.640 -0.000 0.000 0.248 3163 D C 1.418 177.718 176.300 0.000 0.000 1.170 3163 D CA 1.459 55.460 54.000 0.001 0.000 0.977 3163 D CB 0.590 41.391 40.800 0.001 0.000 1.120 3163 D HN 1.826 nan 8.370 nan 0.000 0.481 3164 G N 0.086 108.885 108.800 -0.002 0.000 2.141 3164 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.231 3164 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.231 3164 G C 1.075 175.973 174.900 -0.004 0.000 0.984 3164 G CA 1.267 46.364 45.100 -0.004 0.000 0.660 3164 G HN 0.653 nan 8.290 nan 0.000 0.525 3165 T N -2.352 112.200 114.554 -0.002 0.000 2.674 3165 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 3165 T C 2.232 176.929 174.700 -0.005 0.000 1.039 3165 T CA 2.663 64.762 62.100 -0.002 0.000 1.150 3165 T CB -0.739 68.129 68.868 -0.001 0.000 0.864 3165 T HN 0.334 nan 8.240 nan 0.000 0.427 3166 T N 1.762 116.312 114.554 -0.007 0.000 2.777 3166 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 3166 T C 2.311 177.003 174.700 -0.014 0.000 1.040 3166 T CA 1.732 63.826 62.100 -0.010 0.000 1.141 3166 T CB -0.960 67.903 68.868 -0.010 0.000 0.868 3166 T HN 0.526 nan 8.240 nan 0.000 0.444 3167 T N 2.290 116.835 114.554 -0.015 0.000 2.652 3167 T HA -0.091 4.258 4.350 -0.000 0.000 0.267 3167 T C 2.418 177.105 174.700 -0.022 0.000 1.039 3167 T CA 1.324 63.411 62.100 -0.022 0.000 1.153 3167 T CB -0.630 68.225 68.868 -0.021 0.000 0.863 3167 T HN 0.435 nan 8.240 nan 0.000 0.428 3168 A N 0.774 123.586 122.820 -0.014 0.000 1.933 3168 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 3168 A C 2.604 180.184 177.584 -0.008 0.000 1.175 3168 A CA 1.316 53.348 52.037 -0.009 0.000 0.628 3168 A CB -0.955 18.044 19.000 -0.000 0.000 0.814 3168 A HN 0.359 nan 8.150 nan 0.000 0.444 3169 V N -0.567 119.341 119.914 -0.009 0.000 2.307 3169 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 3169 V C 2.578 178.663 176.094 -0.015 0.000 1.045 3169 V CA 1.926 64.220 62.300 -0.009 0.000 1.024 3169 V CB -0.630 31.188 31.823 -0.009 0.000 0.651 3169 V HN 0.369 nan 8.190 nan 0.000 0.449 3170 V N -0.690 119.212 119.914 -0.020 0.000 2.307 3170 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 3170 V C 2.423 178.496 176.094 -0.034 0.000 1.045 3170 V CA 1.999 64.284 62.300 -0.026 0.000 1.024 3170 V CB -0.274 31.531 31.823 -0.029 0.000 0.651 3170 V HN 0.412 nan 8.190 nan 0.000 0.449 3171 V N 0.111 120.001 119.914 -0.041 0.000 2.358 3171 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 3171 V C 2.595 178.663 176.094 -0.044 0.000 1.047 3171 V CA 2.098 64.362 62.300 -0.060 0.000 1.035 3171 V CB -0.372 31.407 31.823 -0.072 0.000 0.658 3171 V HN 0.520 nan 8.190 nan 0.000 0.452 3172 A N -0.190 122.618 122.820 -0.020 0.000 1.933 3172 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 3172 A C 2.307 179.896 177.584 0.009 0.000 1.175 3172 A CA 1.885 53.925 52.037 0.004 0.000 0.628 3172 A CB -1.220 17.786 19.000 0.011 0.000 0.814 3172 A HN 0.617 nan 8.150 nan 0.000 0.444 3173 G N -0.648 108.149 108.800 -0.005 0.000 2.414 3173 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.215 3173 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.215 3173 G C 1.429 176.328 174.900 -0.003 0.000 1.188 3173 G CA 0.854 45.950 45.100 -0.005 0.000 0.783 3173 G HN 0.451 nan 8.290 nan 0.000 0.537 3174 E N 0.393 120.584 120.200 -0.015 0.000 2.106 3174 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 3174 E C 2.694 179.294 176.600 0.000 0.000 0.984 3174 E CA 0.383 56.772 56.400 -0.018 0.000 0.806 3174 E CB -0.249 29.426 29.700 -0.043 0.000 0.750 3174 E HN 0.415 nan 8.360 nan 0.000 0.458 3175 L N 0.132 121.356 121.223 0.001 0.000 2.056 3175 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 3175 L C 2.395 179.355 176.870 0.150 0.000 1.078 3175 L CA 0.530 55.404 54.840 0.057 0.000 0.749 3175 L CB -0.284 41.791 42.059 0.027 0.000 0.901 3175 L HN 0.132 nan 8.230 nan 0.000 0.433 3176 L N -0.371 120.906 121.223 0.090 0.000 2.093 3176 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 3176 L C 2.674 179.575 176.870 0.052 0.000 1.085 3176 L CA 1.537 56.421 54.840 0.073 0.000 0.755 3176 L CB -0.779 41.305 42.059 0.043 0.000 0.904 3176 L HN 0.163 nan 8.230 nan 0.000 0.435 3177 R N -0.359 120.163 120.500 0.037 0.000 2.066 3177 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 3177 R C 2.281 178.603 176.300 0.035 0.000 1.131 3177 R CA 1.571 57.685 56.100 0.023 0.000 0.955 3177 R CB -0.060 30.246 30.300 0.009 0.000 0.851 3177 R HN 0.056 nan 8.270 nan 0.000 0.432 3178 K N 0.366 120.799 120.400 0.055 0.000 2.148 3178 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 3178 K C 1.668 178.324 176.600 0.094 0.000 1.050 3178 K CA 1.505 57.836 56.287 0.075 0.000 0.942 3178 K CB -0.204 32.351 32.500 0.092 0.000 0.724 3178 K HN 0.298 nan 8.250 nan 0.000 0.446 3179 A N 0.704 123.589 122.820 0.108 0.000 1.930 3179 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 3179 A C 2.113 179.704 177.584 0.012 0.000 1.175 3179 A CA 1.518 53.586 52.037 0.051 0.000 0.627 3179 A CB -0.525 18.503 19.000 0.048 0.000 0.815 3179 A HN 0.419 nan 8.150 nan 0.000 0.443 3180 E N 0.139 120.350 120.200 0.019 0.000 2.204 3180 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 3180 E C 1.848 178.451 176.600 0.004 0.000 0.989 3180 E CA 1.215 57.618 56.400 0.005 0.000 0.824 3180 E CB -0.157 29.546 29.700 0.005 0.000 0.756 3180 E HN 0.789 nan 8.360 nan 0.000 0.477 3181 E N 0.133 120.341 120.200 0.014 0.000 2.204 3181 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 3181 E C 2.229 178.835 176.600 0.010 0.000 0.990 3181 E CA 0.603 57.011 56.400 0.013 0.000 0.821 3181 E CB 0.038 29.750 29.700 0.021 0.000 0.750 3181 E HN 0.279 nan 8.360 nan 0.000 0.477 3182 L N 0.251 121.479 121.223 0.008 0.000 2.131 3182 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 3182 L C 2.459 179.323 176.870 -0.010 0.000 1.087 3182 L CA 0.470 55.310 54.840 0.000 0.000 0.767 3182 L CB -0.291 41.762 42.059 -0.010 0.000 0.917 3182 L HN 0.209 nan 8.230 nan 0.000 0.441 3183 L N -0.097 121.116 121.223 -0.017 0.000 2.046 3183 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 3183 L C 2.172 179.029 176.870 -0.022 0.000 1.077 3183 L CA 1.456 56.279 54.840 -0.028 0.000 0.747 3183 L CB -0.511 41.529 42.059 -0.031 0.000 0.896 3183 L HN 0.283 nan 8.230 nan 0.000 0.432 3184 D N -0.799 119.593 120.400 -0.012 0.000 2.219 3184 D HA -0.183 4.457 4.640 -0.000 0.000 0.205 3184 D C 2.128 178.425 176.300 -0.005 0.000 0.970 3184 D CA 0.797 54.792 54.000 -0.008 0.000 0.851 3184 D CB 0.192 40.990 40.800 -0.003 0.000 0.943 3184 D HN 0.142 nan 8.370 nan 0.000 0.488 3185 Q N 0.166 119.964 119.800 -0.003 0.000 2.482 3185 Q HA 0.037 4.377 4.340 -0.000 0.000 0.209 3185 Q C 0.007 176.006 176.000 -0.001 0.000 0.961 3185 Q CA 0.295 56.099 55.803 0.000 0.000 0.945 3185 Q CB -0.032 28.709 28.738 0.005 0.000 1.012 3185 Q HN 0.366 nan 8.270 nan 0.000 0.515 3186 N N -0.387 118.308 118.700 -0.008 0.000 2.814 3186 N HA -0.124 4.616 4.740 -0.000 0.000 0.247 3186 N C -1.190 174.320 175.510 -0.000 0.000 1.089 3186 N CA 0.381 53.425 53.050 -0.011 0.000 0.682 3186 N CB -1.698 36.786 38.487 -0.006 0.000 0.970 3186 N HN -0.026 nan 8.380 nan 0.000 0.554 3187 V N 1.723 121.636 119.914 -0.001 0.000 2.328 3187 V HA 0.122 4.242 4.120 -0.000 0.000 0.278 3187 V C 0.914 177.026 176.094 0.029 0.000 1.021 3187 V CA -0.767 61.544 62.300 0.018 0.000 0.838 3187 V CB 1.323 33.150 31.823 0.008 0.000 0.999 3187 V HN 0.331 nan 8.190 nan 0.000 0.447 3188 H N 9.457 128.511 119.070 -0.025 0.000 3.167 3188 H HA 0.001 4.557 4.556 0.000 0.000 0.306 3188 H C -1.410 173.893 175.328 -0.041 0.000 0.965 3188 H CA -1.102 54.930 56.048 -0.027 0.000 1.408 3188 H CB 1.482 31.231 29.762 -0.022 0.000 1.406 3188 H HN 0.373 nan 8.280 nan 0.000 0.576 3189 P HA -0.157 nan 4.420 nan 0.000 0.219 3189 P C 1.511 178.901 177.300 0.149 0.000 1.146 3189 P CA 1.335 64.486 63.100 0.085 0.000 0.808 3189 P CB 0.097 31.802 31.700 0.008 0.000 0.779 3190 T N -0.796 113.964 114.554 0.343 0.000 2.881 3190 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 3190 T C 1.774 176.457 174.700 -0.028 0.000 1.068 3190 T CA 0.838 62.963 62.100 0.042 0.000 1.131 3190 T CB -0.646 68.092 68.868 -0.217 0.000 0.871 3190 T HN -0.007 nan 8.240 nan 0.000 0.479 3191 I N 0.169 120.737 120.570 -0.003 0.000 2.233 3191 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 3191 I C 2.453 178.525 176.117 -0.076 0.000 1.093 3191 I CA 0.718 61.997 61.300 -0.034 0.000 1.380 3191 I CB -0.353 37.643 38.000 -0.007 0.000 1.067 3191 I HN 0.087 nan 8.210 nan 0.000 0.413 3192 V N 0.393 120.242 119.914 -0.109 0.000 2.287 3192 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 3192 V C 2.411 178.259 176.094 -0.410 0.000 1.053 3192 V CA 1.880 64.008 62.300 -0.287 0.000 1.027 3192 V CB -0.530 31.122 31.823 -0.285 0.000 0.646 3192 V HN 0.360 nan 8.190 nan 0.000 0.447 3193 V N -0.306 119.485 119.914 -0.206 0.000 2.427 3193 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 3193 V C 2.579 178.654 176.094 -0.032 0.000 1.051 3193 V CA 2.295 64.537 62.300 -0.098 0.000 1.048 3193 V CB -0.404 31.406 31.823 -0.022 0.000 0.666 3193 V HN 0.507 nan 8.190 nan 0.000 0.456 3194 K N 0.146 120.518 120.400 -0.047 0.000 2.025 3194 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 3194 K C 2.116 178.706 176.600 -0.017 0.000 1.049 3194 K CA 1.691 57.962 56.287 -0.027 0.000 0.933 3194 K CB -0.945 31.532 32.500 -0.038 0.000 0.714 3194 K HN 0.555 nan 8.250 nan 0.000 0.438 3195 G N 0.275 109.060 108.800 -0.024 0.000 2.440 3195 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 3195 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 3195 G C 1.403 176.365 174.900 0.102 0.000 1.154 3195 G CA 0.698 45.813 45.100 0.025 0.000 0.767 3195 G HN 0.253 nan 8.290 nan 0.000 0.552 3196 Y N 0.887 121.160 120.300 -0.046 0.000 2.200 3196 Y HA -0.051 4.498 4.550 -0.000 0.000 0.290 3196 Y C 3.113 178.865 175.900 -0.247 0.000 1.137 3196 Y CA 0.728 58.780 58.100 -0.080 0.000 1.163 3196 Y CB -0.780 37.781 38.460 0.169 0.000 0.988 3196 Y HN 0.199 nan 8.280 nan 0.000 0.518 3197 Q N -0.304 119.531 119.800 0.058 0.000 2.030 3197 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 3197 Q C 2.596 178.532 176.000 -0.108 0.000 0.986 3197 Q CA 1.638 57.433 55.803 -0.014 0.000 0.843 3197 Q CB -0.717 28.025 28.738 0.006 0.000 0.904 3197 Q HN 0.451 nan 8.270 nan 0.000 0.420 3198 A N 1.038 123.797 122.820 -0.100 0.000 1.883 3198 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 3198 A C 2.323 179.801 177.584 -0.176 0.000 1.186 3198 A CA 2.164 54.136 52.037 -0.108 0.000 0.624 3198 A CB -0.753 18.206 19.000 -0.068 0.000 0.822 3198 A HN 0.400 nan 8.150 nan 0.000 0.444 3199 A N -0.341 122.292 122.820 -0.312 0.000 1.930 3199 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 3199 A C 2.490 179.708 177.584 -0.611 0.000 1.175 3199 A CA 1.975 53.730 52.037 -0.471 0.000 0.627 3199 A CB -0.953 17.626 19.000 -0.701 0.000 0.815 3199 A HN 1.038 nan 8.150 nan 0.000 0.443 3200 A N -1.084 121.274 122.820 -0.771 0.000 1.877 3200 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 3200 A C 2.212 179.735 177.584 -0.101 0.000 1.186 3200 A CA 1.791 53.635 52.037 -0.322 0.000 0.620 3200 A CB -0.534 18.387 19.000 -0.132 0.000 0.822 3200 A HN 0.506 nan 8.150 nan 0.000 0.443 3201 Q N -0.125 119.613 119.800 -0.104 0.000 2.124 3201 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 3201 Q C 2.006 177.984 176.000 -0.035 0.000 0.977 3201 Q CA 2.110 57.883 55.803 -0.049 0.000 0.850 3201 Q CB -0.173 28.536 28.738 -0.049 0.000 0.901 3201 Q HN 0.539 nan 8.270 nan 0.000 0.429 3202 K N 0.378 120.748 120.400 -0.050 0.000 2.211 3202 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 3202 K C 1.749 178.375 176.600 0.043 0.000 1.050 3202 K CA 1.230 57.515 56.287 -0.005 0.000 0.945 3202 K CB -0.492 32.015 32.500 0.012 0.000 0.732 3202 K HN 0.192 nan 8.250 nan 0.000 0.451 3203 A N 0.585 123.426 122.820 0.034 0.000 1.933 3203 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 3203 A C 2.075 179.696 177.584 0.063 0.000 1.175 3203 A CA 1.628 53.713 52.037 0.081 0.000 0.628 3203 A CB -0.493 18.593 19.000 0.143 0.000 0.814 3203 A HN 0.510 nan 8.150 nan 0.000 0.444 3204 Q N -0.631 119.194 119.800 0.042 0.000 2.119 3204 Q HA -0.183 4.157 4.340 -0.000 0.000 0.201 3204 Q C 1.985 178.002 176.000 0.028 0.000 0.972 3204 Q CA 1.553 57.376 55.803 0.032 0.000 0.847 3204 Q CB -0.151 28.600 28.738 0.022 0.000 0.903 3204 Q HN 0.777 nan 8.270 nan 0.000 0.433 3205 E N 0.584 120.800 120.200 0.026 0.000 2.051 3205 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 3205 E C 2.047 178.672 176.600 0.040 0.000 0.991 3205 E CA 0.863 57.279 56.400 0.025 0.000 0.799 3205 E CB -0.075 29.634 29.700 0.015 0.000 0.748 3205 E HN 0.297 nan 8.360 nan 0.000 0.449 3206 L N 0.461 121.720 121.223 0.060 0.000 2.083 3206 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 3206 L C 2.369 179.269 176.870 0.050 0.000 1.083 3206 L CA 0.437 55.320 54.840 0.071 0.000 0.752 3206 L CB -0.281 41.833 42.059 0.091 0.000 0.899 3206 L HN 0.169 nan 8.230 nan 0.000 0.433 3207 L N -0.093 121.155 121.223 0.042 0.000 2.046 3207 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 3207 L C 2.491 179.377 176.870 0.026 0.000 1.077 3207 L CA 1.750 56.608 54.840 0.031 0.000 0.747 3207 L CB -0.668 41.408 42.059 0.028 0.000 0.896 3207 L HN 0.145 nan 8.230 nan 0.000 0.432 3208 K N -1.579 118.836 120.400 0.025 0.000 2.148 3208 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 3208 K C 1.889 178.502 176.600 0.022 0.000 1.050 3208 K CA 1.566 57.865 56.287 0.020 0.000 0.942 3208 K CB -0.194 32.316 32.500 0.017 0.000 0.724 3208 K HN 0.333 nan 8.250 nan 0.000 0.446 3209 T N 1.770 116.341 114.554 0.028 0.000 2.851 3209 T HA -0.036 4.314 4.350 -0.000 0.000 0.262 3209 T C 1.898 176.616 174.700 0.031 0.000 1.043 3209 T CA 1.107 63.225 62.100 0.031 0.000 1.140 3209 T CB -0.092 68.801 68.868 0.041 0.000 0.872 3209 T HN 0.361 nan 8.240 nan 0.000 0.446 3210 I N -0.096 120.494 120.570 0.034 0.000 3.226 3210 I HA 0.416 4.586 4.170 -0.000 0.000 0.277 3210 I C 1.147 177.281 176.117 0.028 0.000 1.243 3210 I CA -0.459 60.862 61.300 0.035 0.000 1.459 3210 I CB -0.525 37.500 38.000 0.042 0.000 1.093 3210 I HN -0.050 nan 8.210 nan 0.000 0.453 3211 A N 1.514 124.348 122.820 0.023 0.000 2.567 3211 A HA 0.075 4.395 4.320 -0.000 0.000 0.240 3211 A C 0.202 177.796 177.584 0.016 0.000 1.053 3211 A CA -0.010 52.038 52.037 0.018 0.000 0.755 3211 A CB -0.246 18.763 19.000 0.015 0.000 0.978 3211 A HN 0.640 nan 8.150 nan 0.000 0.507 3212 C N 4.082 123.390 119.300 0.015 0.000 2.281 3212 C HA 0.499 4.959 4.460 -0.000 0.000 0.336 3212 C C 0.282 175.278 174.990 0.010 0.000 1.217 3212 C CA -0.737 58.288 59.018 0.013 0.000 1.730 3212 C CB -1.484 26.264 27.740 0.013 0.000 2.338 3212 C HN 0.886 nan 8.230 nan 0.000 0.521 3213 E N 3.296 123.501 120.200 0.009 0.000 2.360 3213 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 3213 E C 0.112 176.716 176.600 0.007 0.000 1.022 3213 E CA 0.113 56.517 56.400 0.008 0.000 0.887 3213 E CB 0.913 30.617 29.700 0.007 0.000 0.990 3213 E HN 0.678 nan 8.360 nan 0.000 0.426 3214 V N -0.928 118.989 119.914 0.006 0.000 3.130 3214 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 3214 V C 0.381 176.478 176.094 0.005 0.000 1.158 3214 V CA -1.243 61.060 62.300 0.006 0.000 1.029 3214 V CB 1.803 33.630 31.823 0.006 0.000 1.057 3214 V HN 0.653 nan 8.190 nan 0.000 0.436 3215 G N 0.519 109.322 108.800 0.005 0.000 2.335 3215 G HA2 0.476 4.436 3.960 -0.000 0.000 0.268 3215 G HA3 0.476 4.436 3.960 -0.000 0.000 0.268 3215 G C 1.012 175.915 174.900 0.005 0.000 1.228 3215 G CA 0.234 45.337 45.100 0.004 0.000 0.968 3215 G HN 1.662 nan 8.290 nan 0.000 0.459 3216 A N 2.758 125.580 122.820 0.004 0.000 1.917 3216 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 3216 A C 1.949 