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 1gw8_1_L DATA FIRST_RESID 3014 DATA SEQUENCE ALRNQQAMAA NLQARQIVLQ QSYPVIQQVE TQTFDPANRS VFDVTPANVG DATA SEQUENCE IVKGFLVKVT AAITNNHATE AVALTDFGPA NLVQRVIYYD PDNQRHTETS DATA SEQUENCE GWHLHFVNTA KQGAPFLSSM VTDSPIKYGD VMNVIDAPAT IAAGATGELT DATA SEQUENCE MYYWVPLAYS ETDLTGAVLA NVPQSKQRLK LEFANNNTAF AAVGANPLEA DATA SEQUENCE IYQGAGAADC EFEEISYTVY QSYLDQLPVG QNGYILPLID LSTLYNLENS DATA SEQUENCE AQAGLTPNVD FVVQYANLYR YLSTIAVFDN GGSFNAGTDI NYLSQRTANF DATA SEQUENCE SDTRKLDPKT WAAQTRRRIA TDFPKGVYYC DNRDKPIYTL QYGNVGFVVN DATA SEQUENCE PKTVNQNARL LMGYEYFTSR T 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 3014 A HA 0.000 nan 4.320 nan 0.000 0.244 3014 A C 0.000 177.584 177.584 0.000 0.000 1.274 3014 A CA 0.000 52.038 52.037 0.001 0.000 0.836 3014 A CB 0.000 19.001 19.000 0.001 0.000 0.831 3015 L N 0.726 121.949 121.223 0.000 0.000 2.718 3015 L HA 0.608 4.948 4.340 0.000 0.000 0.242 3015 L C 2.169 179.038 176.870 -0.002 0.000 1.203 3015 L CA 1.793 56.633 54.840 -0.001 0.000 1.011 3015 L CB -2.766 39.293 42.059 -0.001 0.000 1.250 3015 L HN 1.249 nan 8.230 nan 0.000 0.437 3016 R N 0.640 121.140 120.500 -0.001 0.000 2.119 3016 R HA -0.113 4.227 4.340 0.000 0.000 0.222 3016 R C 1.981 178.279 176.300 -0.004 0.000 1.088 3016 R CA 1.597 57.696 56.100 -0.002 0.000 0.984 3016 R CB -1.209 29.090 30.300 -0.000 0.000 0.884 3016 R HN 1.012 nan 8.270 nan 0.000 0.447 3017 N N -0.659 118.038 118.700 -0.005 0.000 2.333 3017 N HA -0.120 4.620 4.740 0.000 0.000 0.178 3017 N C 1.810 177.314 175.510 -0.011 0.000 1.018 3017 N CA 1.198 54.243 53.050 -0.009 0.000 0.882 3017 N CB -0.253 38.229 38.487 -0.009 0.000 0.984 3017 N HN 0.595 nan 8.380 nan 0.000 0.434 3018 Q N -0.040 119.755 119.800 -0.009 0.000 2.124 3018 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 3018 Q C 1.737 177.732 176.000 -0.009 0.000 0.977 3018 Q CA 1.503 57.301 55.803 -0.009 0.000 0.850 3018 Q CB -0.010 28.724 28.738 -0.006 0.000 0.901 3018 Q HN 0.620 nan 8.270 nan 0.000 0.429 3019 Q N -0.936 118.860 119.800 -0.007 0.000 2.187 3019 Q HA -0.026 4.314 4.340 0.000 0.000 0.199 3019 Q C 1.941 177.936 176.000 -0.007 0.000 0.957 3019 Q CA 0.911 56.710 55.803 -0.006 0.000 0.857 3019 Q CB 0.040 28.777 28.738 -0.003 0.000 0.929 3019 Q HN 0.372 nan 8.270 nan 0.000 0.453 3020 A N 0.835 123.649 122.820 -0.009 0.000 1.898 3020 A HA -0.153 4.167 4.320 0.000 0.000 0.216 3020 A C 2.054 179.627 177.584 -0.018 0.000 1.181 3020 A CA 1.090 53.120 52.037 -0.012 0.000 0.620 3020 A CB -0.297 18.696 19.000 -0.013 0.000 0.819 3020 A HN 0.209 nan 8.150 nan 0.000 0.442 3021 M N -0.307 119.280 119.600 -0.022 0.000 2.086 3021 M HA -0.126 4.354 4.480 0.000 0.000 0.261 3021 M C 2.531 178.817 176.300 -0.023 0.000 1.067 3021 M CA 1.682 56.965 55.300 -0.029 0.000 1.116 3021 M CB -1.464 31.118 32.600 -0.029 0.000 1.348 3021 M HN 0.490 nan 8.290 nan 0.000 0.407 3022 A N 0.084 122.894 122.820 -0.016 0.000 1.902 3022 A HA 0.006 4.326 4.320 0.000 0.000 0.217 3022 A C 2.418 179.996 177.584 -0.010 0.000 1.181 3022 A CA 2.073 54.103 52.037 -0.012 0.000 0.623 3022 A CB -0.890 18.106 19.000 -0.008 0.000 0.818 3022 A HN 0.483 nan 8.150 nan 0.000 0.443 3023 A N 0.287 123.102 122.820 -0.008 0.000 1.902 3023 A HA -0.220 4.100 4.320 0.000 0.000 0.217 3023 A C 1.963 179.543 177.584 -0.007 0.000 1.181 3023 A CA 2.135 54.169 52.037 -0.004 0.000 0.623 3023 A CB -0.796 18.203 19.000 -0.002 0.000 0.818 3023 A HN 0.651 nan 8.150 nan 0.000 0.443 3024 N N -0.289 118.403 118.700 -0.014 0.000 2.043 3024 N HA -0.170 4.570 4.740 0.000 0.000 0.193 3024 N C 1.602 177.099 175.510 -0.020 0.000 1.037 3024 N CA 1.762 54.800 53.050 -0.020 0.000 0.851 3024 N CB -0.367 38.099 38.487 -0.034 0.000 1.027 3024 N HN 0.283 nan 8.380 nan 0.000 0.422 3025 L N 1.249 122.459 121.223 -0.023 0.000 2.042 3025 L HA -0.176 4.164 4.340 0.000 0.000 0.210 3025 L C 2.347 179.210 176.870 -0.011 0.000 1.076 3025 L CA 1.859 56.687 54.840 -0.020 0.000 0.749 3025 L CB -1.204 40.843 42.059 -0.019 0.000 0.893 3025 L HN 0.432 nan 8.230 nan 0.000 0.432 3026 Q N -0.943 118.853 119.800 -0.007 0.000 2.084 3026 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 3026 Q C 2.121 178.122 176.000 0.001 0.000 0.978 3026 Q CA 1.853 57.655 55.803 -0.002 0.000 0.844 3026 Q CB -0.210 28.529 28.738 0.001 0.000 0.898 3026 Q HN 0.648 nan 8.270 nan 0.000 0.426 3027 A N 1.334 124.155 122.820 0.002 0.000 1.902 3027 A HA -0.222 4.098 4.320 0.000 0.000 0.217 3027 A C 2.139 179.724 177.584 0.002 0.000 1.181 3027 A CA 1.534 53.575 52.037 0.007 0.000 0.623 3027 A CB -0.700 18.305 19.000 0.010 0.000 0.818 3027 A HN 0.437 nan 8.150 nan 0.000 0.443 3028 R N -0.318 120.178 120.500 -0.006 0.000 2.073 3028 R HA -0.198 4.142 4.340 0.000 0.000 0.234 