179.536 177.584 0.005 0.000 1.182 3216 A CA 1.514 53.554 52.037 0.004 0.000 0.633 3216 A CB -0.124 18.878 19.000 0.004 0.000 0.819 3216 A HN 0.658 nan 8.150 nan 0.000 0.448 3217 Q N -0.308 119.494 119.800 0.005 0.000 2.201 3217 Q HA 0.088 4.428 4.340 -0.000 0.000 0.236 3217 Q C -0.713 175.291 176.000 0.006 0.000 0.857 3217 Q CA -0.407 55.399 55.803 0.005 0.000 1.025 3217 Q CB 0.362 29.102 28.738 0.005 0.000 1.124 3217 Q HN 0.559 nan 8.270 nan 0.000 0.473 3218 D N 1.339 121.742 120.400 0.006 0.000 2.382 3218 D HA -0.049 4.591 4.640 -0.000 0.000 0.259 3218 D C 0.906 177.210 176.300 0.007 0.000 1.224 3218 D CA 0.276 54.280 54.000 0.006 0.000 0.894 3218 D CB 1.170 41.974 40.800 0.006 0.000 1.127 3218 D HN -0.073 nan 8.370 nan 0.000 0.487 3219 K N 3.979 124.383 120.400 0.008 0.000 2.000 3219 K HA -0.272 4.048 4.320 -0.000 0.000 0.218 3219 K C 1.622 178.227 176.600 0.009 0.000 1.053 3219 K CA 2.121 58.413 56.287 0.008 0.000 0.946 3219 K CB -0.315 32.190 32.500 0.008 0.000 0.723 3219 K HN 0.422 nan 8.250 nan 0.000 0.446 3220 E N 0.304 120.509 120.200 0.008 0.000 2.049 3220 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 3220 E C 1.979 178.585 176.600 0.009 0.000 1.007 3220 E CA 2.104 58.508 56.400 0.008 0.000 0.809 3220 E CB -0.378 29.326 29.700 0.007 0.000 0.749 3220 E HN 0.470 nan 8.360 nan 0.000 0.450 3221 I N -0.047 120.528 120.570 0.008 0.000 2.361 3221 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 3221 I C 1.869 177.992 176.117 0.010 0.000 1.133 3221 I CA 0.312 61.617 61.300 0.009 0.000 1.413 3221 I CB -0.166 37.839 38.000 0.008 0.000 1.073 3221 I HN 0.189 nan 8.210 nan 0.000 0.424 3222 L N 0.236 121.465 121.223 0.009 0.000 2.046 3222 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 3222 L C 2.578 179.455 176.870 0.011 0.000 1.077 3222 L CA 1.970 56.816 54.840 0.010 0.000 0.747 3222 L CB -1.271 40.793 42.059 0.010 0.000 0.896 3222 L HN 0.184 nan 8.230 nan 0.000 0.432 3223 T N -1.353 113.208 114.554 0.011 0.000 2.833 3223 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 3223 T C 1.992 176.700 174.700 0.014 0.000 1.054 3223 T CA 1.121 63.228 62.100 0.012 0.000 1.135 3223 T CB -0.026 68.849 68.868 0.011 0.000 0.869 3223 T HN 0.061 nan 8.240 nan 0.000 0.466 3224 K N 0.900 121.308 120.400 0.014 0.000 2.057 3224 K HA 0.173 4.493 4.320 -0.000 0.000 0.206 3224 K C 1.997 178.607 176.600 0.018 0.000 1.050 3224 K CA 0.786 57.083 56.287 0.016 0.000 0.935 3224 K CB -0.462 32.046 32.500 0.014 0.000 0.715 3224 K HN 0.339 nan 8.250 nan 0.000 0.439 3225 I N 0.191 120.770 120.570 0.015 0.000 2.142 3225 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 3225 I C 2.224 178.352 176.117 0.019 0.000 1.078 3225 I CA 1.348 62.657 61.300 0.016 0.000 1.343 3225 I CB -0.439 37.568 38.000 0.013 0.000 1.046 3225 I HN 0.145 nan 8.210 nan 0.000 0.405 3226 A N 0.573 123.403 122.820 0.017 0.000 1.841 3226 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 3226 A C 2.431 180.027 177.584 0.020 0.000 1.199 3226 A CA 2.195 54.242 52.037 0.017 0.000 0.621 3226 A CB -0.849 18.160 19.000 0.014 0.000 0.835 3226 A HN 0.433 nan 8.150 nan 0.000 0.445 3227 M N -0.651 118.961 119.600 0.020 0.000 2.149 3227 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 3227 M C 2.056 178.375 176.300 0.031 0.000 1.064 3227 M CA 2.143 57.456 55.300 0.021 0.000 1.102 3227 M CB -0.352 32.259 32.600 0.019 0.000 1.369 3227 M HN 0.495 nan 8.290 nan 0.000 0.408 3228 T N 0.032 114.608 114.554 0.037 0.000 2.788 3228 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 3228 T C 1.820 176.562 174.700 0.069 0.000 1.044 3228 T CA 1.746 63.879 62.100 0.054 0.000 1.139 3228 T CB -0.188 68.705 68.868 0.043 0.000 0.867 3228 T HN 0.446 nan 8.240 nan 0.000 0.454 3229 S N 1.149 116.879 115.700 0.050 0.000 2.345 3229 S HA 0.023 4.493 4.470 -0.000 0.000 0.220 3229 S C 2.061 176.689 174.600 0.047 0.000 1.031 3229 S CA 0.920 59.151 58.200 0.051 0.000 0.996 3229 S CB -0.397 62.823 63.200 0.034 0.000 0.882 3229 S HN 0.421 nan 8.310 nan 0.000 0.445 3230 I N 1.796 122.385 120.570 0.030 0.000 2.286 3230 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 3230 I C 1.141 177.261 176.117 0.005 0.000 1.115 3230 I CA 0.651 61.959 61.300 0.014 0.000 1.392 3230 I CB -1.019 36.986 38.000 0.009 0.000 1.065 3230 I HN 0.330 nan 8.210 nan 0.000 0.418 3231 T N 0.097 114.662 114.554 0.019 0.000 2.934 3231 T HA 0.305 4.655 4.350 -0.000 0.000 0.306 3231 T C 1.091 175.766 174.700 -0.042 0.000 1.042 3231 T CA 0.139 62.239 62.100 0.001 0.000 1.145 3231 T CB 1.105 69.996 68.868 0.037 0.000 0.982 3231 T HN 0.646 nan 8.240 nan 0.000 0.544 3232 G N 1.945 110.664 108.800 -0.134 0.000 2.157 3232 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 3232 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 3232 G C -0.066 174.720 174.900 -0.190 0.000 0.982 3232 G CA 0.206 45.133 45.100 -0.288 0.000 0.650 3232 G HN 0.904 nan 8.290 nan 0.000 0.527 3233 K N -0.951 119.384 120.400 -0.108 0.000 2.352 3233 K HA 0.610 4.930 4.320 -0.000 0.000 0.240 3233 K C 1.610 178.165 176.600 -0.074 0.000 1.017 3233 K CA -0.557 55.682 56.287 -0.081 0.000 0.851 3233 K CB 1.269 33.740 32.500 -0.049 0.000 1.261 3233 K HN 0.174 nan 8.250 nan 0.000 0.451 3234 G N 0.514 109.270 108.800 -0.074 0.000 2.442 3234 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 3234 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 3234 G C 1.207 176.077 174.900 -0.049 0.000 1.141 3234 G CA 1.263 46.323 45.100 -0.066 0.000 0.763 3234 G HN 0.613 nan 8.290 nan 0.000 0.554 3235 A N 0.275 123.069 122.820 -0.043 0.000 2.209 3235 A HA 0.122 4.442 4.320 -0.000 0.000 0.212 3235 A C 2.018 179.588 177.584 -0.024 0.000 1.158 3235 A CA 1.457 53.477 52.037 -0.028 0.000 0.742 3235 A CB -0.248 18.739 19.000 -0.021 0.000 0.790 3235 A HN 0.369 nan 8.150 nan 0.000 0.472 3236 E N 0.965 121.146 120.200 -0.031 0.000 2.267 3236 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 3236 E C 1.150 177.738 176.600 -0.020 0.000 0.998 3236 E CA 0.912 57.297 56.400 -0.026 0.000 0.830 3236 E CB -0.115 29.561 29.700 -0.040 0.000 0.751 3236 E HN 0.443 nan 8.360 nan 0.000 0.491 3237 K N -0.165 120.222 120.400 -0.021 0.000 2.160 3237 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 3237 K C 1.258 177.851 176.600 -0.010 0.000 1.047 3237 K CA 1.251 57.528 56.287 -0.016 0.000 0.930 3237 K CB -0.109 32.381 32.500 -0.017 0.000 0.720 3237 K HN 0.112 nan 8.250 nan 0.000 0.450 3238 A N 1.451 124.265 122.820 -0.009 0.000 2.855 3238 A HA 0.106 4.426 4.320 -0.000 0.000 0.301 3238 A C 1.312 178.895 177.584 -0.002 0.000 1.076 3238 A CA -0.447 51.588 52.037 -0.004 0.000 1.004 3238 A CB 0.002 19.001 19.000 -0.002 0.000 1.152 3238 A HN 0.272 nan 8.150 nan 0.000 0.531 3239 K N -0.172 120.226 120.400 -0.002 0.000 2.147 3239 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 3239 K C 0.930 177.533 176.600 0.005 0.000 1.049 3239 K CA 1.814 58.102 56.287 0.002 0.000 0.936 3239 K CB -0.074 32.427 32.500 0.002 0.000 0.722 3239 K HN 0.314 nan 8.250 nan 0.000 0.446 3240 E N 1.624 121.827 120.200 0.004 0.000 2.028 3240 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 3240 E C 1.985 178.589 176.600 0.006 0.000 0.988 3240 E CA 1.378 57.781 56.400 0.006 0.000 0.799 3240 E CB -0.052 29.651 29.700 0.005 0.000 0.755 3240 E HN 0.372 nan 8.360 nan 0.000 0.447 3241 K N 0.218 120.621 120.400 0.005 0.000 2.026 3241 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 3241 K C 1.809 178.414 176.600 0.008 0.000 1.048 3241 K CA 0.899 57.190 56.287 0.007 0.000 0.929 3241 K CB -0.050 32.453 32.500 0.006 0.000 0.713 3241 K HN -0.003 nan 8.250 nan 0.000 0.439 3242 L N 1.062 122.290 121.223 0.008 0.000 2.046 3242 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 3242 L C 2.470 179.346 176.870 0.010 0.000 1.077 3242 L CA 1.984 56.829 54.840 0.009 0.000 0.747 3242 L CB -1.056 41.007 42.059 0.007 0.000 0.896 3242 L HN 0.255 nan 8.230 nan 0.000 0.432 3243 A N -0.998 121.828 122.820 0.010 0.000 1.933 3243 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 3243 A C 2.304 179.895 177.584 0.011 0.000 1.175 3243 A CA 1.714 53.757 52.037 0.011 0.000 0.628 3243 A CB -0.456 18.551 19.000 0.012 0.000 0.814 3243 A HN 0.406 nan 8.150 nan 0.000 0.444 3244 E N 0.737 120.943 120.200 0.011 0.000 2.028 3244 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 3244 E C 1.867 178.474 176.600 0.013 0.000 0.988 3244 E CA 1.728 58.134 56.400 0.011 0.000 0.799 3244 E CB -0.501 29.206 29.700 0.010 0.000 0.755 3244 E HN 0.724 nan 8.360 nan 0.000 0.447 3245 I N -1.462 119.116 120.570 0.013 0.000 2.286 3245 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 3245 I C 2.220 178.345 176.117 0.015 0.000 1.115 3245 I CA 1.266 62.575 61.300 0.015 0.000 1.392 3245 I CB -0.455 37.554 38.000 0.016 0.000 1.065 3245 I HN 0.038 nan 8.210 nan 0.000 0.418 3246 I N 0.968 121.546 120.570 0.013 0.000 2.202 3246 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 3246 I C 2.659 178.783 176.117 0.012 0.000 1.091 3246 I CA 1.026 62.333 61.300 0.013 0.000 1.368 3246 I CB -0.278 37.729 38.000 0.012 0.000 1.058 3246 I HN 0.085 nan 8.210 nan 0.000 0.410 3247 V N 0.828 120.749 119.914 0.012 0.000 2.343 3247 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 3247 V C 2.522 178.624 176.094 0.013 0.000 1.051 3247 V CA 2.150 64.457 62.300 0.012 0.000 1.036 3247 V CB -0.581 31.249 31.823 0.012 0.000 0.654 3247 V HN 0.436 nan 8.190 nan 0.000 0.451 3248 E N 0.883 121.092 120.200 0.015 0.000 2.072 3248 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 3248 E C 2.115 178.725 176.600 0.018 0.000 0.985 3248 E CA 1.673 58.084 56.400 0.017 0.000 0.801 3248 E CB -0.505 29.206 29.700 0.018 0.000 0.750 3248 E HN 0.484 nan 8.360 nan 0.000 0.452 3249 A N 0.227 123.057 122.820 0.016 0.000 1.883 3249 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 3249 A C 2.529 180.121 177.584 0.014 0.000 1.186 3249 A CA 1.945 53.991 52.037 0.015 0.000 0.624 3249 A CB -0.964 18.044 19.000 0.013 0.000 0.822 3249 A HN 0.206 nan 8.150 nan 0.000 0.444 3250 V N -0.474 119.447 119.914 0.012 0.000 2.295 3250 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 3250 V C 2.792 178.893 176.094 0.011 0.000 1.049 3250 V CA 2.324 64.629 62.300 0.010 0.000 1.024 3250 V CB -0.924 30.905 31.823 0.009 0.000 0.648 3250 V HN 0.664 nan 8.190 nan 0.000 0.447 3251 S N -0.215 115.492 115.700 0.012 0.000 2.383 3251 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 3251 S C 2.074 176.683 174.600 0.015 0.000 1.030 3251 S CA 1.704 59.912 58.200 0.012 0.000 1.002 3251 S CB -0.312 62.896 63.200 0.014 0.000 0.829 3251 S HN 0.622 nan 8.310 nan 0.000 0.467 3252 A N 0.835 123.667 122.820 0.020 0.000 1.898 3252 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 3252 A C 2.371 179.967 177.584 0.021 0.000 1.181 3252 A CA 1.735 53.788 52.037 0.027 0.000 0.620 3252 A CB -0.938 18.082 19.000 0.034 0.000 0.819 3252 A HN 0.944 nan 8.150 nan 0.000 0.442 3253 V N -3.168 116.755 119.914 0.015 0.000 2.951 3253 V HA -0.001 4.119 4.120 -0.000 0.000 0.255 3253 V C 2.059 178.157 176.094 0.006 0.000 1.088 3253 V CA 1.435 63.742 62.300 0.010 0.000 1.109 3253 V CB -0.542 31.285 31.823 0.007 0.000 0.724 3253 V HN 0.179 nan 8.190 nan 0.000 0.471 3254 V N 0.586 120.504 119.914 0.006 0.000 2.626 3254 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 3254 V C 1.699 177.794 176.094 0.000 0.000 1.067 3254 V CA 2.446 64.748 62.300 0.003 0.000 1.081 3254 V CB -0.517 31.308 31.823 0.004 0.000 0.686 3254 V HN 0.850 nan 8.190 nan 0.000 0.468 3255 D N -0.733 119.667 120.400 -0.000 0.000 4.508 3255 D HA -0.222 4.418 4.640 -0.000 0.000 0.178 3255 D C 0.637 176.933 176.300 -0.007 0.000 0.644 3255 D CA 1.991 55.987 54.000 -0.006 0.000 1.244 3255 D CB -1.207 39.589 40.800 -0.007 0.000 0.727 3255 D HN 0.577 nan 8.370 nan 0.000 0.495 3256 D N 1.329 121.725 120.400 -0.007 0.000 2.377 3256 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 3256 D C -0.213 176.085 176.300 -0.003 0.000 1.196 3256 D CA 0.101 54.097 54.000 -0.006 0.000 0.962 3256 D CB 0.619 41.415 40.800 -0.007 0.000 1.127 3256 D HN 0.290 nan 8.370 nan 0.000 0.471 3257 E N 0.338 120.536 120.200 -0.003 0.000 2.136 3257 E HA 0.512 4.862 4.350 -0.000 0.000 0.246 3257 E C -0.924 175.676 176.600 -0.001 0.000 1.017 3257 E CA -0.590 55.810 56.400 -0.001 0.000 0.883 3257 E CB -0.415 29.284 29.700 -0.001 0.000 1.199 3257 E HN 0.494 nan 8.360 nan 0.000 0.447 3258 G N 2.370 111.169 108.800 -0.000 0.000 2.405 3258 G HA2 0.232 4.192 3.960 -0.000 0.000 0.303 3258 G HA3 0.232 4.192 3.960 -0.000 0.000 0.303 3258 G C -1.923 172.977 174.900 0.000 0.000 1.644 3258 G CA -0.936 44.163 45.100 -0.000 0.000 0.899 3258 G HN 0.210 nan 8.290 nan 0.000 0.667 3259 K N 0.367 120.767 120.400 -0.000 0.000 2.427 3259 K HA 0.778 5.098 4.320 -0.000 0.000 0.252 3259 K C -1.292 175.309 176.600 0.001 0.000 0.931 3259 K CA -0.776 55.511 56.287 0.000 0.000 0.793 3259 K CB 2.345 34.845 32.500 -0.000 0.000 1.211 3259 K HN 1.020 nan 8.250 nan 0.000 0.426 3260 V N 2.884 122.799 119.914 0.001 0.000 2.555 3260 V HA 0.563 4.683 4.120 -0.000 0.000 0.302 3260 V C -1.579 174.515 176.094 0.001 0.000 1.038 3260 V CA -0.525 61.776 62.300 0.001 0.000 0.887 3260 V CB 1.843 33.667 31.823 0.003 0.000 0.991 3260 V HN 0.894 nan 8.190 nan 0.000 0.434 3261 D N 4.698 125.098 120.400 0.000 0.000 2.461 3261 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 3261 D C 0.770 177.069 176.300 -0.001 0.000 1.094 3261 D CA -0.300 53.700 54.000 -0.001 0.000 0.868 3261 D CB 1.628 42.426 40.800 -0.003 0.000 1.062 3261 D HN 0.658 nan 8.370 nan 0.000 0.530 3262 K N 2.598 122.998 120.400 -0.001 0.000 2.520 3262 K HA -0.188 4.132 4.320 -0.000 0.000 0.197 3262 K C 0.823 177.421 176.600 -0.003 0.000 1.043 3262 K CA 0.878 57.164 56.287 -0.001 0.000 0.944 3262 K CB 0.235 32.735 32.500 0.001 0.000 0.770 3262 K HN 0.281 nan 8.250 nan 0.000 0.480 3263 D N 0.231 120.628 120.400 -0.005 0.000 2.264 3263 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 3263 D C 1.320 177.614 176.300 -0.011 0.000 0.966 3263 D CA 0.733 54.728 54.000 -0.009 0.000 0.864 3263 D CB 0.176 40.971 40.800 -0.009 0.000 0.933 3263 D HN 0.258 nan 8.370 nan 0.000 0.499 3264 L N -0.106 121.112 121.223 -0.008 0.000 2.591 3264 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 3264 L C 0.270 177.136 176.870 -0.007 0.000 1.133 3264 L CA 0.123 54.958 54.840 -0.009 0.000 0.880 3264 L CB 0.142 42.198 42.059 -0.004 0.000 1.033 3264 L HN 0.011 nan 8.230 nan 0.000 0.450 3265 I N 0.701 121.267 120.570 -0.006 0.000 2.405 3265 I HA 0.181 4.351 4.170 -0.000 0.000 0.280 3265 I C 0.126 176.239 176.117 -0.008 0.000 1.027 3265 I CA -0.325 60.973 61.300 -0.004 0.000 1.161 3265 I CB 1.259 39.259 38.000 0.001 0.000 1.300 3265 I HN -0.006 nan 8.210 nan 0.000 0.463 3266 K N 6.352 126.744 120.400 -0.013 0.000 2.185 3266 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 3266 K C -0.738 175.854 176.600 -0.013 0.000 1.013 3266 K CA -0.470 55.806 56.287 -0.018 0.000 0.943 3266 K CB 1.060 33.542 32.500 -0.031 0.000 0.998 3266 K HN 0.437 nan 8.250 nan 0.000 0.468 3267 I N 3.930 124.492 120.570 -0.012 0.000 2.390 3267 I HA 0.166 4.336 4.170 -0.000 0.000 0.283 3267 I C -0.556 175.555 176.117 -0.010 0.000 1.016 3267 I CA -0.624 60.672 61.300 -0.006 0.000 1.151 3267 I CB 0.977 38.977 38.000 -0.000 0.000 1.293 3267 I HN 0.686 nan 8.210 nan 0.000 0.458 3268 E N 7.559 127.751 120.200 -0.013 0.000 2.151 3268 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 3268 E C -0.889 175.711 176.600 0.000 0.000 0.936 3268 E CA -0.624 55.766 56.400 -0.016 0.000 0.777 3268 E CB 1.143 30.819 29.700 -0.040 0.000 1.108 3268 E HN 0.539 nan 8.360 nan 0.000 0.401 3269 K N 2.781 123.184 120.400 0.004 0.000 2.471 3269 K HA 0.616 4.936 4.320 -0.000 0.000 0.252 3269 K C -1.121 175.489 176.600 0.017 0.000 0.938 3269 K CA -1.165 55.131 