3028 R C 2.346 178.641 176.300 -0.007 0.000 1.134 3028 R CA 1.950 58.044 56.100 -0.009 0.000 0.952 3028 R CB -0.391 29.900 30.300 -0.016 0.000 0.850 3028 R HN 0.709 nan 8.270 nan 0.000 0.433 3029 Q N 0.084 119.881 119.800 -0.006 0.000 2.096 3029 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 3029 Q C 2.234 178.233 176.000 -0.001 0.000 0.982 3029 Q CA 1.797 57.598 55.803 -0.004 0.000 0.850 3029 Q CB -0.129 28.607 28.738 -0.003 0.000 0.901 3029 Q HN 0.456 nan 8.270 nan 0.000 0.422 3030 I N -0.180 120.392 120.570 0.003 0.000 2.252 3030 I HA -0.235 3.935 4.170 0.000 0.000 0.245 3030 I C 2.210 178.332 176.117 0.008 0.000 1.102 3030 I CA 0.689 61.994 61.300 0.009 0.000 1.385 3030 I CB -0.180 37.829 38.000 0.015 0.000 1.064 3030 I HN 0.041 nan 8.210 nan 0.000 0.414 3031 V N 1.192 121.107 119.914 0.002 0.000 2.287 3031 V HA -0.288 3.832 4.120 0.000 0.000 0.248 3031 V C 2.392 178.481 176.094 -0.008 0.000 1.053 3031 V CA 1.795 64.091 62.300 -0.006 0.000 1.027 3031 V CB -0.438 31.376 31.823 -0.015 0.000 0.646 3031 V HN 0.362 nan 8.190 nan 0.000 0.447 3032 L N -0.589 120.627 121.223 -0.011 0.000 2.083 3032 L HA -0.230 4.110 4.340 0.000 0.000 0.209 3032 L C 2.661 179.523 176.870 -0.013 0.000 1.083 3032 L CA 1.639 56.467 54.840 -0.020 0.000 0.752 3032 L CB -0.576 41.470 42.059 -0.022 0.000 0.899 3032 L HN 0.415 nan 8.230 nan 0.000 0.433 3033 Q N -0.897 118.903 119.800 -0.001 0.000 2.187 3033 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 3033 Q C 2.161 178.176 176.000 0.025 0.000 0.957 3033 Q CA 0.800 56.609 55.803 0.009 0.000 0.857 3033 Q CB 0.061 28.804 28.738 0.009 0.000 0.929 3033 Q HN 0.507 nan 8.270 nan 0.000 0.453 3034 Q N 0.459 120.275 119.800 0.025 0.000 2.204 3034 Q HA 0.037 4.377 4.340 0.000 0.000 0.198 3034 Q C 1.310 177.341 176.000 0.053 0.000 0.946 3034 Q CA 0.561 56.386 55.803 0.038 0.000 0.859 3034 Q CB 0.201 28.959 28.738 0.032 0.000 0.946 3034 Q HN 0.258 nan 8.270 nan 0.000 0.474 3035 S N -0.503 115.221 115.700 0.040 0.000 2.645 3035 S HA 0.341 4.811 4.470 0.000 0.000 0.266 3035 S C -0.644 174.019 174.600 0.104 0.000 1.258 3035 S CA -0.653 57.581 58.200 0.056 0.000 0.990 3035 S CB 0.884 64.092 63.200 0.014 0.000 0.967 3035 S HN 0.196 nan 8.310 nan 0.000 0.556 3036 Y N 1.850 122.132 120.300 -0.029 0.000 2.350 3036 Y HA 0.519 5.069 4.550 0.000 0.000 0.338 3036 Y C -2.556 173.294 175.900 -0.083 0.000 0.961 3036 Y CA -2.271 55.802 58.100 -0.046 0.000 1.100 3036 Y CB 1.948 40.386 38.460 -0.037 0.000 1.179 3036 Y HN 0.567 nan 8.280 nan 0.000 0.454 3037 P HA 0.195 nan 4.420 nan 0.000 0.271 3037 P C -1.265 175.806 177.300 -0.382 0.000 1.216 3037 P CA 0.132 62.981 63.100 -0.418 0.000 0.776 3037 P CB 1.945 33.395 31.700 -0.416 0.000 0.881 3038 V N 4.370 124.025 119.914 -0.431 0.000 2.841 3038 V HA 0.477 4.597 4.120 0.000 0.000 0.310 3038 V C -0.044 175.809 176.094 -0.402 0.000 1.090 3038 V CA -0.737 61.305 62.300 -0.430 0.000 0.930 3038 V CB 2.472 33.875 31.823 -0.701 0.000 1.014 3038 V HN 0.534 nan 8.190 nan 0.000 0.425 3039 I N 4.196 124.680 120.570 -0.144 0.000 2.478 3039 I HA 0.639 4.809 4.170 0.000 0.000 0.287 3039 I C -0.841 175.377 176.117 0.168 0.000 1.042 3039 I CA -0.096 61.221 61.300 0.029 0.000 1.067 3039 I CB 1.588 39.608 38.000 0.034 0.000 1.233 3039 I HN 0.933 nan 8.210 nan 0.000 0.431 3040 Q N 5.767 125.757 119.800 0.318 0.000 2.379 3040 Q HA 0.386 4.726 4.340 0.000 0.000 0.278 3040 Q C -1.370 174.856 176.000 0.376 0.000 1.068 3040 Q CA -0.940 55.081 55.803 0.363 0.000 0.816 3040 Q CB 1.931 30.851 28.738 0.304 0.000 1.387 3040 Q HN 0.672 nan 8.270 nan 0.000 0.413 3041 Q N 1.201 121.148 119.800 0.245 0.000 2.330 3041 Q HA 0.105 4.445 4.340 0.000 0.000 0.279 3041 Q C -0.557 175.446 176.000 0.005 0.000 1.024 3041 Q CA 0.133 55.851 55.803 -0.142 0.000 0.900 3041 Q CB 1.084 29.668 28.738 -0.256 0.000 1.221 3041 Q HN 0.707 nan 8.270 nan 0.000 0.396 3042 V N 2.970 122.881 119.914 -0.004 0.000 2.908 3042 V HA 0.191 4.311 4.120 0.000 0.000 0.240 3042 V C 0.187 176.300 176.094 0.031 0.000 1.117 3042 V CA 0.961 63.299 62.300 0.064 0.000 1.133 3042 V CB 0.423 32.324 31.823 0.130 0.000 0.857 3042 V HN 0.926 nan 8.190 nan 0.000 0.478 3043 E N -1.072 119.134 120.200 0.009 0.000 2.388 3043 E HA 0.407 4.757 4.350 0.000 0.000 0.282 3043 E C -1.653 174.925 176.600 -0.037 0.000 1.026 3043 E CA -0.345 56.066 56.400 0.019 0.000 0.820 3043 E CB 2.219 31.984 29.700 0.109 0.000 1.226 3043 E HN 0.158 nan 8.360 nan 0.000 0.432 3044 T N 2.557 117.021 114.554 -0.150 0.000 2.912 3044 T HA 0.496 4.846 4.350 0.000 0.000 0.299 3044 T C -1.295 173.124 174.700 -0.468 0.000 1.052 3044 T CA -0.626 61.282 62.100 -0.319 0.000 0.996 3044 T CB 1.748 70.492 68.868 -0.206 0.000 1.070 3044 T HN 0.458 nan 8.240 nan 0.000 0.465 3045 Q N 0.784 120.091 119.800 -0.821 0.000 2.353 3045 Q HA 0.581 4.921 4.340 0.000 0.000 0.275 3045 Q C -1.664 174.059 176.000 -0.462 0.000 1.029 3045 Q CA -0.603 54.836 55.803 -0.607 0.000 0.848 3045 Q CB 2.141 30.472 28.738 -0.678 0.000 1.390 3045 Q HN 0.646 nan 8.270 nan 0.000 0.401 3046 T N 3.615 118.050 114.554 -0.199 0.000 2.824 3046 T HA 0.772 5.122 4.350 0.000 0.000 0.282 3046 T C -1.221 173.478 174.700 -0.001 0.000 0.993 3046 T CA -0.370 61.624 62.100 -0.176 0.000 0.967 3046 T CB 0.358 69.131 68.868 -0.158 0.000 0.960 3046 T HN 0.457 nan 8.240 nan 0.000 0.441 3047 F N -0.202 119.639 119.950 -0.181 0.000 2.779 3047 F HA 0.734 5.261 4.527 0.000 0.000 0.316 3047 F C -1.591 174.175 175.800 -0.057 0.000 1.164 3047 F CA -1.319 56.640 58.000 -0.068 0.000 0.924 3047 F CB 1.145 40.169 39.000 0.039 0.000 1.348 3047 F HN 0.300 nan 8.300 nan 0.000 0.467 3048 D N 2.270 122.751 120.400 0.134 0.000 2.349 3048 D HA 0.366 5.006 4.640 0.000 0.000 0.232 3048 D C -1.893 174.561 176.300 0.256 0.000 1.071 3048 D CA -2.616 51.420 54.000 0.059 0.000 0.832 3048 D CB 2.249 43.103 40.800 0.090 0.000 1.086 3048 D HN 0.323 nan 8.370 nan 0.000 0.504 3049 P HA -0.077 nan 4.420 nan 0.000 0.228 3049 P C 0.881 178.303 177.300 0.203 0.000 1.151 3049 P CA 0.416 63.681 63.100 0.274 0.000 0.770 3049 P CB 0.263 31.981 31.700 0.030 0.000 0.786 3050 A N -0.090 122.838 122.820 0.179 0.000 2.066 3050 A HA -0.111 4.209 4.320 0.000 0.000 0.218 3050 A C 2.068 179.724 177.584 0.121 0.000 1.157 3050 A CA 1.140 53.267 52.037 0.151 0.000 0.670 3050 A CB -0.739 18.346 19.000 0.142 0.000 0.804 3050 A HN 0.144 nan 8.150 nan 0.000 0.453 3051 N N -1.018 117.765 118.700 0.138 0.000 2.349 3051 N HA 0.081 4.821 4.740 0.000 0.000 0.180 3051 N C 0.754 176.304 175.510 0.066 0.000 1.024 3051 N CA 0.656 53.768 53.050 0.102 0.000 0.869 3051 N CB 0.113 38.672 38.487 0.119 0.000 1.022 3051 N HN 0.518 nan 8.380 nan 0.000 0.433 3052 R N -0.171 120.389 120.500 0.101 0.000 2.561 3052 R HA 0.230 4.570 4.340 0.000 0.000 0.266 3052 R C -0.686 175.613 176.300 -0.002 0.000 1.091 3052 R CA -0.045 56.021 56.100 -0.058 0.000 0.927 3052 R CB 0.887 31.046 30.300 -0.236 0.000 1.240 3052 R HN 0.098 nan 8.270 nan 0.000 0.449 3053 S N 1.078 116.749 115.700 -0.048 0.000 2.733 3053 S HA 0.209 4.679 4.470 0.000 0.000 0.247 3053 S C -0.234 174.454 174.600 0.147 0.000 1.043 3053 S CA -0.235 58.066 58.200 0.168 0.000 1.066 3053 S CB 0.827 64.151 63.200 0.207 0.000 1.045 3053 S HN 0.164 nan 8.310 nan 0.000 0.586 3054 V N 2.706 122.492 119.914 -0.212 0.000 2.417 3054 V HA 0.643 4.763 4.120 0.000 0.000 0.291 3054 V C -1.339 174.449 176.094 -0.510 0.000 1.024 3054 V CA -0.553 61.635 62.300 -0.186 0.000 0.861 3054 V CB 0.966 32.689 31.823 -0.167 0.000 0.985 3054 V HN 0.405 nan 8.190 nan 0.000 0.436 3055 F N 2.088 121.976 119.950 -0.103 0.000 2.556 3055 F HA 0.474 5.001 4.527 0.000 0.000 0.314 3055 F C -0.069 175.651 175.800 -0.133 0.000 1.106 3055 F CA -0.833 57.104 58.000 -0.104 0.000 0.911 3055 F CB 1.919 40.884 39.000 -0.059 0.000 1.190 3055 F HN 0.386 nan 8.300 nan 0.000 0.448 3056 D N 3.171 123.591 120.400 0.034 0.000 2.427 3056 D HA 0.361 5.001 4.640 0.000 0.000 0.226 3056 D C -0.968 175.333 176.300 0.002 0.000 1.076 3056 D CA -0.069 53.915 54.000 -0.027 0.000 0.849 3056 D CB 1.430 42.191 40.800 -0.065 0.000 1.052 3056 D HN 0.198 nan 8.370 nan 0.000 0.515 3057 V N 3.303 123.192 119.914 -0.042 0.000 2.546 3057 V HA 0.296 4.416 4.120 0.000 0.000 0.284 3057 V C 0.794 176.848 176.094 -0.067 0.000 1.050 3057 V CA -0.337 61.944 62.300 -0.032 0.000 0.981 3057 V CB 1.672 33.439 31.823 -0.093 0.000 0.990 3057 V HN 0.504 nan 8.190 nan 0.000 0.474 3058 T N 6.726 121.265 114.554 -0.025 0.000 2.929 3058 T HA 0.359 4.709 4.350 0.000 0.000 0.331 3058 T C -2.369 172.334 174.700 0.006 0.000 1.120 3058 T CA -0.901 61.184 62.100 -0.026 0.000 0.973 3058 T CB 0.985 69.846 68.868 -0.013 0.000 1.036 3058 T HN 0.481 nan 8.240 nan 0.000 0.502 3059 P HA 0.310 nan 4.420 nan 0.000 0.269 3059 P C -0.534 176.823 177.300 0.095 0.000 1.215 3059 P CA -0.434 62.744 63.100 0.129 0.000 0.780 3059 P CB 0.459 32.330 31.700 0.285 0.000 0.898 3060 A N 2.297 125.168 122.820 0.085 0.000 2.388 3060 A HA 0.221 4.541 4.320 0.000 0.000 0.257 3060 A C 0.144 177.709 177.584 -0.032 0.000 1.095 3060 A CA -0.275 51.767 52.037 0.009 0.000 0.791 3060 A CB -0.288 18.697 19.000 -0.025 0.000 1.029 3060 A HN 0.465 nan 8.150 nan 0.000 0.489 3061 N N 1.206 119.884 118.700 -0.037 0.000 2.602 3061 N HA 0.427 5.167 4.740 0.000 0.000 0.238 3061 N C -1.246 174.206 175.510 -0.098 0.000 1.084 3061 N CA 0.173 53.198 53.050 -0.041 0.000 0.952 3061 N CB 0.897 39.380 38.487 -0.007 0.000 1.244 3061 N HN 0.307 nan 8.380 nan 0.000 0.512 3062 V N 0.319 120.114 119.914 -0.199 0.000 