56.287 0.015 0.000 0.796 3269 K CB 1.632 34.142 32.500 0.016 0.000 1.161 3269 K HN 0.180 nan 8.250 nan 0.000 0.425 3270 K N 1.874 122.289 120.400 0.025 0.000 2.578 3270 K HA 0.187 4.507 4.320 -0.000 0.000 0.250 3270 K C -1.019 175.599 176.600 0.030 0.000 0.955 3270 K CA -0.375 55.928 56.287 0.028 0.000 0.825 3270 K CB 2.072 34.593 32.500 0.035 0.000 1.151 3270 K HN 0.701 nan 8.250 nan 0.000 0.432 3271 S N 2.627 118.344 115.700 0.027 0.000 2.563 3271 S HA 0.563 5.033 4.470 -0.000 0.000 0.284 3271 S C 0.110 174.725 174.600 0.025 0.000 1.331 3271 S CA 1.271 59.486 58.200 0.025 0.000 1.047 3271 S CB -0.146 63.070 63.200 0.026 0.000 0.859 3271 S HN 1.087 nan 8.310 nan 0.000 0.514 3272 G N 1.502 110.315 108.800 0.021 0.000 2.375 3272 G HA2 0.518 4.478 3.960 -0.000 0.000 0.663 3272 G HA3 0.518 4.478 3.960 -0.000 0.000 0.663 3272 G C -0.114 174.796 174.900 0.018 0.000 1.391 3272 G CA -0.011 45.101 45.100 0.020 0.000 0.949 3272 G HN 2.128 nan 8.290 nan 0.000 0.646 3273 A N -0.625 122.204 122.820 0.014 0.000 5.949 3273 A HA 0.376 4.696 4.320 -0.000 0.000 0.275 3273 A C 1.158 178.747 177.584 0.008 0.000 2.055 3273 A CA 1.933 53.976 52.037 0.010 0.000 0.713 3273 A CB -1.612 17.396 19.000 0.013 0.000 1.146 3273 A HN 2.691 nan 8.150 nan 0.000 0.370 3274 S N -2.945 112.759 115.700 0.005 0.000 2.806 3274 S HA 0.639 5.109 4.470 -0.000 0.000 0.315 3274 S C 1.073 175.674 174.600 0.003 0.000 1.127 3274 S CA 0.218 58.419 58.200 0.002 0.000 0.918 3274 S CB 1.252 64.451 63.200 -0.001 0.000 1.240 3274 S HN 1.905 nan 8.310 nan 0.000 0.552 3275 I N 1.868 122.437 120.570 -0.002 0.000 2.493 3275 I HA -0.027 4.143 4.170 -0.000 0.000 0.254 3275 I C 1.283 177.400 176.117 0.000 0.000 1.160 3275 I CA 1.684 62.983 61.300 -0.002 0.000 1.445 3275 I CB -0.422 37.572 38.000 -0.009 0.000 1.086 3275 I HN 0.581 nan 8.210 nan 0.000 0.433 3276 D N 0.696 121.095 120.400 -0.001 0.000 2.178 3276 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 3276 D C 1.559 177.861 176.300 0.003 0.000 0.980 3276 D CA 1.344 55.344 54.000 -0.000 0.000 0.842 3276 D CB -0.298 40.501 40.800 -0.002 0.000 0.948 3276 D HN 0.444 nan 8.370 nan 0.000 0.472 3277 D N -0.352 120.052 120.400 0.005 0.000 2.348 3277 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 3277 D C 0.362 176.672 176.300 0.016 0.000 0.970 3277 D CA 0.499 54.504 54.000 0.009 0.000 0.889 3277 D CB -0.044 40.762 40.800 0.010 0.000 0.912 3277 D HN 0.019 nan 8.370 nan 0.000 0.524 3278 T N 1.323 115.887 114.554 0.016 0.000 2.908 3278 T HA 0.147 4.497 4.350 -0.000 0.000 0.325 3278 T C 0.318 175.033 174.700 0.024 0.000 1.092 3278 T CA 0.286 62.400 62.100 0.022 0.000 1.125 3278 T CB 0.423 69.300 68.868 0.016 0.000 1.016 3278 T HN 0.318 nan 8.240 nan 0.000 0.550 3279 E N 0.754 120.973 120.200 0.033 0.000 2.429 3279 E HA 0.554 4.904 4.350 -0.000 0.000 0.280 3279 E C -1.814 174.810 176.600 0.040 0.000 1.068 3279 E CA -1.081 55.339 56.400 0.034 0.000 0.837 3279 E CB 0.969 30.691 29.700 0.037 0.000 1.357 3279 E HN 0.349 nan 8.360 nan 0.000 0.455 3280 L N 1.226 122.471 121.223 0.036 0.000 2.317 3280 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 3280 L C -1.532 175.366 176.870 0.047 0.000 1.024 3280 L CA -0.550 54.312 54.840 0.037 0.000 0.810 3280 L CB 1.343 43.418 42.059 0.026 0.000 1.240 3280 L HN 0.626 nan 8.230 nan 0.000 0.427 3281 I N 4.316 124.919 120.570 0.054 0.000 2.411 3281 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 3281 I C -0.225 175.919 176.117 0.046 0.000 1.012 3281 I CA -0.476 60.865 61.300 0.069 0.000 1.119 3281 I CB 1.359 39.430 38.000 0.118 0.000 1.261 3281 I HN 0.419 nan 8.210 nan 0.000 0.448 3282 K N 4.798 125.220 120.400 0.036 0.000 2.199 3282 K HA 0.545 4.865 4.320 -0.000 0.000 0.226 3282 K C 0.427 177.041 176.600 0.023 0.000 1.237 3282 K CA 0.066 56.367 56.287 0.024 0.000 1.170 3282 K CB -0.337 32.171 32.500 0.013 0.000 1.418 3282 K HN 0.874 nan 8.250 nan 0.000 0.255 3283 G N -1.403 107.411 108.800 0.023 0.000 2.441 3283 G HA2 0.263 4.223 3.960 -0.000 0.000 0.225 3283 G HA3 0.263 4.223 3.960 -0.000 0.000 0.225 3283 G C -1.617 173.283 174.900 -0.001 0.000 1.200 3283 G CA -0.630 44.480 45.100 0.017 0.000 0.947 3283 G HN 0.064 nan 8.290 nan 0.000 0.484 3284 V N 0.381 120.286 119.914 -0.016 0.000 3.007 3284 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 3284 V C -0.875 175.144 176.094 -0.125 0.000 1.120 3284 V CA -0.679 61.583 62.300 -0.063 0.000 0.980 3284 V CB 2.012 33.788 31.823 -0.079 0.000 1.033 3284 V HN 0.829 nan 8.190 nan 0.000 0.429 3285 L N 4.054 125.161 121.223 -0.194 0.000 2.345 3285 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 3285 L C -1.203 175.507 176.870 -0.266 0.000 0.999 3285 L CA -0.368 54.239 54.840 -0.390 0.000 0.849 3285 L CB 1.459 43.227 42.059 -0.485 0.000 1.220 3285 L HN 0.487 nan 8.230 nan 0.000 0.422 3286 V N 3.325 123.099 119.914 -0.234 0.000 2.472 3286 V HA 0.254 4.374 4.120 -0.000 0.000 0.290 3286 V C -0.218 175.811 176.094 -0.108 0.000 1.037 3286 V CA -0.656 61.571 62.300 -0.121 0.000 0.908 3286 V CB 1.702 33.501 31.823 -0.040 0.000 0.985 3286 V HN 0.778 nan 8.190 nan 0.000 0.454 3287 D N 3.412 123.773 120.400 -0.066 0.000 2.896 3287 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 3287 D C -0.142 176.155 176.300 -0.005 0.000 1.193 3287 D CA -0.257 53.719 54.000 -0.039 0.000 0.983 3287 D CB 0.202 40.983 40.800 -0.032 0.000 1.074 3287 D HN 0.500 nan 8.370 nan 0.000 0.496 3288 K N -0.087 120.318 120.400 0.010 0.000 2.439 3288 K HA 0.511 4.831 4.320 -0.000 0.000 0.260 3288 K C -0.633 175.988 176.600 0.034 0.000 1.032 3288 K CA -0.919 55.386 56.287 0.031 0.000 0.882 3288 K CB 2.544 35.080 32.500 0.059 0.000 1.420 3288 K HN 0.088 nan 8.250 nan 0.000 0.455 3289 E N 0.705 120.923 120.200 0.029 0.000 2.320 3289 E HA 0.288 4.638 4.350 -0.000 0.000 0.264 3289 E C -1.072 175.533 176.600 0.007 0.000 0.923 3289 E CA -0.840 55.574 56.400 0.024 0.000 0.796 3289 E CB 1.567 31.279 29.700 0.020 0.000 1.262 3289 E HN 0.288 nan 8.360 nan 0.000 0.428 3290 R N 1.825 122.326 120.500 0.002 0.000 2.404 3290 R HA 0.046 4.386 4.340 -0.000 0.000 0.315 3290 R C 1.089 177.378 176.300 -0.018 0.000 1.032 3290 R CA -0.224 55.862 56.100 -0.022 0.000 0.992 3290 R CB 0.471 30.761 30.300 -0.016 0.000 0.959 3290 R HN 0.376 nan 8.270 nan 0.000 0.428 3291 V N 1.773 121.668 119.914 -0.032 0.000 2.380 3291 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 3291 V C 1.211 177.299 176.094 -0.010 0.000 1.063 3291 V CA 1.793 64.080 62.300 -0.023 0.000 1.055 3291 V CB -0.239 31.562 31.823 -0.036 0.000 0.657 3291 V HN 0.709 nan 8.190 nan 0.000 0.455 3292 S N -1.412 114.284 115.700 -0.007 0.000 2.501 3292 S HA 0.658 5.128 4.470 -0.000 0.000 0.301 3292 S C 0.872 175.479 174.600 0.011 0.000 1.096 3292 S CA -0.186 58.022 58.200 0.012 0.000 1.063 3292 S CB 1.894 65.112 63.200 0.029 0.000 1.042 3292 S HN 0.311 nan 8.310 nan 0.000 0.494 3293 A N 3.440 126.269 122.820 0.015 0.000 1.930 3293 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 3293 A C 1.919 179.509 177.584 0.009 0.000 1.175 3293 A CA 1.022 53.065 52.037 0.010 0.000 0.627 3293 A CB -0.475 18.530 19.000 0.008 0.000 0.815 3293 A HN 0.806 nan 8.150 nan 0.000 0.443 3294 Q N -0.490 119.317 119.800 0.013 0.000 2.472 3294 Q HA 0.121 4.461 4.340 -0.000 0.000 0.208 3294 Q C 0.492 176.500 176.000 0.014 0.000 0.958 3294 Q CA 0.208 56.017 55.803 0.011 0.000 0.932 3294 Q CB -0.338 28.406 28.738 0.010 0.000 1.007 3294 Q HN 0.692 nan 8.270 nan 0.000 0.508 3295 M N 1.795 121.403 119.600 0.013 0.000 2.248 3295 M HA 0.093 4.573 4.480 -0.000 0.000 0.337 3295 M C -1.948 174.355 176.300 0.006 0.000 1.121 3295 M CA -1.430 53.874 55.300 0.008 0.000 1.155 3295 M CB -0.103 32.495 32.600 -0.003 0.000 1.514 3295 M HN -0.194 nan 8.290 nan 0.000 0.452 3296 P HA 0.003 nan 4.420 nan 0.000 0.267 3296 P C -0.329 176.975 177.300 0.007 0.000 1.200 3296 P CA 0.194 63.298 63.100 0.007 0.000 0.772 3296 P CB 0.469 32.173 31.700 0.007 0.000 0.855 3297 K N 1.268 121.673 120.400 0.008 0.000 2.393 3297 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 3297 K C 0.088 176.696 176.600 0.014 0.000 1.026 3297 K CA 0.431 56.724 56.287 0.011 0.000 1.064 3297 K CB 0.184 32.689 32.500 0.009 0.000 0.833 3297 K HN 0.142 nan 8.250 nan 0.000 0.521 3298 K N 0.249 120.656 120.400 0.012 0.000 2.571 3298 K HA 0.228 4.548 4.320 -0.000 0.000 0.252 3298 K C -2.224 174.384 176.600 0.013 0.000 0.956 3298 K CA -0.656 55.639 56.287 0.013 0.000 0.822 3298 K CB 2.036 34.541 32.500 0.008 0.000 1.286 3298 K HN -0.116 nan 8.250 nan 0.000 0.439 3299 V N 3.896 123.821 119.914 0.018 0.000 2.638 3299 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 3299 V C -1.256 174.850 176.094 0.020 0.000 1.052 3299 V CA -0.029 62.282 62.300 0.018 0.000 0.885 3299 V CB 1.983 33.819 31.823 0.021 0.000 0.999 3299 V HN 0.953 nan 8.190 nan 0.000 0.424 3300 T N 1.541 116.105 114.554 0.016 0.000 2.855 3300 T HA 0.515 4.865 4.350 -0.000 0.000 0.281 3300 T C 0.030 174.739 174.700 0.016 0.000 1.007 3300 T CA 0.175 62.284 62.100 0.015 0.000 1.009 3300 T CB 1.258 70.132 68.868 0.010 0.000 0.983 3300 T HN 1.075 nan 8.240 nan 0.000 0.455 3301 D N 0.671 121.081 120.400 0.016 0.000 2.689 3301 D HA -0.156 4.484 4.640 -0.000 0.000 0.237 3301 D C 0.396 176.709 176.300 0.022 0.000 1.148 3301 D CA 0.875 54.885 54.000 0.017 0.000 0.656 3301 D CB -1.216 39.591 40.800 0.013 0.000 1.050 3301 D HN 1.121 nan 8.370 nan 0.000 0.426 3302 A N 1.316 124.153 122.820 0.028 0.000 2.498 3302 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 3302 A C 0.536 178.143 177.584 0.038 0.000 1.068 3302 A CA 0.231 52.289 52.037 0.035 0.000 0.766 3302 A CB 0.578 19.605 19.000 0.046 0.000 1.003 3302 A HN 0.161 nan 8.150 nan 0.000 0.497 3303 K N 2.486 122.909 120.400 0.038 0.000 2.389 3303 K HA 0.417 4.737 4.320 -0.000 0.000 0.261 3303 K C -1.253 175.379 176.600 0.054 0.000 1.014 3303 K CA -0.212 56.100 56.287 0.040 0.000 0.920 3303 K CB 1.061 33.580 32.500 0.031 0.000 1.149 3303 K HN 0.537 nan 8.250 nan 0.000 0.444 3304 I N 1.932 122.545 120.570 0.072 0.000 2.365 3304 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 3304 I C 0.353 176.531 176.117 0.102 0.000 1.004 3304 I CA -0.375 60.992 61.300 0.111 0.000 1.311 3304 I CB 1.584 39.677 38.000 0.156 0.000 1.401 3304 I HN 0.486 nan 8.210 nan 0.000 0.491 3305 A N 6.444 129.335 122.820 0.117 0.000 2.318 3305 A HA 0.806 5.126 4.320 -0.000 0.000 0.324 3305 A C -1.129 176.544 177.584 0.147 0.000 1.170 3305 A CA -0.516 51.581 52.037 0.099 0.000 0.810 3305 A CB 0.973 20.012 19.000 0.066 0.000 1.198 3305 A HN 0.600 nan 8.150 nan 0.000 0.484 3306 L N 3.650 124.939 121.223 0.109 0.000 2.324 3306 L HA 0.580 4.920 4.340 -0.000 0.000 0.274 3306 L C -1.212 175.702 176.870 0.073 0.000 1.012 3306 L CA -0.012 54.894 54.840 0.110 0.000 0.859 3306 L CB 0.515 42.609 42.059 0.057 0.000 1.224 3306 L HN 0.646 nan 8.230 nan 0.000 0.429 3307 L N 4.214 125.487 121.223 0.082 0.000 2.334 3307 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 3307 L C 0.805 177.706 176.870 0.052 0.000 1.014 3307 L CA -0.464 54.409 54.840 0.054 0.000 0.815 3307 L CB 1.834 43.921 42.059 0.046 0.000 1.268 3307 L HN 0.600 nan 8.230 nan 0.000 0.428 3308 N N 0.528 119.250 118.700 0.035 0.000 2.397 3308 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 3308 N C 0.251 175.775 175.510 0.023 0.000 1.099 3308 N CA -0.158 52.909 53.050 0.029 0.000 0.876 3308 N CB 0.592 39.091 38.487 0.021 0.000 1.143 3308 N HN 0.580 nan 8.380 nan 0.000 0.468 3309 C N 2.495 121.808 119.300 0.021 0.000 2.644 3309 C HA 0.654 5.114 4.460 -0.000 0.000 0.417 3309 C C 1.004 176.003 174.990 0.016 0.000 1.304 3309 C CA -0.713 58.315 59.018 0.016 0.000 2.035 3309 C CB -0.817 26.932 27.740 0.016 0.000 2.673 3309 C HN 0.430 nan 8.230 nan 0.000 0.602 3310 A N 6.621 129.447 122.820 0.011 0.000 2.462 3310 A HA 0.454 4.774 4.320 -0.000 0.000 0.243 3310 A C 0.254 177.842 177.584 0.006 0.000 1.076 3310 A CA -0.128 51.913 52.037 0.007 0.000 0.773 3310 A CB 0.059 19.060 19.000 0.002 0.000 1.010 3310 A HN 0.799 nan 8.150 nan 0.000 0.493 3311 I N 3.272 123.844 120.570 0.003 0.000 2.234 3311 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 3311 I C 0.619 176.735 176.117 -0.001 0.000 1.131 3311 I CA 0.432 61.735 61.300 0.005 0.000 1.335 3311 I CB -1.473 36.530 38.000 0.006 0.000 1.511 3311 I HN 0.887 nan 8.210 nan 0.000 0.588 3312 E N 3.745 123.946 120.200 0.002 0.000 2.431 3312 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 3312 E C -0.668 175.937 176.600 0.008 0.000 0.953 3312 E CA -1.012 55.387 56.400 -0.001 0.000 0.810 3312 E CB 1.973 31.669 29.700 -0.006 0.000 1.369 3312 E HN -0.038 nan 8.360 nan 0.000 0.440 3313 I N 2.406 122.981 120.570 0.009 0.000 2.483 3313 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 3313 I C 0.385 176.510 176.117 0.013 0.000 1.112 3313 I CA -0.155 61.155 61.300 0.016 0.000 1.350 3313 I CB -0.509 37.502 38.000 0.018 0.000 1.419 3313 I HN 0.411 nan 8.210 nan 0.000 0.523 3314 K N 5.937 126.346 120.400 0.015 0.000 2.414 3314 K HA 0.162 4.482 4.320 -0.000 0.000 0.272 3314 K C 0.264 176.873 176.600 0.014 0.000 0.993 3314 K CA -0.113 56.182 56.287 0.013 0.000 0.964 3314 K CB 1.083 33.592 32.500 0.014 0.000 0.925 3314 K HN 0.425 nan 8.250 nan 0.000 0.487 3315 E N 0.942 121.148 120.200 0.009 0.000 2.288 3315 E HA 0.168 4.518 4.350 -0.000 0.000 0.268 3315 E C -0.425 176.180 176.600 0.008 0.000 0.885 3315 E CA -0.612 55.792 56.400 0.008 0.000 0.767 3315 E CB 1.771 31.472 29.700 0.002 0.000 1.220 3315 E HN 0.622 nan 8.360 nan 0.000 0.427 3316 T N -0.285 114.274 114.554 0.008 0.000 2.903 3316 T HA 0.077 4.427 4.350 -0.000 0.000 0.314 3316 T C 1.071 175.774 174.700 0.004 0.000 1.078 3316 T CA -0.433 61.672 62.100 0.008 0.000 1.114 3316 T CB 0.959 69.833 68.868 0.009 0.000 0.987 3316 T HN 0.231 nan 8.240 nan 0.000 0.548 3317 E N 0.760 120.962 120.200 0.004 0.000 2.077 3317 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 3317 E C 1.291 177.892 176.600 0.002 0.000 0.989 3317 E CA 0.977 57.379 56.400 0.003 0.000 0.800 3317 E CB -0.548 29.154 29.700 0.003 0.000 0.746 3317 E HN 0.805 nan 8.360 nan 0.000 0.452 3318 T N 1.595 116.150 114.554 0.002 0.000 2.919 3318 T HA -0.027 4.323 4.350 -0.000 0.000 0.302 3318 T C -0.188 174.512 174.700 -0.000 0.000 1.031 3318 T CA -0.564 61.538 62.100 0.002 0.000 1.127 3318 T CB 0.585 69.455 68.868 0.003 0.000 0.952 3318 T HN -0.153 nan 8.240 nan 0.000 0.540 3319 D N 2.515 122.913 120.400 -0.002 0.000 2.458 3319 D HA 0.426 5.066 4.640 -0.000 0.000 0.243 3319 D C -0.415 175.881 176.300 -0.006 0.000 1.146 3319 D CA 0.169 54.166 54.000 -0.005 0.000 0.877 3319 D CB 0.519 41.315 40.800 -0.006 0.000 1.176 3319 D HN 0.759 nan 8.370 nan 0.000 0.461 3320 A N 3.433 126.248 122.820 -0.010 0.000 2.556 3320 A HA 0.721 5.041 4.320 -0.000 0.000 0.294 3320 A C -0.894 176.675 177.584 -0.026 0.000 1.091 3320 A CA -0.693 51.337 52.037 -0.012 0.000 0.704 3320 A CB 1.699 20.696 19.000 -0.005 0.000 1.300 3320 A HN 0.588 nan 8.150 nan 0.000 0.406 3321 E N 0.615 120.794 120.200 -0.035 0.000 2.381 3321 E HA 0.454 4.804 4.350 -0.000 0.000 0.286 3321 E C -1.818 174.732 176.600 -0.083 0.000 0.960 3321 E CA -0.672 55.691 56.400 -0.062 0.000 0.793 3321 E CB 1.277 30.946 29.700 -0.052 0.000 1.225 3321 E HN 0.496 nan 8.360 nan 0.000 0.420 3322 I N 3.299 123.773 120.570 -0.159 0.000 2.496 3322 I HA 0.182 4.352 4.170 -0.000 0.000 0.285 3322 I C 0.173 176.191 176.117 -0.165 0.000 1.080 3322 I CA -0.028 61.126 61.300 -0.243 0.000 1.404 3322 I CB 0.551 38.165 38.000 -0.644 0.000 1.403 3322 I HN 0.293 nan 8.210 nan 0.000 0.539 3323 R N 7.357 127.810 120.500 -0.079 0.000 2.423 3323 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 3323 R C -0.625 175.683 176.300 0.012 0.000 1.196 3323 R CA -0.570 55.511 56.100 -0.030 0.000 1.262 3323 R CB 0.204 30.502 30.300 -0.003 