2.711 3062 V HA 0.624 4.744 4.120 0.000 0.000 0.304 3062 V C 0.828 176.782 176.094 -0.234 0.000 1.097 3062 V CA -0.657 61.487 62.300 -0.260 0.000 0.906 3062 V CB 1.330 32.865 31.823 -0.480 0.000 1.015 3062 V HN 0.782 nan 8.190 nan 0.000 0.427 3063 G N 4.905 113.655 108.800 -0.083 0.000 2.582 3063 G HA2 -0.265 3.695 3.960 0.000 0.000 0.300 3063 G HA3 -0.265 3.695 3.960 0.000 0.000 0.300 3063 G C -0.121 174.770 174.900 -0.015 0.000 1.300 3063 G CA 0.481 45.562 45.100 -0.031 0.000 0.959 3063 G HN 0.842 nan 8.290 nan 0.000 0.548 3064 I N 0.653 121.237 120.570 0.023 0.000 2.325 3064 I HA 0.353 4.523 4.170 0.000 0.000 0.291 3064 I C 0.458 176.610 176.117 0.059 0.000 1.019 3064 I CA -0.636 60.678 61.300 0.023 0.000 1.302 3064 I CB 1.457 39.461 38.000 0.007 0.000 1.401 3064 I HN 0.301 nan 8.210 nan 0.000 0.485 3065 V N 7.602 127.524 119.914 0.013 0.000 2.432 3065 V HA 0.171 4.291 4.120 0.000 0.000 0.275 3065 V C 0.809 176.840 176.094 -0.105 0.000 1.043 3065 V CA -0.303 61.968 62.300 -0.047 0.000 0.925 3065 V CB 1.230 32.987 31.823 -0.110 0.000 0.985 3065 V HN 0.743 nan 8.190 nan 0.000 0.466 3066 K N 2.792 123.129 120.400 -0.105 0.000 2.308 3066 K HA 0.484 4.804 4.320 0.000 0.000 0.197 3066 K C 0.802 177.300 176.600 -0.170 0.000 1.049 3066 K CA 0.707 56.972 56.287 -0.037 0.000 0.991 3066 K CB 0.665 33.230 32.500 0.109 0.000 0.836 3066 K HN 0.934 nan 8.250 nan 0.000 0.500 3067 G N -0.172 108.299 108.800 -0.549 0.000 2.315 3067 G HA2 0.343 4.303 3.960 0.000 0.000 0.294 3067 G HA3 0.343 4.303 3.960 0.000 0.000 0.294 3067 G C -1.951 172.069 174.900 -1.467 0.000 1.300 3067 G CA -1.061 43.357 45.100 -1.136 0.000 0.843 3067 G HN -0.012 nan 8.290 nan 0.000 0.527 3068 F N -0.519 118.844 119.950 -0.978 0.000 2.547 3068 F HA 0.673 5.200 4.527 0.000 0.000 0.316 3068 F C -0.223 175.468 175.800 -0.182 0.000 1.121 3068 F CA -0.849 56.922 58.000 -0.382 0.000 0.911 3068 F CB 2.355 41.229 39.000 -0.210 0.000 1.179 3068 F HN 0.422 nan 8.300 nan 0.000 0.443 3069 L N 4.363 125.858 121.223 0.453 0.000 2.272 3069 L HA 0.719 5.059 4.340 0.000 0.000 0.289 3069 L C -1.050 176.158 176.870 0.563 0.000 1.032 3069 L CA -0.516 54.716 54.840 0.653 0.000 0.810 3069 L CB 1.146 43.625 42.059 0.700 0.000 1.205 3069 L HN 0.409 nan 8.230 nan 0.000 0.422 3070 V N 5.642 125.848 119.914 0.487 0.000 2.357 3070 V HA 0.391 4.511 4.120 0.000 0.000 0.284 3070 V C 0.059 176.315 176.094 0.270 0.000 1.018 3070 V CA -0.821 61.699 62.300 0.366 0.000 0.841 3070 V CB 1.167 33.141 31.823 0.252 0.000 0.991 3070 V HN 0.722 nan 8.190 nan 0.000 0.437 3071 K N 4.290 124.760 120.400 0.118 0.000 2.201 3071 K HA 0.676 4.996 4.320 0.000 0.000 0.278 3071 K C -1.327 175.241 176.600 -0.055 0.000 1.027 3071 K CA -0.343 55.726 56.287 -0.363 0.000 0.909 3071 K CB 1.484 33.837 32.500 -0.244 0.000 1.062 3071 K HN 0.498 nan 8.250 nan 0.000 0.465 3072 V N 3.663 123.529 119.914 -0.080 0.000 2.577 3072 V HA 0.334 4.454 4.120 0.000 0.000 0.303 3072 V C -0.289 175.821 176.094 0.027 0.000 1.042 3072 V CA -0.828 61.537 62.300 0.108 0.000 0.872 3072 V CB 1.644 33.661 31.823 0.323 0.000 0.998 3072 V HN 1.022 nan 8.190 nan 0.000 0.423 3073 T N 1.373 115.928 114.554 0.003 0.000 2.924 3073 T HA 0.977 5.327 4.350 0.000 0.000 0.291 3073 T C -0.466 174.233 174.700 -0.003 0.000 1.045 3073 T CA -0.448 61.657 62.100 0.007 0.000 1.015 3073 T CB 2.365 71.227 68.868 -0.010 0.000 1.103 3073 T HN 1.448 nan 8.240 nan 0.000 0.496 3074 A N 0.369 123.223 122.820 0.057 0.000 2.612 3074 A HA 0.899 5.219 4.320 0.000 0.000 0.293 3074 A C -1.105 176.557 177.584 0.130 0.000 1.075 3074 A CA -0.733 51.366 52.037 0.103 0.000 0.680 3074 A CB 1.102 20.268 19.000 0.277 0.000 1.279 3074 A HN 1.731 nan 8.150 nan 0.000 0.411 3075 A N 0.988 123.893 122.820 0.142 0.000 2.330 3075 A HA 0.799 5.119 4.320 0.000 0.000 0.313 3075 A C -0.908 176.751 177.584 0.124 0.000 1.124 3075 A CA -0.295 51.801 52.037 0.097 0.000 0.774 3075 A CB 0.519 19.547 19.000 0.045 0.000 1.198 3075 A HN 0.797 nan 8.150 nan 0.000 0.465 3076 I N 1.587 122.179 120.570 0.037 0.000 2.545 3076 I HA 0.427 4.597 4.170 0.000 0.000 0.292 3076 I C -0.330 175.708 176.117 -0.131 0.000 1.040 3076 I CA -0.291 60.974 61.300 -0.059 0.000 1.068 3076 I CB 2.733 40.671 38.000 -0.104 0.000 1.251 3076 I HN 0.578 nan 8.210 nan 0.000 0.424 3077 T N 4.000 118.456 114.554 -0.165 0.000 2.807 3077 T HA 0.274 4.624 4.350 0.000 0.000 0.279 3077 T C -0.397 174.149 174.700 -0.257 0.000 0.993 3077 T CA -0.602 61.395 62.100 -0.171 0.000 0.970 3077 T CB 1.152 69.959 68.868 -0.101 0.000 0.950 3077 T HN 0.417 nan 8.240 nan 0.000 0.441 3078 N N 2.757 121.317 118.700 -0.234 0.000 2.485 3078 N HA 0.189 4.929 4.740 0.000 0.000 0.243 3078 N C -0.015 175.414 175.510 -0.135 0.000 0.987 3078 N CA -0.518 52.390 53.050 -0.237 0.000 0.940 3078 N CB 0.407 38.759 38.487 -0.224 0.000 1.122 3078 N HN 0.368 nan 8.380 nan 0.000 0.509 3079 N N 1.508 120.136 118.700 -0.119 0.000 2.276 3079 N HA -0.039 4.701 4.740 0.000 0.000 0.212 3079 N C -0.320 175.160 175.510 -0.050 0.000 1.127 3079 N CA -0.112 52.892 53.050 -0.076 0.000 0.834 3079 N CB -0.187 38.252 38.487 -0.079 0.000 1.014 3079 N HN 0.654 nan 8.380 nan 0.000 0.491 3080 H N 0.321 119.325 119.070 -0.109 0.000 2.871 3080 H HA 0.196 4.752 4.556 0.000 0.000 0.355 3080 H C 1.325 176.615 175.328 -0.063 0.000 1.092 3080 H CA 0.390 56.388 56.048 -0.082 0.000 1.420 3080 H CB 1.094 30.806 29.762 -0.084 0.000 1.400 3080 H HN 0.131 nan 8.280 nan 0.000 0.604 3081 A N 2.572 125.185 122.820 -0.345 0.000 1.969 3081 A HA -0.125 4.195 4.320 0.000 0.000 0.218 3081 A C 1.868 179.466 177.584 0.024 0.000 1.169 3081 A CA 2.166 54.116 52.037 -0.146 0.000 0.635 3081 A CB -0.455 18.424 19.000 -0.203 0.000 0.810 3081 A HN 0.889 nan 8.150 nan 0.000 0.445 3082 T N -5.195 109.501 114.554 0.238 0.000 3.074 3082 T HA 0.178 4.528 4.350 0.000 0.000 0.258 3082 T C 0.160 174.940 174.700 0.133 0.000 0.891 3082 T CA -0.260 61.941 62.100 0.169 0.000 0.867 3082 T CB 0.118 69.056 68.868 0.116 0.000 1.261 3082 T HN 0.199 nan 8.240 nan 0.000 0.537 3083 E N 1.740 122.026 120.200 0.142 0.000 2.242 3083 E HA 0.744 5.094 4.350 0.000 0.000 0.275 3083 E C -0.187 176.325 176.600 -0.146 0.000 1.002 3083 E CA -0.421 55.889 56.400 -0.150 0.000 0.841 3083 E CB 1.937 31.365 29.700 -0.453 0.000 1.109 3083 E HN 0.538 nan 8.360 nan 0.000 0.394 3084 A N 1.685 124.441 122.820 -0.107 0.000 2.239 3084 A HA 0.684 5.004 4.320 0.000 0.000 0.303 3084 A C -0.112 177.419 177.584 -0.089 0.000 1.114 3084 A CA -0.545 51.440 52.037 -0.087 0.000 0.871 3084 A CB 0.742 19.714 19.000 -0.047 0.000 1.201 3084 A HN 0.400 nan 8.150 nan 0.000 0.506 3085 V N -4.014 115.864 119.914 -0.059 0.000 3.007 3085 V HA 0.936 5.056 4.120 0.000 0.000 0.311 3085 V C -0.224 175.955 176.094 0.142 0.000 1.120 3085 V CA -0.332 61.982 62.300 0.024 0.000 0.980 3085 V CB 1.098 32.932 31.823 0.019 0.000 1.033 3085 V HN 1.856 nan 8.190 nan 0.000 0.429 3086 A N 2.768 125.725 122.820 0.228 0.000 2.413 3086 A HA 0.856 5.176 4.320 0.000 0.000 0.307 3086 A C -0.549 177.159 177.584 0.207 0.000 1.087 3086 A CA -0.979 51.202 52.037 0.240 0.000 0.750 3086 A CB 1.457 20.517 19.000 0.099 0.000 1.296 3086 A HN 1.082 nan 8.150 nan 0.000 0.423 3087 L N 1.839 123.081 121.223 0.031 0.000 2.514 3087 L HA 0.151 4.491 4.340 0.000 0.000 0.280 3087 L C 1.488 178.262 176.870 -0.160 0.000 1.223 3087 L CA 0.102 54.761 54.840 -0.301 0.000 0.864 3087 L CB 0.507 42.420 42.059 -0.243 0.000 1.118 3087 L HN 0.997 nan 8.230 nan 0.000 0.494 3088 T N -1.991 112.439 114.554 -0.206 0.000 2.770 3088 T HA 0.089 4.439 4.350 0.000 0.000 0.281 3088 T C 0.743 175.361 174.700 -0.137 0.000 0.981 3088 T CA -0.791 61.204 62.100 -0.175 0.000 0.955 3088 T CB 0.790 69.519 68.868 -0.230 0.000 1.060 3088 T HN 0.504 nan 8.240 nan 0.000 0.531 3089 D N -0.242 120.050 120.400 -0.180 0.000 2.178 3089 D HA -0.011 4.629 4.640 0.000 0.000 0.201 3089 D C 1.518 177.974 176.300 0.260 0.000 0.980 3089 D CA 1.042 55.031 54.000 -0.018 0.000 0.842 3089 D CB -0.221 40.523 40.800 -0.093 0.000 0.948 3089 D HN 0.469 nan 8.370 nan 0.000 0.472 3090 F N 0.188 120.075 119.950 -0.104 0.000 2.473 3090 F HA 0.242 4.769 4.527 0.000 0.000 0.294 3090 F C 2.201 177.953 175.800 -0.079 0.000 1.103 3090 F CA 0.431 58.407 58.000 -0.041 0.000 1.442 3090 F CB -0.942 38.010 39.000 -0.080 0.000 1.097 3090 F HN -0.019 nan 8.300 nan 0.000 0.547 3091 G N 2.642 111.468 108.800 0.043 0.000 2.685 3091 G HA2 -0.341 3.619 3.960 0.000 0.000 0.329 3091 G HA3 -0.341 3.619 3.960 0.000 0.000 0.329 3091 G C -1.110 173.763 174.900 -0.045 0.000 1.271 3091 G CA 0.577 45.618 45.100 -0.098 0.000 1.003 3091 G HN 0.210 nan 8.290 nan 0.000 0.549 3092 P HA 0.044 nan 4.420 nan 0.000 0.225 3092 P C 1.663 178.974 177.300 0.018 0.000 1.148 3092 P CA 2.320 65.426 63.100 0.010 0.000 0.779 3092 P CB -0.379 31.319 31.700 -0.002 0.000 0.780 3093 A N 0.181 122.970 122.820 -0.052 0.000 2.121 3093 A HA -0.115 4.205 4.320 0.000 0.000 0.218 3093 A C 1.878 179.594 177.584 0.221 0.000 1.154 3093 A CA 1.110 53.115 52.037 -0.054 0.000 0.679 3093 A CB -1.034 17.828 19.000 -0.229 0.000 0.795 3093 A HN 0.128 nan 8.150 nan 0.000 0.458 3094 N N -0.364 118.463 118.700 0.213 0.000 2.314 3094 N HA 0.174 4.914 4.740 0.000 0.000 0.200 3094 N C 1.104 176.755 175.510 0.235 0.000 1.135 3094 N CA 0.099 53.296 53.050 0.246 0.000 0.835 3094 N CB 0.029 38.645 38.487 0.215 0.000 0.989 3094 N HN 0.482 nan 8.380 nan 0.000 0.478 3095 L N -0.297 121.097 121.223 0.285 0.000 2.141 3095 L HA -0.012 4.328 4.340 0.000 0.000 0.209 3095 L C 