0.000 1.116 3323 R HN 0.554 nan 8.270 nan 0.000 0.566 3324 I N 1.897 122.463 120.570 -0.007 0.000 2.588 3324 I HA -0.001 4.169 4.170 -0.000 0.000 0.283 3324 I C 1.438 177.584 176.117 0.048 0.000 1.119 3324 I CA 0.562 61.897 61.300 0.058 0.000 1.419 3324 I CB 1.055 39.079 38.000 0.040 0.000 1.394 3324 I HN 0.524 nan 8.210 nan 0.000 0.562 3325 T N -0.754 113.840 114.554 0.066 0.000 3.087 3325 T HA 0.273 4.622 4.350 -0.000 0.000 0.283 3325 T C 0.069 174.794 174.700 0.042 0.000 0.956 3325 T CA -0.329 61.797 62.100 0.044 0.000 0.894 3325 T CB 0.302 69.194 68.868 0.039 0.000 1.160 3325 T HN 0.450 nan 8.240 nan 0.000 0.532 3326 D N 1.374 121.806 120.400 0.054 0.000 2.857 3326 D HA 0.322 4.962 4.640 -0.000 0.000 0.227 3326 D C -2.326 174.005 176.300 0.051 0.000 1.192 3326 D CA -1.510 52.516 54.000 0.043 0.000 0.857 3326 D CB 2.768 43.589 40.800 0.035 0.000 1.645 3326 D HN -0.235 nan 8.370 nan 0.000 0.482 3327 P HA -0.121 nan 4.420 nan 0.000 0.218 3327 P C 1.157 178.481 177.300 0.040 0.000 1.148 3327 P CA 1.068 64.190 63.100 0.037 0.000 0.822 3327 P CB 0.290 32.006 31.700 0.025 0.000 0.784 3328 A N -0.014 122.824 122.820 0.030 0.000 1.978 3328 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 3328 A C 2.069 179.667 177.584 0.023 0.000 1.170 3328 A CA 1.655 53.702 52.037 0.018 0.000 0.636 3328 A CB -0.950 18.052 19.000 0.003 0.000 0.810 3328 A HN 0.195 nan 8.150 nan 0.000 0.448 3329 K N -0.454 119.982 120.400 0.060 0.000 2.155 3329 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 3329 K C 1.688 178.430 176.600 0.237 0.000 1.052 3329 K CA 0.891 57.253 56.287 0.125 0.000 0.948 3329 K CB -0.311 32.342 32.500 0.254 0.000 0.728 3329 K HN 0.476 nan 8.250 nan 0.000 0.448 3330 L N 0.411 121.730 121.223 0.160 0.000 2.127 3330 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 3330 L C 2.385 179.330 176.870 0.125 0.000 1.089 3330 L CA 0.952 55.875 54.840 0.139 0.000 0.757 3330 L CB -0.311 41.794 42.059 0.077 0.000 0.899 3330 L HN 0.257 nan 8.230 nan 0.000 0.434 3331 M N -1.403 118.247 119.600 0.083 0.000 2.357 3331 M HA -0.075 4.405 4.480 -0.000 0.000 0.266 3331 M C 2.191 178.509 176.300 0.031 0.000 1.095 3331 M CA 1.050 56.381 55.300 0.052 0.000 1.156 3331 M CB -0.953 31.662 32.600 0.026 0.000 1.365 3331 M HN 0.190 nan 8.290 nan 0.000 0.447 3332 E N 0.663 120.855 120.200 -0.013 0.000 2.070 3332 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 3332 E C 1.937 178.436 176.600 -0.169 0.000 1.004 3332 E CA 1.708 58.022 56.400 -0.142 0.000 0.805 3332 E CB -0.195 29.336 29.700 -0.281 0.000 0.744 3332 E HN 0.455 nan 8.360 nan 0.000 0.451 3333 F N 0.399 120.353 119.950 0.007 0.000 2.206 3333 F HA -0.017 4.510 4.527 0.000 0.000 0.298 3333 F C 2.515 178.321 175.800 0.010 0.000 1.090 3333 F CA 0.573 58.577 58.000 0.007 0.000 1.323 3333 F CB -0.195 38.809 39.000 0.006 0.000 1.028 3333 F HN -0.016 nan 8.300 nan 0.000 0.492 3334 I N -0.029 120.655 120.570 0.190 0.000 2.163 3334 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 3334 I C 2.288 178.451 176.117 0.076 0.000 1.085 3334 I CA 1.303 62.671 61.300 0.113 0.000 1.347 3334 I CB -0.390 37.660 38.000 0.084 0.000 1.044 3334 I HN 0.109 nan 8.210 nan 0.000 0.408 3335 E N 0.198 120.428 120.200 0.050 0.000 2.150 3335 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 3335 E C 2.022 178.634 176.600 0.021 0.000 0.985 3335 E CA 0.948 57.364 56.400 0.026 0.000 0.814 3335 E CB -0.189 29.513 29.700 0.003 0.000 0.752 3335 E HN 0.447 nan 8.360 nan 0.000 0.466 3336 Q N 1.348 121.160 119.800 0.020 0.000 2.079 3336 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 3336 Q C 1.673 177.703 176.000 0.050 0.000 0.974 3336 Q CA 1.577 57.391 55.803 0.019 0.000 0.840 3336 Q CB 0.018 28.759 28.738 0.004 0.000 0.898 3336 Q HN 0.287 nan 8.270 nan 0.000 0.430 3337 E N -0.409 119.837 120.200 0.076 0.000 2.152 3337 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 3337 E C 1.843 178.480 176.600 0.061 0.000 0.983 3337 E CA 0.808 57.252 56.400 0.072 0.000 0.818 3337 E CB 0.095 29.842 29.700 0.079 0.000 0.758 3337 E HN 0.347 nan 8.360 nan 0.000 0.467 3338 E N 1.050 121.286 120.200 0.060 0.000 2.072 3338 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 3338 E C 1.909 178.540 176.600 0.052 0.000 0.985 3338 E CA 0.847 57.286 56.400 0.065 0.000 0.801 3338 E CB -0.113 29.622 29.700 0.058 0.000 0.750 3338 E HN 0.164 nan 8.360 nan 0.000 0.452 3339 K N 0.654 121.074 120.400 0.034 0.000 2.026 3339 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 3339 K C 2.282 178.898 176.600 0.026 0.000 1.048 3339 K CA 1.362 57.661 56.287 0.020 0.000 0.929 3339 K CB -0.162 32.344 32.500 0.009 0.000 0.713 3339 K HN 0.040 nan 8.250 nan 0.000 0.439 3340 M N 0.939 120.559 119.600 0.033 0.000 2.108 3340 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 3340 M C 2.085 178.410 176.300 0.042 0.000 1.066 3340 M CA 1.473 56.794 55.300 0.035 0.000 1.107 3340 M CB -0.068 32.555 32.600 0.038 0.000 1.356 3340 M HN 0.357 nan 8.290 nan 0.000 0.406 3341 L N 0.094 121.351 121.223 0.056 0.000 2.027 3341 L HA -0.223 4.117 4.340 -0.000 0.000 0.206 3341 L C 2.248 179.176 176.870 0.096 0.000 1.074 3341 L CA 1.545 56.431 54.840 0.077 0.000 0.745 3341 L CB -0.303 41.814 42.059 0.096 0.000 0.898 3341 L HN 0.280 nan 8.230 nan 0.000 0.433 3342 K N -0.349 120.099 120.400 0.080 0.000 2.097 3342 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 3342 K C 1.656 178.269 176.600 0.022 0.000 1.049 3342 K CA 1.576 57.885 56.287 0.038 0.000 0.933 3342 K CB -0.162 32.329 32.500 -0.015 0.000 0.717 3342 K HN 0.356 nan 8.250 nan 0.000 0.442 3343 D N 0.529 120.942 120.400 0.022 0.000 2.144 3343 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 3343 D C 1.937 178.250 176.300 0.022 0.000 0.984 3343 D CA 0.996 55.005 54.000 0.015 0.000 0.834 3343 D CB 0.003 40.812 40.800 0.014 0.000 0.955 3343 D HN 0.069 nan 8.370 nan 0.000 0.465 3344 M N 0.375 119.994 119.600 0.032 0.000 2.084 3344 M HA -0.139 4.341 4.480 -0.000 0.000 0.259 3344 M C 2.455 178.777 176.300 0.038 0.000 1.072 3344 M CA 0.946 56.266 55.300 0.034 0.000 1.107 3344 M CB -1.093 31.530 32.600 0.039 0.000 1.299 3344 M HN -0.071 nan 8.290 nan 0.000 0.413 3345 V N 0.597 120.544 119.914 0.055 0.000 2.287 3345 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 3345 V C 2.734 178.851 176.094 0.038 0.000 1.053 3345 V CA 1.945 64.284 62.300 0.064 0.000 1.027 3345 V CB -1.461 30.436 31.823 0.124 0.000 0.646 3345 V HN 0.543 nan 8.190 nan 0.000 0.447 3346 A N -0.153 122.680 122.820 0.022 0.000 1.940 3346 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 3346 A C 2.192 179.781 177.584 0.009 0.000 1.176 3346 A CA 2.187 54.227 52.037 0.005 0.000 0.631 3346 A CB -0.528 18.468 19.000 -0.007 0.000 0.814 3346 A HN 0.570 nan 8.150 nan 0.000 0.446 3347 E N 0.268 120.476 120.200 0.014 0.000 2.077 3347 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 3347 E C 1.696 178.305 176.600 0.017 0.000 0.989 3347 E CA 1.380 57.789 56.400 0.014 0.000 0.800 3347 E CB -0.394 29.316 29.700 0.016 0.000 0.746 3347 E HN 0.657 nan 8.360 nan 0.000 0.452 3348 I N 0.615 121.198 120.570 0.021 0.000 2.142 3348 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 3348 I C 2.618 178.747 176.117 0.020 0.000 1.078 3348 I CA 1.288 62.601 61.300 0.022 0.000 1.343 3348 I CB -0.444 37.571 38.000 0.025 0.000 1.046 3348 I HN 0.102 nan 8.210 nan 0.000 0.405 3349 K N 1.678 122.089 120.400 0.018 0.000 2.063 3349 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 3349 K C 2.126 178.733 176.600 0.011 0.000 1.048 3349 K CA 1.804 58.100 56.287 0.015 0.000 0.928 3349 K CB -0.238 32.269 32.500 0.011 0.000 0.713 3349 K HN 0.317 nan 8.250 nan 0.000 0.442 3350 A N 0.507 123.333 122.820 0.010 0.000 2.024 3350 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 3350 A C 2.239 179.829 177.584 0.010 0.000 1.164 3350 A CA 2.163 54.205 52.037 0.008 0.000 0.643 3350 A CB -0.652 18.352 19.000 0.007 0.000 0.806 3350 A HN 0.440 nan 8.150 nan 0.000 0.451 3351 S N -1.966 113.742 115.700 0.014 0.000 2.453 3351 S HA 0.216 4.686 4.470 -0.000 0.000 0.231 3351 S C 1.483 176.093 174.600 0.016 0.000 1.005 3351 S CA 1.626 59.835 58.200 0.016 0.000 0.949 3351 S CB -0.321 62.890 63.200 0.019 0.000 0.774 3351 S HN 1.818 nan 8.310 nan 0.000 0.510 3352 G N -0.011 108.798 108.800 0.015 0.000 2.176 3352 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.232 3352 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.232 3352 G C 0.151 175.063 174.900 0.019 0.000 0.986 3352 G CA 0.112 45.221 45.100 0.016 0.000 0.643 3352 G HN 1.018 nan 8.290 nan 0.000 0.522 3353 A N 0.048 122.881 122.820 0.022 0.000 2.477 3353 A HA 0.600 4.920 4.320 -0.000 0.000 0.246 3353 A C 1.080 178.676 177.584 0.020 0.000 1.078 3353 A CA 0.776 52.828 52.037 0.026 0.000 0.770 3353 A CB 0.183 19.201 19.000 0.030 0.000 1.011 3353 A HN 0.378 nan 8.150 nan 0.000 0.494 3354 N N 0.484 119.197 118.700 0.021 0.000 2.159 3354 N HA 0.167 4.907 4.740 -0.000 0.000 0.217 3354 N C -0.882 174.630 175.510 0.002 0.000 1.223 3354 N CA 0.369 53.427 53.050 0.013 0.000 0.896 3354 N CB 1.238 39.735 38.487 0.016 0.000 1.064 3354 N HN 0.360 nan 8.380 nan 0.000 0.518 3355 V N 1.888 121.806 119.914 0.008 0.000 2.709 3355 V HA 0.510 4.630 4.120 -0.000 0.000 0.308 3355 V C -1.078 175.005 176.094 -0.019 0.000 1.062 3355 V CA -0.908 61.377 62.300 -0.024 0.000 0.901 3355 V CB 2.697 34.542 31.823 0.036 0.000 1.003 3355 V HN -0.032 nan 8.190 nan 0.000 0.425 3356 L N 4.560 125.705 121.223 -0.130 0.000 2.470 3356 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 3356 L C -1.729 174.998 176.870 -0.238 0.000 0.964 3356 L CA -0.045 54.750 54.840 -0.075 0.000 0.839 3356 L CB 1.768 43.802 42.059 -0.040 0.000 1.276 3356 L HN 0.476 nan 8.230 nan 0.000 0.403 3357 F N 4.864 124.818 119.950 0.006 0.000 2.388 3357 F HA 0.525 5.052 4.527 -0.000 0.000 0.358 3357 F C 0.206 176.007 175.800 0.001 0.000 1.122 3357 F CA -0.240 57.761 58.000 0.002 0.000 1.056 3357 F CB 1.436 40.436 39.000 0.001 0.000 1.155 3357 F HN 0.575 nan 8.300 nan 0.000 0.461 3358 C N 4.695 124.066 119.300 0.118 0.000 2.376 3358 C HA 0.287 4.747 4.460 -0.000 0.000 0.335 3358 C C 1.502 176.539 174.990 0.079 0.000 1.229 3358 C CA -0.377 58.687 59.018 0.075 0.000 1.867 3358 C CB 1.183 28.938 27.740 0.024 0.000 2.319 3358 C HN 0.946 nan 8.230 nan 0.000 0.515 3359 Q N 2.834 122.670 119.800 0.059 0.000 2.062 3359 Q HA 0.007 4.347 4.340 -0.000 0.000 0.196 3359 Q C 1.107 177.125 176.000 0.030 0.000 0.967 3359 Q CA 1.481 57.312 55.803 0.046 0.000 0.832 3359 Q CB 0.132 28.889 28.738 0.033 0.000 0.899 3359 Q HN 0.696 nan 8.270 nan 0.000 0.442 3360 K N -0.293 120.119 120.400 0.021 0.000 2.894 3360 K HA 0.301 4.621 4.320 -0.000 0.000 0.325 3360 K C 0.584 177.186 176.600 0.004 0.000 0.984 3360 K CA 0.213 56.506 56.287 0.010 0.000 1.266 3360 K CB -0.895 31.609 32.500 0.006 0.000 1.423 3360 K HN 0.170 nan 8.250 nan 0.000 0.614 3361 G N 0.231 109.027 108.800 -0.005 0.000 2.504 3361 G HA2 0.552 4.512 3.960 -0.000 0.000 0.288 3361 G HA3 0.552 4.512 3.960 -0.000 0.000 0.288 3361 G C -0.557 174.328 174.900 -0.025 0.000 1.182 3361 G CA -0.582 44.508 45.100 -0.016 0.000 0.894 3361 G HN 0.300 nan 8.290 nan 0.000 0.521 3362 I N 1.132 121.678 120.570 -0.040 0.000 2.439 3362 I HA 0.148 4.318 4.170 -0.000 0.000 0.283 3362 I C -0.343 175.722 176.117 -0.085 0.000 1.023 3362 I CA -0.738 60.527 61.300 -0.059 0.000 1.100 3362 I CB 1.803 39.766 38.000 -0.062 0.000 1.238 3362 I HN 0.450 nan 8.210 nan 0.000 0.445 3363 D N 5.011 125.353 120.400 -0.097 0.000 2.449 3363 D HA -0.082 4.558 4.640 -0.000 0.000 0.236 3363 D C 0.638 176.810 176.300 -0.213 0.000 1.149 3363 D CA 0.279 54.201 54.000 -0.130 0.000 0.878 3363 D CB 1.277 42.005 40.800 -0.120 0.000 1.198 3363 D HN 0.476 nan 8.370 nan 0.000 0.446 3364 D N 2.478 122.728 120.400 -0.250 0.000 2.133 3364 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 3364 D C 1.757 177.560 176.300 -0.828 0.000 0.997 3364 D CA 0.687 54.433 54.000 -0.424 0.000 0.840 3364 D CB -0.103 40.505 40.800 -0.319 0.000 0.947 3364 D HN 0.339 nan 8.370 nan 0.000 0.452 3365 L N 0.808 121.649 121.223 -0.637 0.000 2.042 3365 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 3365 L C 2.134 178.533 176.870 -0.784 0.000 1.076 3365 L CA 1.752 56.165 54.840 -0.713 0.000 0.749 3365 L CB -0.753 41.041 42.059 -0.443 0.000 0.893 3365 L HN -0.010 nan 8.230 nan 0.000 0.432 3366 A N -1.254 121.280 122.820 -0.477 0.000 1.902 3366 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 3366 A C 2.161 179.628 177.584 -0.195 0.000 1.181 3366 A CA 1.796 53.666 52.037 -0.278 0.000 0.623 3366 A CB -0.554 18.362 19.000 -0.140 0.000 0.818 3366 A HN 0.656 nan 8.150 nan 0.000 0.443 3367 Q N -0.999 118.661 119.800 -0.233 0.000 2.096 3367 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 3367 Q C 1.913 177.911 176.000 -0.003 0.000 0.982 3367 Q CA 1.837 57.569 55.803 -0.119 0.000 0.850 3367 Q CB -0.412 28.250 28.738 -0.126 0.000 0.901 3367 Q HN 0.897 nan 8.270 nan 0.000 0.422 3368 H N -1.106 117.886 119.070 -0.130 0.000 2.321 3368 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 3368 H C 1.722 177.102 175.328 0.087 0.000 1.087 3368 H CA 1.103 57.109 56.048 -0.069 0.000 1.319 3368 H CB 0.067 29.741 29.762 -0.146 0.000 1.379 3368 H HN 0.252 nan 8.280 nan 0.000 0.501 3369 Y N 0.774 121.142 120.300 0.114 0.000 2.200 3369 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 3369 Y C 2.549 178.468 175.900 0.032 0.000 1.137 3369 Y CA 0.489 58.623 58.100 0.056 0.000 1.163 3369 Y CB -0.883 37.598 38.460 0.034 0.000 0.988 3369 Y HN 0.140 nan 8.280 nan 0.000 0.518 3370 L N -0.524 120.803 121.223 0.174 0.000 2.042 3370 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 3370 L C 2.663 179.572 176.870 0.066 0.000 1.076 3370 L CA 1.387 56.278 54.840 0.084 0.000 0.749 3370 L CB -0.872 41.205 42.059 0.030 0.000 0.893 3370 L HN 0.194 nan 8.230 nan 0.000 0.432 3371 A N -0.044 122.822 122.820 0.078 0.000 1.898 3371 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 3371 A C 2.310 179.932 177.584 0.062 0.000 1.181 3371 A CA 1.625 53.699 52.037 0.061 0.000 0.620 3371 A CB -0.348 18.694 19.000 0.070 0.000 0.819 3371 A HN 0.312 nan 8.150 nan 0.000 0.442 3372 K N -0.290 120.166 120.400 0.093 0.000 2.209 3372 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 3372 K C 1.208 177.836 176.600 0.047 0.000 1.048 3372 K CA 1.175 57.505 56.287 0.072 0.000 0.940 3372 K CB -0.009 32.551 32.500 0.100 0.000 0.729 3372 K HN 0.400 nan 8.250 nan 0.000 0.451 3373 E N -0.305 119.927 120.200 0.053 0.000 2.489 3373 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 3373 E C 0.847 177.462 176.600 0.024 0.000 1.057 3373 E CA 0.420 56.840 56.400 0.032 0.000 0.866 3373 E CB 0.480 30.202 29.700 0.036 0.000 0.916 3373 E HN 0.456 nan 8.360 nan 0.000 0.500 3374 G N 2.125 110.939 108.800 0.025 0.000 2.225 3374 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 3374 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 3374 G C 0.306 175.212 174.900 0.011 0.000 1.024 3374 G CA 0.302 45.411 45.100 0.016 0.000 0.784 3374 G HN 0.286 nan 8.290 nan 0.000 0.507 3375 I N 0.240 120.817 120.570 0.012 0.000 2.395 3375 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 3375 I C 0.779 176.884 176.117 -0.020 0.000 1.023 3375 I CA -0.872 60.427 61.300 -0.001 0.000 1.350 3375 I CB 1.558 39.561 38.000 0.004 0.000 1.409 3375 I HN -0.125 nan 8.210 nan 0.000 0.507 3376 V N 5.987 125.875 119.914 -0.043 0.000 2.465 3376 V HA 0.668 4.788 4.120 -0.000 0.000 0.279 3376 V C 0.347 176.350 176.094 -0.151 0.000 1.045 3376 V CA -0.279 61.973 62.300 -0.080 0.000 0.938 3376 V CB 1.270 33.047 31.823 -0.077 0.000 0.986 3376 V HN 0.872 nan 8.190 nan 0.000 0.467 3377 A N 4.008 126.727 122.820 -0.168 0.000 2.435 3377 A HA 0.986 5.306 4.320 -0.000 0.000 0.304 3377 A C -0.545 176.883 177.584 -0.260 0.000 1.064 3377 A CA -0.358 51.546 52.037 -0.222 0.000 0.727 3377 A CB 1.950 20.875 19.000 -0.124 0.000 1.284 3377 A HN 1.354 nan 8.150 nan 0.000 0.415 3378 A N 1.481 124.099 122.820 -0.336 0.000 2.393 3378 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 3378 A C -0.121 177.414 177.584 -0.082 0.000 1.050 3378 A CA -0.647 51.259 52.037 -0.218 0.000 0.724 3378 A CB 1.008 19.824 19.000 -0.307 0.000 1.248 3378 A HN 1.258 nan 8.150 nan 0.000 0.424 3379 R N 1.479 121.960 120.500 -0.031 0.000 2.875 3379 R HA 0.735 5.075 4.340 -0.000 0.000 0.251 3379 R C -0.472 175.841 176.300 0.022 0.000 1.123 3379 R CA -0.808 55.289 56.100 -0.004 0.000 1.064 3379 R CB 0.491 30.778 30.300 -0.022 0.000 1.205 3379 R HN 0.489 nan 8.270 nan 0.000 0.503 3380 R N -0.552 119.959 120.500 0.019 0.000 3.405 3380 R HA -0.109 4.231 4.340 -0.000 0.000 0.258 3380 R C -0.670 175.650 176.300 0.035 0.000 1.030 3380 R CA 0.564 56.676 56.100 0.020 0.000 0.691 3380 R CB -2.545 27.761 30.300 0.010 0.000 1.093 3380 R HN 0.509 nan 8.270 nan 0.000 0.448 3381 V N 1.045 120.992 119.914 0.055 0.000 2.686 3381 V HA 0.085 4.205 4.120 -0.000 0.000 0.295 3381 V C 1.469 177.584 176.094 0.035 0.000 1.055 3381 V CA -0.309 62.030 62.300 0.066 0.000 1.050 3381 V CB 1.397 33.287 31.823 0.112 0.000 0.984 3381 V HN 0.175 nan 8.190 nan 0.000 0.482 3382 K N 3.367 123.780 120.400 0.022 0.000 2.414 3382 K HA 0.023 4.343 4.320 -0.000 0.000 0.272 3382 K C 1.346 177.948 176.600 0.004 0.000 0.993 3382 K CA -0.242 56.050 56.287 0.009 0.000 0.964 3382 K CB 0.365 32.866 32.500 0.001 0.000 0.925 3382 K HN 0.619 nan 8.250 nan 0.000 0.487 3383 K N 1.851 122.252 120.400 0.003 0.000 2.057 3383 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 3383 K C 1.530 178.125 176.600 -0.008 0.000 1.049 3383 K CA 1.809 58.096 56.287 -0.000 0.000 0.931 3383 K CB -0.130 32.370 32.500 0.001 0.000 0.714 3383 K HN 0.600 nan 8.250 nan 0.000 0.440 3384 S N 1.516 117.210 115.700 -0.010 0.000 2.399 3384 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 3384 S C 1.340 175.924 174.600 -0.026 0.000 1.022 3384 S CA 1.344 59.535 58.200 -0.016 0.000 0.983 3384 S CB -0.185 63.007 63.200 -0.014 0.000 0.803 3384 S HN 0.343 nan 8.310 nan 0.000 0.480 3385 D N 1.120 121.504 120.400 -0.027 0.000 2.144 3385 D HA 0.013 4.653 4.640 -0.000 0.000 0.200 3385 D C 1.865 178.125 176.300 -0.066 0.000 0.978 3385 D CA 0.726 54.698 54.000 -0.046 0.000 0.833 3385 D CB -0.188 40.591 40.800 -0.035 0.000 0.961 3385 D HN 0.242 nan 8.370 nan 0.000 0.470 3386 M N 0.542 120.117 119.600 -0.042 0.000 2.149 3386 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 3386 M C 1.878 178.147 176.300 -0.052 0.000 1.064 3386 M CA 1.298 56.572 55.300 -0.042 0.000 1.102 3386 M CB -0.813 31.783 32.600 -0.008 0.000 1.369 3386 M HN 0.121 nan 8.290 nan 0.000 0.408 3387 E N -0.200 119.976 120.200 -0.040 0.000 2.107 3387 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 3387 E C 2.069 178.640 176.600 -0.048 0.000 0.982 3387 E CA 0.786 57.164 56.400 -0.036 0.000 0.809 3387 E CB 0.016 29.701 29.700 -0.025 0.000 0.756 3387 E HN 0.492 nan 8.360 nan 0.000 0.459 3388 K N 0.575 120.940 120.400 -0.058 0.000 2.097 3388 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 3388 K C 2.146 178.690 176.600 -0.094 0.000 1.050 3388 K CA 0.706 56.954 56.287 -0.066 0.000 0.938 3388 K CB -0.010 32.452 32.500 -0.065 0.000 0.718 3388 K HN 0.112 nan 8.250 nan 0.000 0.442 3389 L N 0.324 121.467 121.223 -0.134 0.000 2.093 3389 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 3389 L C 2.525 179.309 176.870 -0.142 0.000 1.085 3389 L CA 0.923 55.641 54.840 -0.203 0.000 0.755 3389 L CB -0.478 41.382 42.059 -0.332 0.000 0.904 3389 L HN 0.194 nan 8.230 nan 0.000 0.435 3390 A N 0.223 122.987 122.820 -0.093 0.000 1.873 3390 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 3390 A C 2.319 179.878 177.584 -0.042 0.000 1.186 3390 A CA 1.565 53.569 52.037 -0.054 0.000 0.616 3390 A CB -0.304 18.675 19.000 -0.035 0.000 0.823 3390 A HN 0.280 nan 8.150 nan 0.000 0.442 3391 K N -0.252 120.123 120.400 -0.042 0.000 2.009 3391 K HA -0.097 4.223 4.320 -0.000 0.000 0.210 3391 K C 2.388 178.969 176.600 -0.030 0.000 1.049 3391 K CA 1.283 57.552 56.287 -0.030 0.000 0.929 3391 K CB -0.371 32.111 32.500 -0.029 0.000 0.714 3391 K HN 0.436 nan 8.250 nan 0.000 0.440 3392 A N 0.888 123.680 122.820 -0.047 0.000 1.832 3392 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 3392 A C 2.291 179.854 177.584 -0.036 0.000 1.200 3392 A CA 2.132 54.142 52.037 -0.044 0.000 0.610 3392 A CB -1.091 17.869 19.000 -0.067 0.000 0.842 3392 A HN 0.268 nan 8.150 nan 0.000 0.444 3393 T N -0.871 113.650 114.554 -0.055 0.000 2.951 3393 T HA 0.283 4.633 4.350 -0.000 0.000 0.268 3393 T C 1.321 176.014 174.700 -0.012 0.000 1.073 3393 T CA 1.465 63.543 62.100 -0.037 0.000 1.134 3393 T CB -0.355 68.478 68.868 -0.059 0.000 0.884 3393 T HN 1.637 nan 8.240 nan 0.000 0.479 3394 G N 1.419 110.210 108.800 -0.015 0.000 2.182 3394 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.248 3394 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.248 3394 G C 0.044 174.946 174.900 0.003 0.000 1.042 3394 G CA -0.133 44.967 45.100 -0.001 0.000 0.775 3394 G HN 0.876 nan 8.290 nan 0.000 0.501 3395 A N -0.424 122.394 122.820 -0.004 0.000 2.303 3395 A HA 0.758 5.078 4.320 -0.000 0.000 0.317 3395 A C 0.184 177.771 177.584 0.004 0.000 1.149 3395 A CA -0.234 51.807 52.037 0.008 0.000 0.822 3395 A CB 0.905 19.914 19.000 0.015 0.000 1.131 3395 A HN 0.719 nan 8.150 nan 0.000 0.493 3396 N N 1.511 120.218 118.700 0.012 0.000 2.425 3396 N HA 0.357 5.097 4.740 -0.000 0.000 0.268 3396 N C -0.806 174.713 175.510 0.014 0.000 0.991 3396 N CA -0.278 52.778 53.050 0.010 0.000 0.931 3396 N CB 1.168 39.662 38.487 0.011 0.000 1.130 3396 N HN 0.289 nan 8.380 nan 0.000 0.493 3397 V N 4.879 124.799 119.914 0.010 0.000 2.485 3397 V HA 0.134 4.253 4.120 -0.000 0.000 0.287 3397 V C 0.455 176.558 176.094 0.015 0.000 1.022 3397 V CA 0.004 62.312 62.300 0.014 0.000 1.067 3397 V CB -0.124 31.704 31.823 0.008 0.000 0.967 3397 V HN 0.529 nan 8.190 nan 0.000 0.479 3398 I N 4.788 125.369 120.570 0.019 0.000 2.530 3398 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 3398 I C 1.278 177.406 176.117 0.017 0.000 1.011 3398 I CA -0.231 61.080 61.300 0.017 0.000 1.107 3398 I CB 2.024 40.035 38.000 0.019 0.000 1.285 3398 I HN 0.773 nan 8.210 nan 0.000 0.436 3399 T N 1.936 116.499 114.554 0.014 0.000 2.755 3399 T HA 0.036 4.386 4.350 -0.000 0.000 0.251 3399 T C 0.830 175.538 174.700 0.014 0.000 1.044 3399 T CA 0.415 62.523 62.100 0.013 0.000 1.154 3399 T CB -0.098 68.776 68.868 0.011 0.000 0.866 3399 T HN 0.441 nan 8.240 nan 0.000 0.416 3400 N N 0.841 119.549 118.700 0.013 0.000 2.438 3400 N HA 0.259 4.999 4.740 -0.000 0.000 0.282 3400 N C 0.664 176.183 175.510 0.015 0.000 1.037 3400 N CA -0.719 52.339 53.050 0.014 0.000 0.942 3400 N CB 1.370 39.864 38.487 0.012 0.000 1.136 3400 N HN 0.174 nan 8.380 nan 0.000 0.481 3401 I N 3.675 124.255 120.570 0.016 0.000 2.335 3401 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 3401 I C 1.817 177.944 176.117 0.015 0.000 1.129 3401 I CA 1.458 62.769 61.300 0.017 0.000 1.402 3401 I CB 0.051 38.062 38.000 0.018 0.000 1.069 3401 I HN 0.489 nan 8.210 nan 0.000 0.424 3402 K N 0.348 120.756 120.400 0.013 0.000 2.152 3402 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 3402 K C 1.628 178.235 176.600 0.011 0.000 1.048 3402 K CA 1.525 57.819 56.287 0.012 0.000 0.933 3402 K CB -0.572 31.934 32.500 0.011 0.000 0.721 3402 K HN 0.426 nan 8.250 nan 0.000 0.447 3403 D N 0.374 120.781 120.400 0.012 0.000 2.289 3403 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 3403 D C 0.594 176.902 176.300 0.013 0.000 0.966 3403 D CA -0.059 53.948 54.000 0.011 0.000 0.868 3403 D CB -0.163 40.644 40.800 0.011 0.000 0.943 3403 D HN -0.021 nan 8.370 nan 0.000 0.514 3404 L N 1.337 122.569 121.223 0.015 0.000 2.559 3404 L HA 0.031 4.371 4.340 -0.000 0.000 0.282 3404 L C 0.376 177.255 176.870 0.015 0.000 1.232 3404 L CA 0.399 55.249 54.840 0.017 0.000 0.885 3404 L CB 0.274 42.345 42.059 0.019 0.000 1.131 3404 L HN -0.002 nan 8.230 nan 0.000 0.498 3405 S N 2.821 118.530 115.700 0.015 0.000 2.651 3405 S HA 0.760 5.230 4.470 -0.000 0.000 0.279 3405 S C 0.608 175.217 174.600 0.016 0.000 1.148 3405 S CA -0.389 57.819 58.200 0.014 0.000 0.837 3405 S CB 1.132 64.339 63.200 0.012 0.000 1.138 3405 S HN 0.839 nan 8.310 nan 0.000 0.478 3406 A N 0.599 123.428 122.820 0.015 0.000 1.978 3406 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 3406 A C 1.985 179.579 177.584 0.017 0.000 1.170 3406 A CA 1.415 53.462 52.037 0.016 0.000 0.636 3406 A CB -0.907 18.102 19.000 0.014 0.000 0.810 3406 A HN 0.730 nan 8.150 nan 0.000 0.448 3407 Q N 0.155 119.964 119.800 0.015 0.000 2.364 3407 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 3407 Q C 0.614 176.624 176.000 0.016 0.000 0.970 3407 Q CA 1.189 57.001 55.803 0.015 0.000 0.888 3407 Q CB -0.269 28.477 28.738 0.012 0.000 0.951 3407 Q HN 0.684 nan 8.270 nan 0.000 0.469 3408 D N -0.261 120.149 120.400 0.017 0.000 2.354 3408 D HA 0.065 4.705 4.640 -0.000 0.000 0.209 3408 D C 0.591 176.905 176.300 0.023 0.000 1.015 3408 D CA 0.037 54.048 54.000 0.018 0.000 0.867 3408 D CB 0.574 41.385 40.800 0.019 0.000 0.933 3408 D HN 0.200 nan 8.370 nan 0.000 0.520 3409 L N 0.907 122.144 121.223 0.025 0.000 2.461 3409 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 3409 L C 1.216 178.103 176.870 0.028 0.000 1.197 3409 L CA -0.170 54.688 54.840 0.030 0.000 0.836 3409 L CB 0.835 42.912 42.059 0.029 0.000 1.105 3409 L HN -0.092 nan 8.230 nan 0.000 0.477 3410 G N 1.000 109.820 108.800 0.034 0.000 2.509 3410 G HA2 0.484 4.444 3.960 -0.000 0.000 0.328 3410 G HA3 0.484 4.444 3.960 -0.000 0.000 0.328 3410 G C -1.359 173.561 174.900 0.033 0.000 1.194 3410 G CA -0.482 44.636 45.100 0.029 0.000 0.967 3410 G HN 0.536 nan 8.290 nan 0.000 0.488 3411 D N -0.187 120.229 120.400 0.027 0.000 2.498 3411 D HA 0.597 5.237 4.640 -0.000 0.000 0.247 3411 D C -0.459 175.856 176.300 0.026 0.000 1.070 3411 D CA -0.026 53.990 54.000 0.027 0.000 0.842 3411 D CB 2.152 42.964 40.800 0.020 0.000 1.361 3411 D HN 0.573 nan 8.370 nan 0.000 0.484 3412 A N 0.531 123.370 122.820 0.032 0.000 2.398 3412 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 3412 A C 0.949 178.550 177.584 0.029 0.000 1.041 3412 A CA -0.540 51.518 52.037 0.034 0.000 0.711 3412 A CB 1.647 20.679 19.000 0.054 0.000 1.240 3412 A HN 0.521 nan 8.150 nan 0.000 0.420 3413 G N 0.470 109.282 108.800 0.019 0.000 2.443 3413 G HA2 0.313 4.273 3.960 -0.000 0.000 0.219 3413 G HA3 0.313 4.273 3.960 -0.000 0.000 0.219 3413 G C 0.223 175.137 174.900 0.023 0.000 1.131 3413 G CA 1.530 46.638 45.100 0.013 0.000 0.775 3413 G HN 1.109 nan 8.290 nan 0.000 0.547 3414 L N -0.315 120.931 121.223 0.039 0.000 2.549 3414 L HA 0.596 4.936 4.340 -0.000 0.000 0.259 3414 L C -1.531 175.385 176.870 0.077 0.000 0.934 3414 L CA -0.734 54.135 54.840 0.048 0.000 0.865 3414 L CB 2.450 44.532 42.059 0.038 0.000 1.352 3414 L HN -0.160 nan 8.230 nan 0.000 0.410 3415 V N 4.132 124.092 119.914 0.078 0.000 2.443 3415 V HA 0.695 4.815 4.120 -0.000 0.000 0.293 3415 V C -0.614 175.536 176.094 0.094 0.000 1.021 3415 V CA -0.421 61.942 62.300 0.104 0.000 0.848 3415 V CB 1.536 33.419 31.823 0.101 0.000 0.998 3415 V HN 0.820 nan 8.190 nan 0.000 0.424 3416 E N 3.114 123.392 120.200 0.130 0.000 2.343 3416 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 3416 E C -1.139 175.558 176.600 0.161 0.000 0.910 3416 E CA -0.685 55.777 56.400 0.103 0.000 0.757 3416 E CB 2.356 32.085 29.700 0.048 0.000 1.218 3416 E HN 0.743 nan 8.360 nan 0.000 0.435 3417 E N 3.940 124.205 120.200 0.109 0.000 2.194 3417 E HA 0.241 4.591 4.350 -0.000 0.000 0.284 3417 E C -0.883 175.777 176.600 0.099 0.000 1.035 3417 E CA -0.233 56.241 56.400 0.124 0.000 0.836 3417 E CB 0.716 30.460 29.700 0.075 0.000 1.070 3417 E HN 0.329 nan 8.360 nan 0.000 0.401 3418 R N 3.446 124.050 120.500 0.172 0.000 2.740 3418 R HA 0.356 4.696 4.340 -0.000 0.000 0.282 3418 R C -1.018 175.365 176.300 0.137 0.000 0.969 3418 R CA -1.109 55.038 56.100 0.077 0.000 0.918 3418 R CB 1.537 31.740 30.300 -0.162 0.000 1.175 3418 R HN 0.256 nan 8.270 nan 0.000 0.464 3419 K N 2.143 122.583 120.400 0.067 0.000 2.227 3419 K HA 0.389 4.709 4.320 -0.000 0.000 0.280 3419 K C -0.526 176.121 176.600 0.077 0.000 1.041 3419 K CA -0.119 56.211 56.287 0.071 0.000 0.905 3419 K CB 0.834 33.357 32.500 0.039 0.000 1.068 3419 K HN 0.311 nan 8.250 nan 0.000 0.470 3420 I N 2.284 122.915 120.570 0.103 0.000 2.439 3420 I HA 0.144 4.314 4.170 -0.000 0.000 0.283 3420 I C 0.194 176.350 176.117 0.065 0.000 1.023 3420 I CA -0.361 60.998 61.300 0.098 0.000 1.100 3420 I CB 1.180 39.275 38.000 0.158 0.000 1.238 3420 I HN 0.723 nan 8.210 nan 0.000 0.445 3421 S N 4.576 120.304 115.700 0.046 0.000 3.682 3421 S HA -0.218 4.252 4.470 -0.000 0.000 0.354 3421 S C 1.406 176.025 174.600 0.031 0.000 1.034 3421 S CA 1.621 59.842 58.200 0.034 0.000 1.084 3421 S CB -1.038 62.181 63.200 0.033 0.000 0.903 3421 S HN 1.580 nan 8.310 nan 0.000 0.470 3422 G N 0.133 108.952 108.800 0.031 0.000 2.550 3422 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 3422 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 3422 G C -0.204 174.716 174.900 0.034 0.000 1.170 3422 G CA 0.367 45.484 45.100 0.028 0.000 0.693 3422 G HN 0.723 nan 8.290 nan 0.000 0.512 3423 D N 1.853 122.276 120.400 0.038 0.000 2.443 3423 D HA 0.459 5.099 4.640 -0.000 0.000 0.239 3423 D C 1.022 177.356 176.300 0.056 0.000 1.136 3423 D CA 0.873 54.897 54.000 0.040 0.000 0.879 3423 D CB 1.262 42.082 40.800 0.034 0.000 1.195 3423 D HN 0.709 nan 8.370 nan 0.000 0.443 3424 S N 1.946 117.676 115.700 0.051 0.000 2.523 3424 S HA 0.616 5.086 4.470 -0.000 0.000 0.275 3424 S C 0.023 174.664 174.600 0.069 0.000 1.281 3424 S CA -0.716 57.524 58.200 0.067 0.000 1.050 3424 S CB 0.767 63.998 63.200 0.051 0.000 0.937 3424 S HN 0.384 nan 8.310 nan 0.000 0.492 3425 M N 2.708 122.374 119.600 0.110 0.000 2.575 3425 M HA 0.502 4.982 4.480 -0.000 0.000 0.284 3425 M C -1.301 175.070 176.300 0.119 0.000 1.253 3425 M CA -0.869 54.470 55.300 0.065 0.000 0.861 3425 M CB 1.968 34.570 32.600 0.003 0.000 1.733 3425 M HN 0.432 nan 8.290 nan 0.000 0.462 3426 I N 1.676 122.255 120.570 0.014 0.000 2.412 3426 I HA 0.459 4.629 4.170 -0.000 0.000 0.296 3426 I C -1.105 174.975 176.117 -0.061 0.000 0.987 3426 I CA -0.364 60.989 61.300 0.087 0.000 1.180 3426 I CB 0.987 39.046 38.000 0.098 0.000 1.340 3426 I HN 0.530 nan 8.210 nan 0.000 0.455 3427 F N 4.770 124.747 119.950 0.046 0.000 2.426 3427 F HA 0.418 4.945 4.527 0.000 0.000 0.348 3427 F C 0.214 176.039 175.800 0.042 0.000 1.124 3427 F CA -0.767 57.255 58.000 0.036 0.000 1.008 3427 F CB 1.793 40.807 39.000 0.024 0.000 1.139 3427 F HN -0.006 nan 8.300 nan 0.000 0.452 3428 V N 3.992 123.994 119.914 0.147 0.000 2.257 3428 V HA 0.340 4.460 4.120 -0.000 0.000 0.269 3428 V C -0.484 175.668 176.094 0.098 0.000 1.040 3428 V CA -0.577 61.787 62.300 0.107 0.000 0.813 3428 V CB 0.425 32.280 31.823 0.054 0.000 1.065 3428 V HN 0.795 nan 8.190 nan 0.000 0.457 3429 E N 3.023 123.290 120.200 0.111 0.000 2.369 3429 E HA 0.716 5.066 4.350 -0.000 0.000 0.270 3429 E C -0.651 175.978 176.600 0.049 0.000 0.909 3429 E CA -0.839 55.615 56.400 0.089 0.000 0.775 3429 E CB 1.971 31.745 29.700 0.122 0.000 1.270 3429 E HN 0.198 nan 8.360 nan 0.000 0.445 3430 E N -0.765 119.451 120.200 0.027 0.000 3.169 3430 E HA -0.130 4.220 4.350 -0.000 0.000 0.305 3430 E C -0.669 175.922 176.600 -0.014 0.000 0.912 3430 E CA 0.469 56.870 56.400 0.001 0.000 1.029 3430 E CB -2.465 27.237 29.700 0.003 0.000 1.514 3430 E HN 0.632 nan 8.360 nan 0.000 0.412 3431 C N 1.261 120.555 119.300 -0.009 0.000 2.679 3431 C HA 0.048 4.508 