0.328 177.375 176.870 0.295 0.000 1.094 3095 L CA 0.805 55.844 54.840 0.332 0.000 0.763 3095 L CB 0.192 42.469 42.059 0.363 0.000 0.908 3095 L HN -0.116 nan 8.230 nan 0.000 0.437 3096 V N -0.001 120.010 119.914 0.161 0.000 2.370 3096 V HA 0.121 4.241 4.120 0.000 0.000 0.283 3096 V C 0.557 176.557 176.094 -0.157 0.000 1.023 3096 V CA -0.526 61.645 62.300 -0.216 0.000 0.857 3096 V CB 1.678 33.068 31.823 -0.722 0.000 0.985 3096 V HN 0.183 nan 8.190 nan 0.000 0.443 3097 Q N 3.569 123.289 119.800 -0.134 0.000 2.123 3097 Q HA 0.200 4.540 4.340 0.000 0.000 0.196 3097 Q C 0.453 176.361 176.000 -0.153 0.000 0.958 3097 Q CA 1.020 56.786 55.803 -0.061 0.000 0.841 3097 Q CB 0.440 29.178 28.738 0.000 0.000 0.915 3097 Q HN 0.613 nan 8.270 nan 0.000 0.455 3098 R N -0.759 119.600 120.500 -0.236 0.000 2.707 3098 R HA 0.616 4.956 4.340 0.000 0.000 0.272 3098 R C -1.398 174.710 176.300 -0.320 0.000 1.011 3098 R CA -0.483 55.468 56.100 -0.248 0.000 0.893 3098 R CB 2.374 32.578 30.300 -0.160 0.000 1.233 3098 R HN -0.181 nan 8.270 nan 0.000 0.464 3099 V N 3.213 122.947 119.914 -0.301 0.000 2.686 3099 V HA 0.578 4.698 4.120 0.000 0.000 0.306 3099 V C -1.028 174.934 176.094 -0.221 0.000 1.065 3099 V CA -0.742 61.376 62.300 -0.303 0.000 0.894 3099 V CB 2.086 33.696 31.823 -0.354 0.000 1.004 3099 V HN 0.534 nan 8.190 nan 0.000 0.424 3100 I N 4.673 125.133 120.570 -0.184 0.000 2.569 3100 I HA 0.491 4.662 4.170 0.000 0.000 0.290 3100 I C -1.166 174.867 176.117 -0.139 0.000 1.088 3100 I CA -0.522 60.674 61.300 -0.174 0.000 1.047 3100 I CB 1.977 39.889 38.000 -0.147 0.000 1.237 3100 I HN 0.638 nan 8.210 nan 0.000 0.421 3101 Y N 6.093 126.208 120.300 -0.307 0.000 2.393 3101 Y HA 0.715 5.265 4.550 0.000 0.000 0.341 3101 Y C -1.734 173.993 175.900 -0.287 0.000 0.988 3101 Y CA -0.850 57.108 58.100 -0.237 0.000 1.078 3101 Y CB 1.352 39.682 38.460 -0.216 0.000 1.203 3101 Y HN 0.464 nan 8.280 nan 0.000 0.453 3102 Y N 4.126 123.869 120.300 -0.929 0.000 2.425 3102 Y HA 0.305 4.855 4.550 0.000 0.000 0.344 3102 Y C -0.250 175.084 175.900 -0.944 0.000 0.969 3102 Y CA -1.179 56.560 58.100 -0.602 0.000 1.052 3102 Y CB 1.313 39.580 38.460 -0.320 0.000 1.215 3102 Y HN 0.716 nan 8.280 nan 0.000 0.451 3103 D N 2.277 122.528 120.400 -0.249 0.000 2.478 3103 D HA 0.252 4.892 4.640 0.000 0.000 0.269 3103 D C -2.193 174.099 176.300 -0.013 0.000 1.232 3103 D CA -2.226 51.725 54.000 -0.082 0.000 1.059 3103 D CB 0.241 41.177 40.800 0.228 0.000 1.104 3103 D HN 0.164 nan 8.370 nan 0.000 0.566 3104 P HA -0.071 nan 4.420 nan 0.000 0.221 3104 P C 0.076 177.393 177.300 0.029 0.000 1.145 3104 P CA 1.064 64.180 63.100 0.026 0.000 0.795 3104 P CB 0.097 31.824 31.700 0.046 0.000 0.775 3105 D N -1.991 118.444 120.400 0.059 0.000 2.328 3105 D HA 0.034 4.674 4.640 0.000 0.000 0.221 3105 D C 0.387 176.719 176.300 0.055 0.000 1.072 3105 D CA 0.099 54.132 54.000 0.054 0.000 0.850 3105 D CB -0.665 40.177 40.800 0.070 0.000 0.922 3105 D HN 0.005 nan 8.370 nan 0.000 0.516 3106 N N 1.099 119.831 118.700 0.054 0.000 2.741 3106 N HA -0.229 4.511 4.740 0.000 0.000 0.250 3106 N C -0.322 175.304 175.510 0.194 0.000 1.115 3106 N CA 0.454 53.550 53.050 0.077 0.000 0.724 3106 N CB -0.909 37.571 38.487 -0.011 0.000 1.090 3106 N HN 0.165 nan 8.380 nan 0.000 0.558 3107 Q N 1.048 120.958 119.800 0.184 0.000 2.279 3107 Q HA 0.299 4.639 4.340 0.000 0.000 0.256 3107 Q C -0.123 176.006 176.000 0.215 0.000 0.937 3107 Q CA -0.284 55.622 55.803 0.172 0.000 0.933 3107 Q CB 0.749 29.564 28.738 0.127 0.000 1.189 3107 Q HN 0.300 nan 8.270 nan 0.000 0.417 3108 R N 3.957 124.507 120.500 0.083 0.000 2.438 3108 R HA 0.190 4.530 4.340 0.000 0.000 0.287 3108 R C -0.088 176.216 176.300 0.006 0.000 1.077 3108 R CA 0.067 56.075 56.100 -0.154 0.000 1.034 3108 R CB 0.422 30.537 30.300 -0.309 0.000 0.993 3108 R HN 0.884 nan 8.270 nan 0.000 0.459 3109 H N 0.907 119.917 119.070 -0.100 0.000 4.661 3109 H HA 0.147 4.703 4.556 0.000 0.000 0.141 3109 H C 0.060 175.294 175.328 -0.156 0.000 1.436 3109 H CA -0.458 55.559 56.048 -0.052 0.000 1.052 3109 H CB 0.141 29.948 29.762 0.075 0.000 1.383 3109 H HN 0.435 nan 8.280 nan 0.000 0.422 3110 T N 1.379 115.924 114.554 -0.014 0.000 2.940 3110 T HA 0.087 4.437 4.350 0.000 0.000 0.309 3110 T C 0.086 174.700 174.700 -0.144 0.000 1.056 3110 T CA 0.523 62.532 62.100 -0.152 0.000 1.137 3110 T CB 0.314 69.052 68.868 -0.217 0.000 0.976 3110 T HN 0.419 nan 8.240 nan 0.000 0.547 3111 E N 1.776 121.895 120.200 -0.135 0.000 2.542 3111 E HA 0.439 4.789 4.350 0.000 0.000 0.298 3111 E C -0.868 175.671 176.600 -0.101 0.000 0.980 3111 E CA -0.493 55.830 56.400 -0.129 0.000 0.792 3111 E CB 1.034 30.667 29.700 -0.110 0.000 1.463 3111 E HN 0.584 nan 8.360 nan 0.000 0.389 3112 T N 1.161 115.626 114.554 -0.147 0.000 