4.460 -0.000 0.000 0.417 3431 C C 2.292 177.239 174.990 -0.071 0.000 1.302 3431 C CA 0.099 59.104 59.018 -0.021 0.000 1.973 3431 C CB 0.280 28.018 27.740 -0.005 0.000 2.715 3431 C HN 0.355 nan 8.230 nan 0.000 0.628 3432 K N 1.153 121.497 120.400 -0.093 0.000 1.969 3432 K HA -0.113 4.207 4.320 -0.000 0.000 0.223 3432 K C 0.445 176.790 176.600 -0.425 0.000 1.048 3432 K CA 1.411 57.557 56.287 -0.235 0.000 0.983 3432 K CB -0.122 32.297 32.500 -0.134 0.000 0.738 3432 K HN 0.696 nan 8.250 nan 0.000 0.446 3433 H N 0.807 119.882 119.070 0.008 0.000 2.423 3433 H HA 0.252 4.808 4.556 -0.000 0.000 0.237 3433 H C -2.368 172.962 175.328 0.004 0.000 1.391 3433 H CA -1.966 54.085 56.048 0.006 0.000 1.453 3433 H CB 0.427 30.192 29.762 0.005 0.000 1.484 3433 H HN 0.256 nan 8.280 nan 0.000 0.505 3434 P HA 0.055 nan 4.420 nan 0.000 0.268 3434 P C 0.691 178.018 177.300 0.046 0.000 1.205 3434 P CA -0.428 62.697 63.100 0.042 0.000 0.771 3434 P CB 1.744 33.456 31.700 0.020 0.000 0.858 3435 K N 0.458 120.875 120.400 0.029 0.000 2.358 3435 K HA 0.381 4.701 4.320 -0.000 0.000 0.197 3435 K C 0.443 177.047 176.600 0.007 0.000 1.025 3435 K CA -0.018 56.281 56.287 0.019 0.000 1.104 3435 K CB 0.615 33.123 32.500 0.014 0.000 0.855 3435 K HN 0.558 nan 8.250 nan 0.000 0.531 3436 A N 1.092 123.913 122.820 0.003 0.000 2.408 3436 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 3436 A C -0.462 177.119 177.584 -0.004 0.000 1.040 3436 A CA -0.733 51.301 52.037 -0.006 0.000 0.707 3436 A CB 1.290 20.279 19.000 -0.019 0.000 1.235 3436 A HN -0.052 nan 8.150 nan 0.000 0.418 3437 V N -0.460 119.453 119.914 -0.002 0.000 2.960 3437 V HA 0.972 5.092 4.120 -0.000 0.000 0.315 3437 V C -0.295 175.797 176.094 -0.004 0.000 1.087 3437 V CA -0.578 61.724 62.300 0.002 0.000 0.982 3437 V CB 1.665 33.495 31.823 0.011 0.000 1.039 3437 V HN 0.804 nan 8.190 nan 0.000 0.437 3438 T N 3.739 118.292 114.554 -0.000 0.000 2.863 3438 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 3438 T C -0.530 174.177 174.700 0.012 0.000 1.009 3438 T CA -0.289 61.808 62.100 -0.006 0.000 0.989 3438 T CB 1.552 70.401 68.868 -0.031 0.000 1.004 3438 T HN 0.920 nan 8.240 nan 0.000 0.455 3439 M N 4.212 123.818 119.600 0.010 0.000 2.060 3439 M HA 0.438 4.918 4.480 -0.000 0.000 0.342 3439 M C -1.114 175.200 176.300 0.023 0.000 1.031 3439 M CA -1.040 54.272 55.300 0.021 0.000 0.981 3439 M CB 0.238 32.848 32.600 0.016 0.000 1.376 3439 M HN 0.474 nan 8.290 nan 0.000 0.397 3440 L N 6.694 127.943 121.223 0.043 0.000 2.433 3440 L HA 0.399 4.739 4.340 -0.000 0.000 0.275 3440 L C -1.124 175.775 176.870 0.047 0.000 1.128 3440 L CA 0.617 55.490 54.840 0.055 0.000 0.875 3440 L CB 0.188 42.317 42.059 0.117 0.000 1.171 3440 L HN 0.601 nan 8.230 nan 0.000 0.463 3441 I N 6.094 126.685 120.570 0.035 0.000 2.359 3441 I HA 0.489 4.659 4.170 -0.000 0.000 0.294 3441 I C -0.038 176.097 176.117 0.031 0.000 0.987 3441 I CA -0.761 60.555 61.300 0.027 0.000 1.225 3441 I CB 0.899 38.910 38.000 0.019 0.000 1.366 3441 I HN 0.532 nan 8.210 nan 0.000 0.466 3442 R N 4.123 124.639 120.500 0.027 0.000 2.832 3442 R HA 0.890 5.230 4.340 -0.000 0.000 0.271 3442 R C -0.361 175.948 176.300 0.014 0.000 0.996 3442 R CA -1.081 55.034 56.100 0.024 0.000 0.977 3442 R CB 1.970 32.286 30.300 0.026 0.000 1.168 3442 R HN 0.877 nan 8.270 nan 0.000 0.482 3443 G N -0.935 107.873 108.800 0.013 0.000 2.519 3443 G HA2 0.155 4.115 3.960 -0.000 0.000 0.292 3443 G HA3 0.155 4.115 3.960 -0.000 0.000 0.292 3443 G C 0.213 175.118 174.900 0.009 0.000 1.507 3443 G CA -0.232 44.871 45.100 0.006 0.000 0.806 3443 G HN 0.444 nan 8.290 nan 0.000 0.523 3444 T N -2.234 112.323 114.554 0.004 0.000 3.155 3444 T HA 0.299 4.649 4.350 -0.000 0.000 0.264 3444 T C 0.836 175.544 174.700 0.013 0.000 1.160 3444 T CA 1.462 63.566 62.100 0.006 0.000 1.075 3444 T CB -0.091 68.778 68.868 0.001 0.000 0.921 3444 T HN 0.689 nan 8.240 nan 0.000 0.533 3445 T N 0.227 114.792 114.554 0.017 0.000 2.885 3445 T HA 0.340 4.690 4.350 -0.000 0.000 0.322 3445 T C 0.296 175.022 174.700 0.043 0.000 1.387 3445 T CA -0.657 61.463 62.100 0.032 0.000 1.041 3445 T CB 2.391 71.282 68.868 0.040 0.000 1.287 3445 T HN 0.004 nan 8.240 nan 0.000 0.491 3446 E N 0.907 121.141 120.200 0.056 0.000 2.038 3446 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 3446 E C 1.659 178.325 176.600 0.110 0.000 1.000 3446 E CA 2.031 58.469 56.400 0.064 0.000 0.803 3446 E CB -0.205 29.524 29.700 0.050 0.000 0.750 3446 E HN 0.756 nan 8.360 nan 0.000 0.448 3447 H N -0.957 118.114 119.070 0.001 0.000 2.422 3447 H HA -0.087 4.469 4.556 0.000 0.000 0.298 3447 H C 1.825 177.153 175.328 0.000 0.000 1.098 3447 H CA 1.147 57.195 56.048 0.001 0.000 1.315 3447 H CB 0.338 30.100 29.762 -0.000 0.000 1.382 3447 H HN 0.115 nan 8.280 nan 0.000 0.523 3448 V N 1.784 121.697 119.914 -0.001 0.000 2.283 3448 V HA -0.255 3.865 4.120 -0.000 0.000 0.243 3448 V C 2.624 178.698 176.094 -0.034 0.000 1.039 3448 V CA 1.805 64.057 62.300 -0.079 0.000 1.016 3448 V CB -0.424 31.371 31.823 -0.047 0.000 0.650 3448 V HN 0.553 nan 8.190 nan 0.000 0.449 3449 I N -1.156 119.417 120.570 0.005 0.000 2.493 3449 I HA -0.171 3.999 4.170 -0.000 0.000 0.254 3449 I C 2.283 178.413 176.117 0.021 0.000 1.160 3449 I CA 1.948 63.256 61.300 0.012 0.000 1.445 3449 I CB -0.554 37.458 38.000 0.021 0.000 1.086 3449 I HN 0.389 nan 8.210 nan 0.000 0.433 3450 E N 1.504 121.730 120.200 0.043 0.000 2.072 3450 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 3450 E C 2.034 178.661 176.600 0.045 0.000 0.985 3450 E CA 1.079 57.515 56.400 0.061 0.000 0.801 3450 E CB 0.098 29.869 29.700 0.117 0.000 0.750 3450 E HN 0.489 nan 8.360 nan 0.000 0.452 3451 E N 0.213 120.425 120.200 0.019 0.000 2.152 3451 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 3451 E C 2.256 178.848 176.600 -0.014 0.000 0.983 3451 E CA 0.651 57.043 56.400 -0.013 0.000 0.818 3451 E CB 0.011 29.655 29.700 -0.094 0.000 0.758 3451 E HN 0.204 nan 8.360 nan 0.000 0.467 3452 V N 1.642 121.546 119.914 -0.016 0.000 2.407 3452 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 3452 V C 2.446 178.541 176.094 0.002 0.000 1.055 3452 V CA 1.704 63.999 62.300 -0.009 0.000 1.049 3452 V CB -0.798 31.020 31.823 -0.008 0.000 0.662 3452 V HN 0.226 nan 8.190 nan 0.000 0.455 3453 A N 0.106 122.931 122.820 0.008 0.000 1.877 3453 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 3453 A C 2.417 180.009 177.584 0.012 0.000 1.186 3453 A CA 2.046 54.090 52.037 0.011 0.000 0.620 3453 A CB -0.578 18.431 19.000 0.015 0.000 0.822 3453 A HN 0.479 nan 8.150 nan 0.000 0.443 3454 R N -0.358 120.151 120.500 0.015 0.000 2.091 3454 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 3454 R C 2.278 178.586 176.300 0.014 0.000 1.136 3454 R CA 1.478 57.587 56.100 0.016 0.000 0.959 3454 R CB -0.418 29.895 30.300 0.022 0.000 0.856 3454 R HN 0.442 nan 8.270 nan 0.000 0.437 3455 A N 0.165 122.991 122.820 0.010 0.000 1.908 3455 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 3455 A C 2.227 179.818 177.584 0.012 0.000 1.181 3455 A CA 1.669 53.712 52.037 0.011 0.000 0.627 3455 A CB -0.446 18.556 19.000 0.004 0.000 0.818 3455 A HN 0.243 nan 8.150 nan 0.000 0.445 3456 V N 0.416 120.336 119.914 0.010 0.000 2.453 3456 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 3456 V C 2.041 178.142 176.094 0.010 0.000 1.048 3456 V CA 2.015 64.322 62.300 0.010 0.000 1.049 3456 V CB -0.792 31.037 31.823 0.009 0.000 0.672 3456 V HN 0.465 nan 8.190 nan 0.000 0.457 3457 D N 0.322 120.728 120.400 0.010 0.000 2.149 3457 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 3457 D C 1.852 178.158 176.300 0.011 0.000 0.990 3457 D CA 1.426 55.432 54.000 0.010 0.000 0.839 3457 D CB -0.219 40.587 40.800 0.010 0.000 0.948 3457 D HN 0.427 nan 8.370 nan 0.000 0.460 3458 D N 0.062 120.469 120.400 0.013 0.000 2.120 3458 D HA -0.007 4.633 4.640 -0.000 0.000 0.202 3458 D C 2.070 178.378 176.300 0.013 0.000 0.972 3458 D CA 1.165 55.173 54.000 0.014 0.000 0.837 3458 D CB -0.363 40.448 40.800 0.018 0.000 0.989 3458 D HN 0.114 nan 8.370 nan 0.000 0.469 3459 A N 0.765 123.594 122.820 0.014 0.000 1.908 3459 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 3459 A C 2.508 180.099 177.584 0.012 0.000 1.181 3459 A CA 1.341 53.386 52.037 0.014 0.000 0.627 3459 A CB -0.848 18.161 19.000 0.014 0.000 0.818 3459 A HN 0.142 nan 8.150 nan 0.000 0.445 3460 V N -0.076 119.845 119.914 0.010 0.000 2.343 3460 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 3460 V C 2.794 178.893 176.094 0.008 0.000 1.051 3460 V CA 1.969 64.274 62.300 0.009 0.000 1.036 3460 V CB -1.433 30.394 31.823 0.008 0.000 0.654 3460 V HN 0.634 nan 8.190 nan 0.000 0.451 3461 G N -0.247 108.558 108.800 0.008 0.000 2.433 3461 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 3461 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 3461 G C 1.635 176.539 174.900 0.007 0.000 1.186 3461 G CA 1.313 46.417 45.100 0.007 0.000 0.779 3461 G HN 0.405 nan 8.290 nan 0.000 0.543 3462 V N 0.342 120.261 119.914 0.008 0.000 2.548 3462 V HA -0.095 4.025 4.120 -0.000 0.000 0.249 3462 V C 2.967 179.066 176.094 0.008 0.000 1.055 3462 V CA 1.077 63.382 62.300 0.008 0.000 1.065 3462 V CB -0.023 31.806 31.823 0.009 0.000 0.681 3462 V HN 0.227 nan 8.190 nan 0.000 0.462 3463 V N 1.168 121.087 119.914 0.008 0.000 2.427 3463 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 3463 V C 2.603 178.701 176.094 0.007 0.000 1.051 3463 V CA 2.128 64.433 62.300 0.008 0.000 1.048 3463 V CB -1.220 30.609 31.823 0.009 0.000 0.666 3463 V HN 0.603 nan 8.190 nan 0.000 0.456 3464 G N -1.367 107.437 108.800 0.006 0.000 2.402 3464 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 3464 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 3464 G C 1.758 176.661 174.900 0.005 0.000 1.162 3464 G CA 1.216 46.319 45.100 0.005 0.000 0.777 3464 G HN 0.518 nan 8.290 nan 0.000 0.539 3465 C N 0.482 119.785 119.300 0.005 0.000 2.413 3465 C HA -0.031 4.429 4.460 -0.000 0.000 0.276 3465 C C 3.232 178.225 174.990 0.005 0.000 1.248 3465 C CA 1.623 60.644 59.018 0.005 0.000 1.742 3465 C CB -0.932 26.811 27.740 0.005 0.000 2.017 3465 C HN 0.424 nan 8.230 nan 0.000 0.481 3466 T N 0.537 115.094 114.554 0.005 0.000 2.951 3466 T HA -0.031 4.319 4.350 -0.000 0.000 0.268 3466 T C 1.516 176.219 174.700 0.005 0.000 1.073 3466 T CA 0.907 63.010 62.100 0.005 0.000 1.134 3466 T CB -0.185 68.686 68.868 0.006 0.000 0.884 3466 T HN 0.327 nan 8.240 nan 0.000 0.479 3467 I N 1.152 121.725 120.570 0.005 0.000 2.500 3467 I HA -0.006 4.164 4.170 -0.000 0.000 0.252 3467 I C 2.247 178.366 176.117 0.003 0.000 1.142 3467 I CA 1.224 62.527 61.300 0.004 0.000 1.451 3467 I CB -0.190 37.812 38.000 0.004 0.000 1.093 3467 I HN 0.257 nan 8.210 nan 0.000 0.430 3468 E N -0.738 119.464 120.200 0.003 0.000 2.140 3468 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 3468 E C 0.206 176.808 176.600 0.003 0.000 0.973 3468 E CA 0.495 56.897 56.400 0.003 0.000 0.829 3468 E CB 0.255 29.956 29.700 0.003 0.000 0.781 3468 E HN 0.226 nan 8.360 nan 0.000 0.466 3469 D N -0.485 119.917 120.400 0.004 0.000 2.446 3469 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 3469 D C 0.282 176.585 176.300 0.005 0.000 1.137 3469 D CA -0.392 53.611 54.000 0.004 0.000 0.890 3469 D CB 1.135 41.938 40.800 0.005 0.000 1.071 3469 D HN 0.045 nan 8.370 nan 0.000 0.528 3470 G N 3.107 111.910 108.800 0.005 0.000 3.194 3470 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.208 3470 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.208 3470 G C 0.501 175.405 174.900 0.006 0.000 1.240 3470 G CA 0.064 45.167 45.100 0.005 0.000 1.044 3470 G HN 0.246 nan 8.290 nan 0.000 0.495 3471 R N -0.388 120.115 120.500 0.006 0.000 2.637 3471 R HA 0.697 5.037 4.340 -0.000 0.000 0.291 3471 R C 0.102 176.406 176.300 0.007 0.000 0.963 3471 R CA -0.638 55.466 56.100 0.007 0.000 0.901 3471 R CB 1.697 32.002 30.300 0.008 0.000 1.160 3471 R HN 0.323 nan 8.270 nan 0.000 0.457 3472 I N -1.876 118.698 120.570 0.007 0.000 3.145 3472 I HA 0.861 5.031 4.170 -0.000 0.000 0.313 3472 I C -1.137 174.985 176.117 0.008 0.000 1.122 3472 I CA -1.317 59.986 61.300 0.007 0.000 0.987 3472 I CB 2.475 40.479 38.000 0.006 0.000 1.236 3472 I HN 0.325 nan 8.210 nan 0.000 0.453 3473 V N 1.527 121.444 119.914 0.006 0.000 3.077 3473 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 3473 V C -0.342 175.754 176.094 0.003 0.000 1.276 3473 V CA -0.269 62.035 62.300 0.007 0.000 0.993 3473 V CB 2.604 34.431 31.823 0.006 0.000 1.076 3473 V HN 0.993 nan 8.190 nan 0.000 0.434 3474 S N 3.483 119.188 115.700 0.008 0.000 2.560 3474 S HA 0.504 4.974 4.470 -0.000 0.000 0.284 3474 S C 0.569 175.159 174.600 -0.017 0.000 1.327 3474 S CA 0.377 58.578 58.200 0.002 0.000 1.055 3474 S CB 1.239 64.451 63.200 0.021 0.000 0.868 3474 S HN 1.229 nan 8.310 nan 0.000 0.506 3475 G N 0.618 109.401 108.800 -0.028 0.000 2.945 3475 G HA2 0.523 4.483 3.960 -0.000 0.000 0.156 3475 G HA3 0.523 4.483 3.960 -0.000 0.000 0.156 3475 G C 0.888 175.754 174.900 -0.057 0.000 1.375 3475 G CA -0.197 44.876 45.100 -0.044 0.000 1.039 3475 G HN 1.526 nan 8.290 nan 0.000 0.586 3476 G N -1.502 107.257 108.800 -0.069 0.000 2.258 3476 G HA2 0.247 4.207 3.960 -0.000 0.000 0.274 3476 G HA3 0.247 4.207 3.960 -0.000 0.000 0.274 3476 G C 1.413 176.266 174.900 -0.079 0.000 1.021 3476 G CA 1.252 46.306 45.100 -0.077 0.000 0.798 3476 G HN 2.421 nan 8.290 nan 0.000 0.507 3477 G N -1.458 107.295 108.800 -0.078 0.000 2.160 3477 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.251 3477 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.251 3477 G C 1.331 176.163 174.900 -0.113 0.000 1.008 3477 G CA 1.577 46.625 45.100 -0.087 0.000 0.724 3477 G HN 1.904 nan 8.290 nan 0.000 0.514 3478 S N -0.349 115.281 115.700 -0.118 0.000 2.383 3478 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 3478 S C 2.821 177.334 174.600 -0.145 0.000 1.026 3478 S CA 2.559 60.652 58.200 -0.178 0.000 0.981 3478 S CB -0.455 62.674 63.200 -0.118 0.000 0.818 3478 S HN 1.285 nan 8.310 nan 0.000 0.472 3479 T N 0.207 114.713 114.554 -0.080 0.000 2.622 3479 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 3479 T C 1.581 176.249 174.700 -0.054 0.000 1.047 3479 T CA 1.644 63.715 62.100 -0.048 0.000 1.159 3479 T CB -0.979 67.874 68.868 -0.026 0.000 0.863 3479 T HN 0.386 nan 8.240 nan 0.000 0.422 3480 E N 0.842 121.003 120.200 -0.064 0.000 2.171 3480 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 3480 E C 2.261 178.815 176.600 -0.077 0.000 0.997 3480 E CA 0.831 57.191 56.400 -0.066 0.000 0.810 3480 E CB -0.662 28.988 29.700 -0.084 0.000 0.738 3480 E HN 0.414 nan 8.360 nan 0.000 0.467 3481 V N 0.898 120.745 119.914 -0.113 0.000 2.379 3481 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 3481 V C 2.118 178.151 176.094 -0.102 0.000 1.044 3481 V CA 1.470 63.692 62.300 -0.130 0.000 1.036 3481 V CB -0.316 31.376 31.823 -0.219 0.000 0.664 3481 V HN 0.220 nan 8.190 nan 0.000 0.453 3482 E N 0.054 120.196 120.200 -0.098 0.000 2.051 3482 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 3482 E C 2.193 178.776 176.600 -0.029 0.000 0.991 3482 E CA 1.181 57.562 56.400 -0.033 0.000 0.799 3482 E CB -0.307 29.393 29.700 -0.000 0.000 0.748 3482 E HN 0.338 nan 8.360 nan 0.000 0.449 3483 L N 0.947 122.159 121.223 -0.018 0.000 2.046 3483 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 3483 L C 2.577 179.443 176.870 -0.007 0.000 1.077 3483 L CA 1.467 56.313 54.840 0.010 0.000 0.747 3483 L CB -1.246 40.844 42.059 0.052 0.000 0.896 3483 L HN 0.041 nan 8.230 nan 0.000 0.432 3484 S N -1.247 114.441 115.700 -0.020 0.000 2.368 3484 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 3484 S C 2.049 176.619 174.600 -0.050 0.000 1.030 3484 S CA 1.635 59.821 58.200 -0.023 0.000 0.999 3484 S CB -0.178 62.999 63.200 -0.038 0.000 0.844 3484 S HN 0.330 nan 8.310 nan 0.000 0.459 3485 M N 1.302 120.863 119.600 -0.066 0.000 2.066 3485 M HA 0.034 4.514 4.480 -0.000 0.000 0.259 3485 M C 1.788 177.985 176.300 -0.171 0.000 1.074 3485 M CA 1.887 57.137 55.300 -0.083 0.000 1.114 3485 M CB -0.527 32.042 32.600 -0.051 0.000 1.306 3485 M HN 0.041 nan 8.290 nan 0.000 0.411 3486 K N 0.084 120.339 120.400 -0.241 0.000 2.097 3486 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 3486 K C 1.892 177.939 176.600 -0.922 0.000 1.049 3486 K CA 1.448 57.394 56.287 -0.568 0.000 0.933 3486 K CB -0.776 31.456 32.500 -0.447 0.000 0.717 3486 K HN 0.397 nan 8.250 nan 0.000 0.442 3487 L N 0.354 121.337 121.223 -0.400 0.000 2.131 3487 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 3487 L C 2.594 179.416 176.870 -0.079 0.000 1.092 3487 L CA 0.922 55.675 54.840 -0.146 0.000 0.759 3487 L CB -0.292 41.796 42.059 0.047 0.000 0.903 3487 L HN 0.179 nan 8.230 nan 0.000 0.435 3488 R N 0.754 121.193 120.500 -0.102 0.000 2.092 3488 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 3488 R C 1.865 178.141 176.300 -0.040 0.000 1.119 3488 R CA 1.546 57.621 56.100 -0.041 0.000 0.970 3488 R CB -0.056 30.223 30.300 -0.036 0.000 0.864 3488 R HN 0.485 nan 8.270 nan 0.000 0.440 3489 E N -0.787 119.341 120.200 -0.119 0.000 2.072 3489 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 3489 E C 1.886 178.546 176.600 0.100 0.000 0.982 3489 E CA 0.941 57.312 56.400 -0.048 0.000 0.803 3489 E CB -0.179 29.458 29.700 -0.105 0.000 0.755 3489 E HN 0.318 nan 8.360 nan 0.000 0.453 3490 Y N 0.806 121.115 120.300 0.016 0.000 2.207 3490 Y HA -0.166 4.384 4.550 -0.000 0.000 0.287 3490 Y C 2.397 178.304 175.900 0.011 0.000 1.156 3490 Y CA 0.643 58.750 58.100 0.010 0.000 1.182 3490 Y CB -1.250 37.213 38.460 0.006 0.000 0.979 3490 Y HN 0.041 nan 8.280 nan 0.000 0.521 3491 A N 0.327 123.248 122.820 0.168 0.000 1.883 3491 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 3491 A C 2.203 179.833 177.584 0.077 0.000 1.186 3491 A CA 1.852 53.950 52.037 0.102 0.000 0.624 3491 A CB -0.486 18.561 19.000 0.078 0.000 0.822 3491 A HN 0.342 nan 8.150 nan 0.000 0.444 3492 E N -0.535 119.707 120.200 0.070 0.000 2.150 3492 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 3492 E C 2.156 178.789 176.600 0.055 0.000 0.985 3492 E CA 1.081 57.512 56.400 0.053 0.000 0.814 3492 E CB -0.652 29.074 29.700 0.043 0.000 0.752 3492 E HN 0.603 nan 8.360 nan 0.000 0.466 3493 G N 1.151 109.997 108.800 0.076 0.000 2.402 3493 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 3493 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 3493 G C 1.739 176.663 174.900 0.039 0.000 1.162 3493 G CA 0.403 45.540 45.100 0.061 0.000 0.777 3493 G HN 0.179 nan 8.290 nan 0.000 0.539 3494 I N -0.143 120.453 120.570 0.044 0.000 2.286 3494 I HA 0.010 4.180 4.170 -0.000 0.000 0.245 3494 I C 1.749 177.879 176.117 0.023 0.000 1.104 3494 I CA 0.622 61.938 61.300 0.026 0.000 1.397 3494 I CB -0.276 37.741 38.000 0.029 0.000 1.072 3494 I HN 0.318 nan 8.210 nan 0.000 0.417 3495 S N -0.721 114.997 115.700 0.030 0.000 3.307 3495 S HA -0.152 4.318 4.470 -0.000 0.000 0.634 3495 S C 0.591 175.203 174.600 0.020 0.000 2.711 3495 S CA 0.944 59.159 58.200 0.025 0.000 2.940 3495 S CB -1.371 61.840 63.200 0.019 0.000 0.331 3495 S HN 1.369 nan 8.310 nan 0.000 1.766 3496 G N 0.622 109.432 108.800 0.016 0.000 2.569 3496 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.259 3496 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.259 3496 G C 0.149 175.058 174.900 0.016 0.000 1.263 3496 G CA 1.165 46.273 45.100 0.013 0.000 0.928 3496 G HN 1.159 nan 8.290 nan 0.000 0.572 3497 R N 0.298 120.805 120.500 0.013 0.000 2.153 3497 R HA 0.194 4.534 4.340 -0.000 0.000 0.218 3497 R C 2.596 178.906 176.300 0.016 0.000 1.072 3497 R CA 1.803 57.912 56.100 0.015 0.000 0.990 3497 R CB -0.363 29.945 30.300 0.014 0.000 0.889 3497 R HN 0.707 nan 8.270 nan 0.000 0.452 3498 E N 0.469 120.676 120.200 0.012 0.000 2.160 3498 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 3498 E C 1.810 178.429 176.600 0.032 0.000 0.991 3498 E CA 1.453 57.860 56.400 0.012 0.000 0.810 3498 E CB -0.010 29.693 29.700 0.004 0.000 0.742 3498 E HN 0.534 nan 8.360 nan 0.000 0.466 3499 Q N 0.444 120.266 119.800 0.036 0.000 2.170 3499 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 3499 Q C 1.976 178.014 176.000 0.063 0.000 0.976 3499 Q CA 1.048 56.883 55.803 0.052 0.000 0.858 3499 Q CB -0.172 28.593 28.738 0.045 0.000 0.907 3499 Q HN 0.165 nan 8.270 nan 0.000 0.433 3500 L N 1.165 122.419 121.223 0.052 0.000 2.093 3500 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 3500 L C 2.559 179.482 176.870 0.089 0.000 1.085 3500 L CA 1.898 56.774 54.840 0.060 0.000 0.755 3500 L CB -1.077 41.006 42.059 0.039 0.000 0.904 3500 L HN 0.410 nan 8.230 nan 0.000 0.435 3501 A N -1.244 121.620 122.820 0.074 0.000 1.898 3501 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 3501 A C 2.331 180.076 177.584 0.268 0.000 1.181 3501 A CA 1.677 53.769 52.037 0.092 0.000 0.620 3501 A CB -0.802 18.186 19.000 -0.020 0.000 0.819 3501 A HN 0.193 nan 8.150 nan 0.000 0.442 3502 V N -0.125 119.901 119.914 0.186 0.000 2.515 3502 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 3502 V C 2.575 178.799 176.094 0.217 0.000 1.058 3502 V CA 2.043 64.462 62.300 0.198 0.000 1.064 3502 V CB -0.795 31.098 31.823 0.117 0.000 0.675 3502 V HN 0.607 nan 8.190 nan 0.000 0.461 3503 R N 0.228 120.828 120.500 0.167 0.000 2.075 3503 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 3503 R C 2.290 178.679 176.300 0.148 0.000 1.126 3503 R CA 1.498 57.675 56.100 0.128 0.000 0.963 3503 R CB -0.344 30.008 30.300 0.087 0.000 0.858 3503 R HN 0.490 nan 8.270 nan 0.000 0.435 3504 A N 0.004 122.951 122.820 0.212 0.000 1.969 3504 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 3504 A C 1.906 179.596 177.584 0.178 0.000 1.169 3504 A CA 0.892 53.063 52.037 0.223 0.000 0.635 3504 A CB -0.624 18.566 19.000 0.317 0.000 0.810 3504 A HN 0.483 nan 8.150 nan 0.000 0.445 3505 F N 0.881 120.877 119.950 0.077 0.000 2.134 3505 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 3505 F C 2.518 178.248 175.800 -0.118 0.000 1.097 3505 F CA 1.283 59.159 58.000 -0.207 0.000 1.264 3505 F CB -0.228 38.684 39.000 -0.148 0.000 1.001 3505 F HN 0.249 nan 8.300 nan 0.000 0.479 3506 A N -0.271 122.646 122.820 0.161 0.000 1.933 3506 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 3506 A C 1.876 179.438 177.584 -0.037 0.000 1.175 3506 A CA 1.965 54.040 52.037 0.064 0.000 0.628 3506 A CB -0.863 18.187 19.000 0.083 0.000 0.814 3506 A HN 0.413 nan 8.150 nan 0.000 0.444 3507 D N -0.103 120.281 120.400 -0.026 0.000 2.224 3507 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 3507 D C 2.118 178.359 176.300 -0.098 0.000 0.965 3507 D CA 1.227 55.201 54.000 -0.044 0.000 0.852 3507 D CB -0.284 40.511 40.800 -0.007 0.000 0.947 3507 D HN 0.421 nan 8.370 nan 0.000 0.494 3508 A N 0.537 123.255 122.820 -0.170 0.000 1.969 3508 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 3508 A C 2.243 179.663 177.584 -0.274 0.000 1.169 3508 A CA 0.549 52.440 52.037 -0.244 0.000 0.635 3508 A CB -0.631 18.136 19.000 -0.389 0.000 0.810 3508 A HN 0.204 nan 8.150 nan 0.000 0.445 3509 L N -0.575 120.466 121.223 -0.305 0.000 2.265 3509 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 3509 L C 2.411 179.187 176.870 -0.157 0.000 1.117 3509 L CA 1.484 56.174 54.840 -0.251 0.000 0.782 3509 L CB -0.418 41.517 42.059 -0.207 0.000 0.914 3509 L HN 0.564 nan 8.230 nan 0.000 0.441 3510 E N 0.000 120.124 120.200 -0.128 0.000 2.409 3510 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 3510 E C 2.202 178.750 176.600 -0.086 0.000 1.024 3510 E CA 0.501 56.845 56.400 -0.093 0.000 0.861 3510 E CB 0.176 29.832 29.700 -0.074 0.000 0.788 3510 E HN 0.307 nan 8.360 nan 0.000 0.521 3511 V N 0.870 120.725 119.914 -0.098 0.000 2.469 3511 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 3511 V C 1.919 177.968 176.094 -0.075 0.000 1.064 3511 V CA 1.224 63.475 62.300 -0.082 0.000 1.066 3511 V CB -0.296 31.473 31.823 -0.090 0.000 0.667 3511 V HN 0.324 nan 8.190 nan 0.000 0.461 3512 I N 0.636 121.156 120.570 -0.084 0.000 2.113 3512 I HA -0.093 4.077 4.170 -0.000 0.000 0.238 3512 I C 0.308 176.386 176.117 -0.066 0.000 1.070 3512 I CA 1.823 63.079 61.300 -0.074 0.000 1.332 3512 I CB -3.030 34.922 38.000 -0.079 0.000 1.044 3512 I HN 0.336 nan 8.210 nan 0.000 0.402 3513 P HA -0.137 nan 4.420 nan 0.000 0.216 3513 P C 1.727 178.995 177.300 -0.052 0.000 1.153 3513 P CA 1.396 64.458 63.100 -0.062 0.000 0.858 3513 P CB -0.120 31.540 31.700 -0.066 0.000 0.789 3514 R N -0.637 119.832 120.500 -0.051 0.000 2.091 3514 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 3514 R C 2.151 178.428 176.300 -0.038 0.000 1.136 3514 R CA 2.208 58.282 56.100 -0.043 0.000 0.959 3514 R CB -2.033 28.241 30.300 -0.044 0.000 0.856 3514 R HN 0.356 nan 8.270 nan 0.000 0.437 3515 T N -1.902 112.627 114.554 -0.041 0.000 3.057 3515 T HA 0.067 4.417 4.350 -0.000 0.000 0.254 3515 T C 1.903 176.583 174.700 -0.033 0.000 1.094 3515 T CA -0.047 62.033 62.100 -0.035 0.000 1.088 3515 T CB -0.015 68.832 68.868 -0.036 0.000 0.934 3515 T HN -0.103 nan 8.240 nan 0.000 0.497 3516 L N 1.811 123.010 121.223 -0.040 0.000 2.027 3516 L HA 0.298 4.638 4.340 -0.000 0.000 0.206 3516 L C 2.934 179.782 176.870 -0.037 0.000 1.074 3516 L CA 1.766 56.581 54.840 -0.043 0.000 0.745 3516 L CB -1.169 40.858 42.059 -0.054 0.000 0.898 3516 L HN 0.429 nan 8.230 nan 0.000 0.433 3517 A N -1.641 121.158 122.820 -0.035 0.000 2.021 3517 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 3517 A C 2.278 179.851 177.584 -0.018 0.000 1.163 3517 A CA 1.055 53.076 52.037 -0.026 0.000 0.676 3517 A CB -0.387 18.597 19.000 -0.027 0.000 0.818 3517 A HN 0.465 nan 8.150 nan 0.000 0.453 3518 E N 0.340 120.528 120.200 -0.020 0.000 2.028 3518 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 3518 E C 1.483 178.077 176.600 -0.010 0.000 0.988 3518 E CA 1.337 57.729 56.400 -0.015 0.000 0.799 3518 E CB -0.137 29.552 29.700 -0.018 0.000 0.755 3518 E HN 0.512 nan 8.360 nan 0.000 0.447 3519 N N 0.303 118.996 118.700 -0.011 0.000 2.309 3519 N HA -0.107 4.633 4.740 -0.000 0.000 0.182 3519 N C 1.396 176.908 175.510 0.003 0.000 1.018 3519 N CA 1.122 54.169 53.050 -0.005 0.000 0.876 3519 N CB -0.217 38.266 38.487 -0.008 0.000 0.972 3519 N HN 0.233 nan 8.380 nan 0.000 0.434 3520 A N -0.125 122.695 122.820 0.000 0.000 2.067 3520 A HA 0.319 4.639 4.320 -0.000 0.000 0.217 3520 A C 1.512 179.105 177.584 0.015 0.000 1.156 3520 A CA 1.109 53.153 52.037 0.011 0.000 0.683 3520 A CB -0.371 18.629 19.000 0.000 0.000 0.808 3520 A HN 0.313 nan 8.150 nan 0.000 0.455 3521 G N -1.329 107.475 108.800 0.006 0.000 2.149 3521 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.235 3521 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.235 3521 G C -0.026 174.877 174.900 0.005 0.000 1.018 3521 G CA 0.285 45.388 45.100 0.006 0.000 0.728 3521 G HN 0.432 nan 8.290 nan 0.000 0.508 3522 L N 0.133 121.357 121.223 0.001 0.000 2.399 3522 L HA 0.446 4.786 4.340 -0.000 0.000 0.265 3522 L C 0.547 177.414 176.870 -0.006 0.000 1.089 3522 L CA -1.011 53.828 54.840 -0.002 0.000 0.802 3522 L CB 0.844 42.899 42.059 -0.005 0.000 1.180 3522 L HN 0.095 nan 8.230 nan 0.000 0.454 3523 D N 1.184 121.581 120.400 -0.005 0.000 2.346 3523 D HA 0.077 4.717 4.640 -0.000 0.000 0.267 3523 D C 0.755 177.048 176.300 -0.012 0.000 1.320 3523 D CA 0.170 54.166 54.000 -0.007 0.000 0.951 3523 D CB 1.602 42.398 40.800 -0.005 0.000 1.079 3523 D HN 0.638 nan 8.370 nan 0.000 0.509 3524 A N 4.925 127.736 122.820 -0.014 0.000 1.908 3524 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 3524 A C 2.301 179.873 177.584 -0.020 0.000 1.181 3524 A CA 1.022 53.047 52.037 -0.020 0.000 0.627 3524 A CB -0.353 18.635 19.000 -0.021 0.000 0.818 3524 A HN 0.755 nan 8.150 nan 0.000 0.445 3525 I N -1.070 119.490 120.570 -0.016 0.000 2.142 3525 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 3525 I C 2.607 178.716 176.117 -0.013 0.000 1.078 3525 I CA 1.861 63.152 61.300 -0.015 0.000 1.343 3525 I CB -0.329 37.664 38.000 -0.012 0.000 1.046 3525 I HN 0.368 nan 8.210 nan 0.000 0.405 3526 E N 1.226 121.420 120.200 -0.011 0.000 2.072 3526 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 3526 E C 2.131 178.726 176.600 -0.009 0.000 0.985 3526 E CA 1.221 57.616 56.400 -0.008 0.000 0.801 3526 E CB -0.020 29.677 29.700 -0.006 0.000 0.750 3526 E HN 0.238 nan 8.360 nan 0.000 0.452 3527 I N 0.372 120.935 120.570 -0.012 0.000 2.127 3527 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 3527 I C 2.079 178.186 176.117 -0.017 0.000 1.075 3527 I CA 0.948 62.239 61.300 -0.014 0.000 1.334 3527 I CB -1.090 36.899 38.000 -0.018 0.000 1.040 3527 I HN 0.226 nan 8.210 nan 0.000 0.405 3528 L N 0.147 121.356 121.223 -0.022 0.000 2.042 3528 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 3528 L C 2.622 179.480 176.870 -0.019 0.000 1.076 3528 L CA 1.383 56.206 54.840 -0.027 0.000 0.749 3528 L CB -1.204 40.836 42.059 -0.031 0.000 0.893 3528 L HN 0.018 nan 8.230 nan 0.000 0.432 3529 V N -0.830 119.076 119.914 -0.013 0.000 2.358 3529 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 3529 V C 2.600 178.693 176.094 -0.001 0.000 1.047 3529 V CA 1.345 63.641 62.300 -0.007 0.000 1.035 3529 V CB -0.519 31.301 31.823 -0.006 0.000 0.658 3529 V HN 0.379 nan 8.190 nan 0.000 0.452 3530 K N -0.071 120.329 120.400 -0.001 0.000 2.057 3530 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 3530 K C 2.141 178.747 176.600 0.010 0.000 1.050 3530 K CA 1.051 57.340 56.287 0.004 0.000 0.935 3530 K CB -0.713 31.788 32.500 0.001 0.000 0.715 3530 K HN 0.383 nan 8.250 nan 0.000 0.439 3531 V N 1.534 121.450 119.914 0.004 0.000 2.261 3531 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 3531 V C 2.495 178.610 176.094 0.035 0.000 1.047 3531 V CA 1.660 63.966 62.300 0.011 0.000 1.015 3531 V CB -0.428 31.386 31.823 -0.014 0.000 0.642 3531 V HN 0.299 nan 8.190 nan 0.000 0.446 3532 R N 0.044 120.551 120.500 0.013 0.000 2.091 3532 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 3532 R C 2.414 178.757 176.300 0.071 0.000 1.136 3532 R CA 1.581 57.699 56.100 0.029 0.000 0.959 3532 R CB -0.660 29.638 30.300 -0.003 0.000 0.856 3532 R HN 0.558 nan 8.270 nan 0.000 0.437 3533 A N 1.252 124.096 122.820 0.041 0.000 1.858 3533 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 3533 A C 2.405 180.012 177.584 0.038 0.000 1.190 3533 A CA 1.724 53.781 52.037 0.033 0.000 0.617 3533 A CB -0.802 18.209 19.000 0.017 0.000 0.827 3533 A HN 0.405 nan 8.150 nan 0.000 0.443 3534 A N -1.210 121.634 122.820 0.041 0.000 1.908 3534 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 3534 A C 2.154 179.766 177.584 0.046 0.000 1.181 3534 A CA 1.868 53.926 52.037 0.035 0.000 0.627 3534 A CB -0.992 18.028 19.000 0.032 0.000 0.818 3534 A HN 0.791 nan 8.150 nan 0.000 0.445 3535 H N 0.023 119.085 119.070 -0.013 0.000 2.353 3535 H HA -0.046 4.510 4.556 0.000 0.000 0.300 3535 H C 2.207 177.527 175.328 -0.012 0.000 1.090 3535 H CA 1.662 57.702 56.048 -0.013 0.000 1.327 3535 H CB -0.214 29.538 29.762 -0.016 0.000 1.383 3535 H HN 0.397 nan 8.280 nan 0.000 0.508 3536 A N -0.082 122.748 122.820 0.017 0.000 2.019 3536 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 3536 A C 2.700 180.239 177.584 -0.075 0.000 1.164 3536 A CA 1.799 53.816 52.037 -0.033 0.000 0.644 3536 A CB -0.624 18.396 19.000 0.034 0.000 0.805 3536 A HN 0.511 nan 8.150 nan 0.000 0.449 3537 S N -0.556 115.109 115.700 -0.058 0.000 2.370 3537 S HA -0.054 4.416 4.470 -0.000 0.000 0.214 3537 S C 1.792 176.351 174.600 -0.068 0.000 1.033 3537 S CA 0.788 58.959 58.200 -0.049 0.000 0.941 3537 S CB -0.354 62.832 63.200 -0.024 0.000 0.886 3537 S HN 0.568 nan 8.310 nan 0.000 0.521 3538 N N 1.309 119.969 