2.665 3112 T HA 0.470 4.820 4.350 0.000 0.000 0.303 3112 T C -0.993 173.551 174.700 -0.261 0.000 1.334 3112 T CA -0.159 61.847 62.100 -0.157 0.000 1.011 3112 T CB 1.011 69.841 68.868 -0.063 0.000 1.573 3112 T HN 0.458 nan 8.240 nan 0.000 0.492 3113 S N 0.012 115.475 115.700 -0.396 0.000 2.617 3113 S HA 0.486 4.956 4.470 0.000 0.000 0.269 3113 S C 1.637 175.942 174.600 -0.492 0.000 1.292 3113 S CA 0.044 57.937 58.200 -0.512 0.000 1.010 3113 S CB 0.881 63.517 63.200 -0.939 0.000 0.944 3113 S HN 1.079 nan 8.310 nan 0.000 0.536 3114 G N 1.218 109.806 108.800 -0.353 0.000 2.440 3114 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 3114 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 3114 G C 1.325 176.207 174.900 -0.030 0.000 1.154 3114 G CA 0.806 45.766 45.100 -0.235 0.000 0.767 3114 G HN 0.960 nan 8.290 nan 0.000 0.552 3115 W N 0.200 121.457 121.300 -0.072 0.000 2.388 3115 W HA -0.046 4.614 4.660 0.000 0.000 0.294 3115 W C 1.801 178.014 176.519 -0.509 0.000 1.212 3115 W CA 0.885 57.993 57.345 -0.396 0.000 1.271 3115 W CB -1.086 28.102 29.460 -0.453 0.000 1.126 3115 W HN 0.425 nan 8.180 nan 0.000 0.535 3116 H N 1.165 119.804 119.070 -0.719 0.000 2.357 3116 H HA -0.173 4.383 4.556 0.000 0.000 0.301 3116 H C 2.360 177.558 175.328 -0.217 0.000 1.082 3116 H CA 1.741 57.517 56.048 -0.453 0.000 1.342 3116 H CB -0.071 29.224 29.762 -0.778 0.000 1.389 3116 H HN 0.117 nan 8.280 nan 0.000 0.511 3117 L N 0.969 121.957 121.223 -0.391 0.000 2.042 3117 L HA -0.196 4.144 4.340 0.000 0.000 0.210 3117 L C 2.554 179.321 176.870 -0.171 0.000 1.076 3117 L CA 2.369 57.018 54.840 -0.318 0.000 0.749 3117 L CB -1.066 40.872 42.059 -0.203 0.000 0.893 3117 L HN 0.360 nan 8.230 nan 0.000 0.432 3118 H N -1.011 117.973 119.070 -0.144 0.000 2.353 3118 H HA -0.186 4.370 4.556 0.000 0.000 0.300 3118 H C 1.915 177.216 175.328 -0.046 0.000 1.090 3118 H CA 2.225 58.182 56.048 -0.152 0.000 1.327 3118 H CB -0.563 29.081 29.762 -0.197 0.000 1.383 3118 H HN 0.469 nan 8.280 nan 0.000 0.508 3119 F N -0.759 119.072 119.950 -0.198 0.000 2.216 3119 F HA -0.157 4.370 4.527 0.000 0.000 0.300 3119 F C 2.523 178.250 175.800 -0.121 0.000 1.085 3119 F CA 0.551 58.481 58.000 -0.116 0.000 1.326 3119 F CB -0.035 38.939 39.000 -0.044 0.000 1.027 3119 F HN 0.085 nan 8.300 nan 0.000 0.497 3120 V N 0.259 120.162 119.914 -0.018 0.000 2.453 3120 V HA -0.284 3.836 4.120 0.000 0.000 0.247 3120 V C 1.645 177.679 176.094 -0.100 0.000 1.048 3120 V CA 1.958 64.231 62.300 -0.044 0.000 1.049 3120 V CB -0.780 30.956 31.823 -0.145 0.000 0.672 3120 V HN 0.376 nan 8.190 nan 0.000 0.457 3121 N N -0.262 118.287 118.700 -0.252 0.000 2.104 3121 N HA -0.189 4.551 4.740 0.000 0.000 0.190 3121 N C 1.833 177.202 175.510 -0.236 0.000 1.024 3121 N CA 1.819 54.593 53.050 -0.460 0.000 0.853 3121 N CB -0.213 37.571 38.487 -1.173 0.000 1.008 3121 N HN 0.414 nan 8.380 nan 0.000 0.424 3122 T N 0.564 115.016 114.554 -0.171 0.000 2.708 3122 T HA -0.090 4.260 4.350 0.000 0.000 0.266 3122 T C 2.061 176.733 174.700 -0.047 0.000 1.037 3122 T CA 1.189 63.267 62.100 -0.037 0.000 1.146 3122 T CB -0.326 68.501 68.868 -0.069 0.000 0.865 3122 T HN 0.333 nan 8.240 nan 0.000 0.435 3123 A N 1.916 124.715 122.820 -0.035 0.000 1.908 3123 A HA -0.145 4.175 4.320 0.000 0.000 0.218 3123 A C 2.264 179.841 177.584 -0.012 0.000 1.181 3123 A CA 1.366 53.347 52.037 -0.093 0.000 0.627 3123 A CB -0.324 18.564 19.000 -0.187 0.000 0.818 3123 A HN 0.302 nan 8.150 nan 0.000 0.445 3124 K N -0.584 119.813 120.400 -0.005 0.000 2.217 3124 K HA -0.139 4.181 4.320 0.000 0.000 0.202 3124 K C 2.119 178.703 176.600 -0.027 0.000 1.051 3124 K CA 1.407 57.681 56.287 -0.023 0.000 0.952 3124 K CB -0.200 32.259 32.500 -0.068 0.000 0.736 3124 K HN 0.772 nan 8.250 nan 0.000 0.453 3125 Q N -0.005 119.797 119.800 0.004 0.000 2.187 3125 Q HA -0.068 4.272 4.340 0.000 0.000 0.199 3125 Q C 0.675 176.663 176.000 -0.019 0.000 0.957 3125 Q CA 1.296 57.108 55.803 0.014 0.000 0.857 3125 Q CB 0.270 29.070 28.738 0.102 0.000 0.929 3125 Q HN 0.421 nan 8.270 nan 0.000 0.453 3126 G N -0.560 108.223 108.800 -0.029 0.000 2.141 3126 G HA2 -0.150 3.810 3.960 0.000 0.000 0.231 3126 G HA3 -0.150 3.810 3.960 0.000 0.000 0.231 3126 G C -0.057 174.802 174.900 -0.068 0.000 0.984 3126 G CA 0.174 45.248 45.100 -0.043 0.000 0.660 3126 G HN 0.840 nan 8.290 nan 0.000 0.525 3127 A N -1.280 121.497 122.820 -0.072 0.000 2.586 3127 A HA 0.790 5.110 4.320 0.000 0.000 0.291 3127 A C -3.155 174.395 177.584 -0.056 0.000 1.062 3127 A CA -0.742 51.244 52.037 -0.084 0.000 0.666 3127 A CB 0.708 19.668 19.000 -0.066 0.000 1.281 3127 A HN 0.157 nan 8.150 nan 0.000 0.421 3128 P HA 0.130 nan 4.420 nan 0.000 0.258 3128 P C -0.350 177.015 177.300 0.107 0.000 1.172 3128 P CA 0.518 63.633 63.100 