118.700 -0.067 0.000 2.396 3538 N HA 0.212 4.952 4.740 -0.000 0.000 0.180 3538 N C 1.070 176.520 175.510 -0.099 0.000 1.028 3538 N CA 1.012 54.024 53.050 -0.063 0.000 0.893 3538 N CB -0.019 38.447 38.487 -0.035 0.000 0.967 3538 N HN 0.634 nan 8.380 nan 0.000 0.440 3539 G N 0.338 109.023 108.800 -0.193 0.000 2.378 3539 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.198 3539 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.198 3539 G C 0.050 174.728 174.900 -0.369 0.000 1.223 3539 G CA -0.035 44.910 45.100 -0.258 0.000 1.088 3539 G HN 0.263 nan 8.290 nan 0.000 0.530 3540 N N 0.432 119.028 118.700 -0.174 0.000 2.415 3540 N HA 0.138 4.878 4.740 -0.000 0.000 0.174 3540 N C 1.618 177.168 175.510 0.067 0.000 1.048 3540 N CA 1.169 54.225 53.050 0.011 0.000 0.895 3540 N CB 0.139 38.660 38.487 0.055 0.000 1.036 3540 N HN 0.609 nan 8.380 nan 0.000 0.449 3541 K N -0.653 119.757 120.400 0.015 0.000 2.399 3541 K HA 0.378 4.698 4.320 -0.000 0.000 0.204 3541 K C -0.540 176.068 176.600 0.013 0.000 1.023 3541 K CA 0.010 56.308 56.287 0.019 0.000 1.127 3541 K CB 0.333 32.837 32.500 0.008 0.000 0.856 3541 K HN 0.016 nan 8.250 nan 0.000 0.514 3542 C N 1.294 120.600 119.300 0.011 0.000 3.401 3542 C HA 0.706 5.166 4.460 -0.000 0.000 0.204 3542 C C 0.406 175.411 174.990 0.026 0.000 1.522 3542 C CA -0.507 58.515 59.018 0.007 0.000 1.409 3542 C CB -0.542 27.189 27.740 -0.015 0.000 1.967 3542 C HN 0.662 nan 8.230 nan 0.000 0.496 3543 A N 0.477 123.326 122.820 0.050 0.000 3.169 3543 A HA 0.930 5.250 4.320 -0.000 0.000 0.146 3543 A C 0.531 178.136 177.584 0.034 0.000 1.265 3543 A CA 0.559 52.637 52.037 0.069 0.000 2.339 3543 A CB -0.749 18.346 19.000 0.160 0.000 2.810 3543 A HN 1.986 nan 8.150 nan 0.000 1.169 3544 G N -1.369 107.450 108.800 0.031 0.000 2.960 3544 G HA2 0.229 4.189 3.960 -0.000 0.000 0.267 3544 G HA3 0.229 4.189 3.960 -0.000 0.000 0.267 3544 G C -0.322 174.562 174.900 -0.027 0.000 1.492 3544 G CA 0.209 45.299 45.100 -0.016 0.000 0.953 3544 G HN 2.018 nan 8.290 nan 0.000 0.555 3545 L N 0.085 121.278 121.223 -0.051 0.000 2.312 3545 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 3545 L C 0.231 177.049 176.870 -0.086 0.000 1.070 3545 L CA -0.829 53.976 54.840 -0.058 0.000 0.805 3545 L CB 1.599 43.620 42.059 -0.064 0.000 1.174 3545 L HN 0.674 nan 8.230 nan 0.000 0.434 3546 N N 3.115 121.770 118.700 -0.074 0.000 2.800 3546 N HA 0.232 4.972 4.740 -0.000 0.000 0.240 3546 N C 0.658 176.109 175.510 -0.099 0.000 1.096 3546 N CA -0.310 52.675 53.050 -0.108 0.000 0.877 3546 N CB 0.942 39.402 38.487 -0.044 0.000 1.138 3546 N HN 0.515 nan 8.380 nan 0.000 0.509 3547 V N 2.526 122.326 119.914 -0.189 0.000 2.453 3547 V HA -0.246 3.874 4.120 -0.000 0.000 0.252 3547 V C 1.485 177.623 176.094 0.073 0.000 1.068 3547 V CA 1.545 63.784 62.300 -0.101 0.000 1.070 3547 V CB -0.815 30.914 31.823 -0.157 0.000 0.664 3547 V HN 0.581 nan 8.190 nan 0.000 0.461 3548 F N 1.179 121.127 119.950 -0.004 0.000 2.146 3548 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 3548 F C 2.665 178.464 175.800 -0.003 0.000 1.096 3548 F CA 1.773 59.771 58.000 -0.004 0.000 1.275 3548 F CB -1.582 37.416 39.000 -0.004 0.000 1.008 3548 F HN 0.383 nan 8.300 nan 0.000 0.480 3549 T N -3.750 110.916 114.554 0.187 0.000 3.044 3549 T HA 0.369 4.719 4.350 -0.000 0.000 0.250 3549 T C 1.562 176.299 174.700 0.061 0.000 1.081 3549 T CA 0.477 62.637 62.100 0.100 0.000 1.040 3549 T CB -0.122 68.792 68.868 0.077 0.000 0.962 3549 T HN 0.420 nan 8.240 nan 0.000 0.506 3550 G N 1.192 110.024 108.800 0.052 0.000 2.295 3550 G HA2 0.199 4.159 3.960 -0.000 0.000 0.287 3550 G HA3 0.199 4.159 3.960 -0.000 0.000 0.287 3550 G C 0.112 175.021 174.900 0.015 0.000 1.055 3550 G CA -0.055 45.061 45.100 0.027 0.000 0.922 3550 G HN 1.442 nan 8.290 nan 0.000 0.503 3551 A N -1.699 121.127 122.820 0.011 0.000 2.608 3551 A HA 0.943 5.263 4.320 -0.000 0.000 0.292 3551 A C 0.309 177.895 177.584 0.002 0.000 1.066 3551 A CA 0.048 52.090 52.037 0.008 0.000 0.676 3551 A CB 0.881 19.889 19.000 0.013 0.000 1.277 3551 A HN 1.942 nan 8.150 nan 0.000 0.413 3552 V N -0.647 119.269 119.914 0.003 0.000 3.209 3552 V HA 0.514 4.634 4.120 -0.000 0.000 0.305 3552 V C 0.173 176.271 176.094 0.006 0.000 1.127 3552 V CA 0.368 62.670 62.300 0.004 0.000 1.235 3552 V CB 0.180 32.009 31.823 0.011 0.000 0.987 3552 V HN 0.940 nan 8.190 nan 0.000 0.499 3553 E N 0.679 120.882 120.200 0.006 0.000 2.296 3553 E HA 0.384 4.734 4.350 -0.000 0.000 0.224 3553 E C -1.412 175.194 176.600 0.010 0.000 0.949 3553 E CA -0.598 55.807 56.400 0.008 0.000 0.879 3553 E CB 0.821 30.526 29.700 0.008 0.000 1.922 3553 E HN 0.877 nan 8.360 nan 0.000 0.437 3554 D N 1.263 121.668 120.400 0.009 0.000 2.441 3554 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 3554 D C 0.871 177.175 176.300 0.008 0.000 1.073 3554 D CA -0.303 53.702 54.000 0.009 0.000 0.850 3554 D CB 0.801 41.606 40.800 0.008 0.000 1.062 3554 D HN 0.188 nan 8.370 nan 0.000 0.524 3555 M N 1.946 121.551 119.600 0.007 0.000 2.108 3555 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 3555 M C 2.281 178.584 176.300 0.005 0.000 1.066 3555 M CA 0.860 56.161 55.300 0.001 0.000 1.107 3555 M CB -1.094 31.507 32.600 0.001 0.000 1.356 3555 M HN 0.547 nan 8.290 nan 0.000 0.406 3556 C N 0.447 119.752 119.300 0.008 0.000 2.453 3556 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 3556 C C 2.713 177.708 174.990 0.009 0.000 1.262 3556 C CA 1.496 60.519 59.018 0.008 0.000 1.718 3556 C CB -0.857 26.888 27.740 0.008 0.000 2.031 3556 C HN 0.596 nan 8.230 nan 0.000 0.480 3557 E N 1.153 121.358 120.200 0.009 0.000 2.118 3557 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 3557 E C 1.611 178.219 176.600 0.014 0.000 0.992 3557 E CA 1.681 58.087 56.400 0.010 0.000 0.804 3557 E CB -0.374 29.332 29.700 0.010 0.000 0.741 3557 E HN 0.632 nan 8.360 nan 0.000 0.458 3558 N N -0.433 118.275 118.700 0.015 0.000 2.398 3558 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 3558 N C 0.546 176.068 175.510 0.020 0.000 1.122 3558 N CA 0.898 53.961 53.050 0.021 0.000 0.866 3558 N CB 0.528 39.028 38.487 0.022 0.000 0.970 3558 N HN 0.287 nan 8.380 nan 0.000 0.462 3559 G N 0.540 109.348 108.800 0.014 0.000 2.283 3559 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 3559 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 3559 G C -0.090 174.816 174.900 0.010 0.000 1.029 3559 G CA 0.261 45.369 45.100 0.013 0.000 0.840 3559 G HN 0.200 nan 8.290 nan 0.000 0.505 3560 V N 1.064 120.979 119.914 0.002 0.000 2.222 3560 V HA 0.477 4.597 4.120 -0.000 0.000 0.253 3560 V C 0.792 176.877 176.094 -0.014 0.000 1.210 3560 V CA 0.068 62.361 62.300 -0.012 0.000 1.079 3560 V CB 0.540 32.343 31.823 -0.034 0.000 1.265 3560 V HN 0.960 nan 8.190 nan 0.000 0.494 3561 V N 1.912 121.822 119.914 -0.007 0.000 2.914 3561 V HA 0.888 5.008 4.120 -0.000 0.000 0.314 3561 V C -0.574 175.516 176.094 -0.007 0.000 1.084 3561 V CA -0.850 61.446 62.300 -0.006 0.000 0.963 3561 V CB 2.295 34.119 31.823 0.000 0.000 1.025 3561 V HN 0.777 nan 8.190 nan 0.000 0.432 3562 E N 2.151 122.347 120.200 -0.008 0.000 2.336 3562 E HA 0.723 5.073 4.350 -0.000 0.000 0.267 3562 E C -3.108 173.490 176.600 -0.002 0.000 0.906 3562 E CA -2.474 53.922 56.400 -0.006 0.000 0.781 3562 E CB 2.130 31.823 29.700 -0.012 0.000 1.261 3562 E HN 0.494 nan 8.360 nan 0.000 0.436 3563 P HA -0.032 nan 4.420 nan 0.000 0.269 3563 P C 0.336 177.637 177.300 0.001 0.000 1.209 3563 P CA -0.410 62.691 63.100 0.002 0.000 0.776 3563 P CB 0.523 32.225 31.700 0.002 0.000 0.876 3564 L N 3.404 124.630 121.223 0.004 0.000 2.093 3564 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 3564 L C 2.202 179.076 176.870 0.006 0.000 1.085 3564 L CA 1.714 56.557 54.840 0.005 0.000 0.755 3564 L CB -0.628 41.436 42.059 0.008 0.000 0.904 3564 L HN 0.268 nan 8.230 nan 0.000 0.435 3565 R N -1.442 119.061 120.500 0.005 0.000 2.127 3565 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 3565 R C 2.103 178.405 176.300 0.004 0.000 1.134 3565 R CA 1.415 57.518 56.100 0.005 0.000 0.975 3565 R CB -0.597 29.706 30.300 0.005 0.000 0.865 3565 R HN 0.293 nan 8.270 nan 0.000 0.447 3566 V N 1.361 121.276 119.914 0.002 0.000 2.255 3566 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 3566 V C 2.289 178.382 176.094 -0.001 0.000 1.051 3566 V CA 1.710 64.010 62.300 -0.001 0.000 1.018 3566 V CB -0.332 31.489 31.823 -0.004 0.000 0.641 3566 V HN 0.221 nan 8.190 nan 0.000 0.445 3567 K N -0.263 120.137 120.400 -0.001 0.000 2.103 3567 K HA -0.060 4.259 4.320 -0.000 0.000 0.204 3567 K C 2.233 178.838 176.600 0.008 0.000 1.052 3567 K CA 1.567 57.854 56.287 -0.001 0.000 0.945 3567 K CB -0.704 31.795 32.500 -0.002 0.000 0.722 3567 K HN 0.501 nan 8.250 nan 0.000 0.443 3568 T N 1.342 115.903 114.554 0.011 0.000 2.737 3568 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 3568 T C 1.928 176.638 174.700 0.017 0.000 1.038 3568 T CA 1.434 63.544 62.100 0.017 0.000 1.144 3568 T CB -0.074 68.803 68.868 0.015 0.000 0.866 3568 T HN 0.157 nan 8.240 nan 0.000 0.434 3569 Q N 1.315 121.122 119.800 0.012 0.000 2.079 3569 Q HA 0.119 4.459 4.340 -0.000 0.000 0.200 3569 Q C 2.312 178.319 176.000 0.012 0.000 0.974 3569 Q CA 1.665 57.475 55.803 0.012 0.000 0.840 3569 Q CB -0.741 28.002 28.738 0.008 0.000 0.898 3569 Q HN 0.471 nan 8.270 nan 0.000 0.430 3570 A N 0.402 123.227 122.820 0.008 0.000 1.892 3570 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 3570 A C 2.145 179.735 177.584 0.010 0.000 1.188 3570 A CA 1.781 53.820 52.037 0.003 0.000 0.631 3570 A CB -0.878 18.119 19.000 -0.005 0.000 0.822 3570 A HN 0.489 nan 8.150 nan 0.000 0.447 3571 I N -1.086 119.496 120.570 0.020 0.000 2.202 3571 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 3571 I C 2.783 178.932 176.117 0.052 0.000 1.091 3571 I CA 1.776 63.102 61.300 0.043 0.000 1.368 3571 I CB -0.347 37.694 38.000 0.067 0.000 1.058 3571 I HN 0.439 nan 8.210 nan 0.000 0.410 3572 Q N 1.101 120.924 119.800 0.039 0.000 1.975 3572 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 3572 Q C 2.295 178.315 176.000 0.034 0.000 0.990 3572 Q CA 2.630 58.454 55.803 0.036 0.000 0.845 3572 Q CB -0.375 28.378 28.738 0.025 0.000 0.913 3572 Q HN 0.327 nan 8.270 nan 0.000 0.420 3573 S N 0.192 115.907 115.700 0.025 0.000 2.383 3573 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 3573 S C 1.897 176.512 174.600 0.024 0.000 1.030 3573 S CA 0.987 59.200 58.200 0.021 0.000 1.002 3573 S CB -0.666 62.543 63.200 0.014 0.000 0.829 3573 S HN 0.587 nan 8.310 nan 0.000 0.467 3574 A N 1.547 124.381 122.820 0.024 0.000 1.877 3574 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 3574 A C 2.362 179.971 177.584 0.041 0.000 1.186 3574 A CA 1.725 53.775 52.037 0.021 0.000 0.620 3574 A CB -1.079 17.924 19.000 0.005 0.000 0.822 3574 A HN 0.524 nan 8.150 nan 0.000 0.443 3575 A N -0.319 122.539 122.820 0.065 0.000 1.930 3575 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 3575 A C 1.885 179.518 177.584 0.081 0.000 1.175 3575 A CA 1.512 53.608 52.037 0.099 0.000 0.627 3575 A CB -0.502 18.572 19.000 0.123 0.000 0.815 3575 A HN 0.625 nan 8.150 nan 0.000 0.443 3576 E N 0.054 120.289 120.200 0.058 0.000 2.153 3576 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 3576 E C 2.164 178.791 176.600 0.044 0.000 0.988 3576 E CA 1.241 57.669 56.400 0.047 0.000 0.811 3576 E CB -0.093 29.627 29.700 0.034 0.000 0.746 3576 E HN 0.605 nan 8.360 nan 0.000 0.466 3577 S N 0.182 115.907 115.700 0.041 0.000 2.377 3577 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 3577 S C 2.107 176.735 174.600 0.047 0.000 1.030 3577 S CA 1.146 59.368 58.200 0.036 0.000 0.970 3577 S CB -0.159 63.057 63.200 0.027 0.000 0.830 3577 S HN 0.255 nan 8.310 nan 0.000 0.473 3578 T N 1.976 116.567 114.554 0.063 0.000 2.788 3578 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 3578 T C 1.786 176.545 174.700 0.098 0.000 1.044 3578 T CA 1.049 63.202 62.100 0.087 0.000 1.139 3578 T CB -0.236 68.704 68.868 0.121 0.000 0.867 3578 T HN 0.329 nan 8.240 nan 0.000 0.454 3579 E N 1.015 121.271 120.200 0.093 0.000 2.150 3579 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 3579 E C 2.155 178.788 176.600 0.055 0.000 0.985 3579 E CA 0.709 57.157 56.400 0.080 0.000 0.814 3579 E CB -0.258 29.484 29.700 0.070 0.000 0.752 3579 E HN 0.341 nan 8.360 nan 0.000 0.466 3580 M N 0.653 120.281 119.600 0.047 0.000 2.117 3580 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 3580 M C 2.143 178.464 176.300 0.035 0.000 1.065 3580 M CA 1.179 56.501 55.300 0.036 0.000 1.114 3580 M CB -0.491 32.127 32.600 0.031 0.000 1.361 3580 M HN 0.127 nan 8.290 nan 0.000 0.408 3581 L N -0.108 121.139 121.223 0.040 0.000 2.056 3581 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 3581 L C 2.463 179.356 176.870 0.037 0.000 1.078 3581 L CA 0.852 55.714 54.840 0.036 0.000 0.749 3581 L CB -0.747 41.335 42.059 0.039 0.000 0.901 3581 L HN 0.294 nan 8.230 nan 0.000 0.433 3582 L N -0.378 120.873 121.223 0.048 0.000 2.191 3582 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 3582 L C 2.770 179.659 176.870 0.031 0.000 1.103 3582 L CA 0.989 55.854 54.840 0.041 0.000 0.769 3582 L CB -0.426 41.664 42.059 0.052 0.000 0.908 3582 L HN 0.261 nan 8.230 nan 0.000 0.438 3583 R N 0.570 121.090 120.500 0.033 0.000 2.148 3583 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 3583 R C 0.768 177.084 176.300 0.026 0.000 1.088 3583 R CA 0.312 56.430 56.100 0.030 0.000 0.985 3583 R CB -0.010 30.307 30.300 0.028 0.000 0.880 3583 R HN 0.228 nan 8.270 nan 0.000 0.451 3584 I N 2.166 122.751 120.570 0.024 0.000 2.517 3584 I HA -0.055 4.115 4.170 -0.000 0.000 0.285 3584 I C 0.000 176.128 176.117 0.018 0.000 1.106 3584 I CA 0.478 61.791 61.300 0.021 0.000 1.402 3584 I CB 0.962 38.975 38.000 0.021 0.000 1.399 3584 I HN 0.101 nan 8.210 nan 0.000 0.535 3585 D N 4.169 124.579 120.400 0.017 0.000 2.535 3585 D HA 0.146 4.786 4.640 -0.000 0.000 0.229 3585 D C -0.498 175.810 176.300 0.013 0.000 1.238 3585 D CA 0.244 54.251 54.000 0.011 0.000 0.824 3585 D CB 0.684 41.490 40.800 0.010 0.000 1.045 3585 D HN 0.466 nan 8.370 nan 0.000 0.500 3586 D N 0.475 120.886 120.400 0.018 0.000 2.931 3586 D HA 0.184 4.824 4.640 -0.000 0.000 0.215 3586 D C -1.445 174.872 176.300 0.027 0.000 1.297 3586 D CA -0.421 53.593 54.000 0.023 0.000 0.892 3586 D CB 2.064 42.876 40.800 0.020 0.000 1.642 3586 D HN -0.322 nan 8.370 nan 0.000 0.560 3587 V N 5.012 124.947 119.914 0.036 0.000 2.443 3587 V HA 0.516 4.636 4.120 -0.000 0.000 0.293 3587 V C 0.028 176.156 176.094 0.057 0.000 1.021 3587 V CA -0.568 61.758 62.300 0.042 0.000 0.848 3587 V CB 1.586 33.434 31.823 0.041 0.000 0.998 3587 V HN 0.519 nan 8.190 nan 0.000 0.424 3588 I N 4.539 125.139 120.570 0.049 0.000 2.437 3588 I HA 0.668 4.838 4.170 -0.000 0.000 0.279 3588 I C 0.223 176.370 176.117 0.050 0.000 1.028 3588 I CA -0.402 60.929 61.300 0.052 0.000 1.142 3588 I CB 1.608 39.629 38.000 0.035 0.000 1.266 3588 I HN 0.660 nan 8.210 nan 0.000 0.461 3589 A N 5.146 128.008 122.820 0.070 0.000 2.287 3589 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 3589 A C 0.298 177.910 177.584 0.048 0.000 1.220 3589 A CA -0.437 51.632 52.037 0.053 0.000 0.835 3589 A CB 0.963 19.994 19.000 0.053 0.000 1.180 3589 A HN 0.744 nan 8.150 nan 0.000 0.500 3590 A N 1.983 124.817 122.820 0.023 0.000 2.429 3590 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 3590 A C 0.615 178.200 177.584 0.002 0.000 1.088 3590 A CA 0.176 52.220 52.037 0.012 0.000 0.784 3590 A CB -0.020 18.983 19.000 0.005 0.000 1.038 3590 A HN 0.946 nan 8.150 nan 0.000 0.501 3591 E N 0.000 120.198 120.200 -0.003 0.000 2.725 3591 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 3591 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 3591 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 3591 E HN 0.000 nan 8.360 nan 0.000 0.440