0.026 0.000 0.762 3128 P CB -0.146 31.571 31.700 0.027 0.000 0.764 3129 F N 5.765 125.721 119.950 0.011 0.000 2.580 3129 F HA -0.069 4.458 4.527 0.000 0.000 0.398 3129 F C 1.172 176.993 175.800 0.035 0.000 1.023 3129 F CA 0.376 58.391 58.000 0.025 0.000 1.188 3129 F CB -0.427 38.612 39.000 0.066 0.000 1.005 3129 F HN 0.274 nan 8.300 nan 0.000 0.546 3130 L N 3.576 124.441 121.223 -0.596 0.000 3.976 3130 L HA -0.327 4.013 4.340 0.000 0.000 0.418 3130 L C 0.653 177.373 176.870 -0.250 0.000 1.177 3130 L CA 0.550 55.055 54.840 -0.557 0.000 0.968 3130 L CB -2.379 39.199 42.059 -0.803 0.000 1.933 3130 L HN 0.726 nan 8.230 nan 0.000 0.976 3131 S N -1.844 113.774 115.700 -0.137 0.000 2.645 3131 S HA 0.516 4.986 4.470 0.000 0.000 0.266 3131 S C 0.322 174.874 174.600 -0.080 0.000 1.258 3131 S CA -0.051 58.107 58.200 -0.070 0.000 0.990 3131 S CB 2.186 65.371 63.200 -0.025 0.000 0.967 3131 S HN 0.273 nan 8.310 nan 0.000 0.556 3132 S N 1.453 117.122 115.700 -0.051 0.000 2.474 3132 S HA 0.405 4.875 4.470 0.000 0.000 0.321 3132 S C -0.355 174.224 174.600 -0.035 0.000 1.080 3132 S CA -0.831 57.342 58.200 -0.045 0.000 1.106 3132 S CB 0.002 63.187 63.200 -0.024 0.000 0.984 3132 S HN 0.775 nan 8.310 nan 0.000 0.464 3133 M N 5.886 125.458 119.600 -0.047 0.000 2.238 3133 M HA 0.370 4.850 4.480 0.000 0.000 0.347 3133 M C -1.064 175.217 176.300 -0.032 0.000 1.173 3133 M CA -0.257 55.017 55.300 -0.044 0.000 1.147 3133 M CB 0.640 33.203 32.600 -0.061 0.000 1.547 3133 M HN 0.423 nan 8.290 nan 0.000 0.455 3134 V N 4.714 124.615 119.914 -0.023 0.000 2.498 3134 V HA 0.468 4.588 4.120 0.000 0.000 0.279 3134 V C 0.441 176.524 176.094 -0.017 0.000 1.048 3134 V CA -0.221 62.072 62.300 -0.011 0.000 0.967 3134 V CB 0.995 32.815 31.823 -0.004 0.000 0.988 3134 V HN 1.022 nan 8.190 nan 0.000 0.473 3135 T N -0.088 114.459 114.554 -0.011 0.000 2.838 3135 T HA 0.353 4.703 4.350 0.000 0.000 0.292 3135 T C 0.272 174.974 174.700 0.003 0.000 1.113 3135 T CA -0.261 61.830 62.100 -0.016 0.000 1.008 3135 T CB 1.909 70.753 68.868 -0.041 0.000 1.259 3135 T HN 0.619 nan 8.240 nan 0.000 0.520 3136 D N -0.132 120.269 120.400 0.002 0.000 2.328 3136 D HA 0.083 4.723 4.640 0.000 0.000 0.226 3136 D C 0.654 176.969 176.300 0.026 0.000 1.066 3136 D CA -0.192 53.815 54.000 0.011 0.000 0.861 3136 D CB -0.355 40.448 40.800 0.005 0.000 0.912 3136 D HN 0.388 nan 8.370 nan 0.000 0.521 3137 S N 1.818 117.543 115.700 0.041 0.000 2.525 3137 S HA 0.092 4.562 4.470 0.000 0.000 0.285 3137 S C -1.043 173.610 174.600 0.089 0.000 1.283 3137 S CA -0.924 57.326 58.200 0.082 0.000 1.072 3137 S CB 1.000 64.290 63.200 0.151 0.000 0.867 3137 S HN 0.098 nan 8.310 nan 0.000 0.492 3138 P HA 0.081 nan 4.420 nan 0.000 0.227 3138 P C 0.124 177.442 177.300 0.030 0.000 1.161 3138 P CA 0.271 63.395 63.100 0.040 0.000 0.788 3138 P CB -0.018 31.697 31.700 0.025 0.000 0.822 3139 I N 1.179 121.781 120.570 0.054 0.000 2.648 3139 I HA -0.022 4.148 4.170 0.000 0.000 0.284 3139 I C 1.331 177.395 176.117 -0.089 0.000 1.153 3139 I CA 0.277 61.550 61.300 -0.046 0.000 1.426 3139 I CB 0.230 38.201 38.000 -0.050 0.000 1.381 3139 I HN -0.271 nan 8.210 nan 0.000 0.571 3140 K N 6.666 126.960 120.400 -0.177 0.000 3.000 3140 K HA 0.097 4.417 4.320 0.000 0.000 0.265 3140 K C -0.732 175.776 176.600 -0.154 0.000 1.260 3140 K CA -0.017 56.196 56.287 -0.124 0.000 1.209 3140 K CB -0.527 31.919 32.500 -0.090 0.000 1.484 3140 K HN 0.388 nan 8.250 nan 0.000 0.283 3141 Y N 0.442 120.731 120.300 -0.019 0.000 2.281 3141 Y HA 0.318 4.868 4.550 0.000 0.000 0.337 3141 Y C 1.545 177.432 175.900 -0.023 0.000 1.304 3141 Y CA 0.584 58.670 58.100 -0.024 0.000 1.465 3141 Y CB 0.933 39.377 38.460 -0.027 0.000 1.350 3141 Y HN 0.469 nan 8.280 nan 0.000 0.575 3142 G N 0.158 109.052 108.800 0.157 0.000 2.302 3142 G HA2 -0.070 3.890 3.960 0.000 0.000 0.264 3142 G HA3 -0.070 3.890 3.960 0.000 0.000 0.264 3142 G C -1.769 173.155 174.900 0.039 0.000 1.335 3142 G CA -0.866 44.278 45.100 0.074 0.000 0.982 3142 G HN 0.540 nan 8.290 nan 0.000 0.473 3143 D N 0.500 120.914 120.400 0.022 0.000 2.470 3143 D HA 0.437 5.077 4.640 0.000 0.000 0.226 3143 D C 1.352 177.659 176.300 0.011 0.000 1.196 3143 D CA 0.193 54.200 54.000 0.012 0.000 0.979 3143 D CB 0.739 41.546 40.800 0.012 0.000 1.059 3143 D HN 0.267 nan 8.370 nan 0.000 0.515 3144 V N 3.146 123.065 119.914 0.008 0.000 2.672 3144 V HA -0.022 4.098 4.120 0.000 0.000 0.242 3144 V C 1.875 177.971 176.094 0.003 0.000 1.059 3144 V CA 0.713 63.015 62.300 0.002 0.000 1.081 3144 V CB -0.091 31.730 31.823 -0.005 0.000 0.752 3144 V HN 0.556 nan 8.190 nan 0.000 0.472 3145 M N -0.414 119.187 119.600 0.001 0.000 2.371 3145 M HA 0.286 4.766 4.480 0.000 0.000 0.246 3145 M C 0.380 176.693 176.300 0.022 0.000 1.103 3145 M CA 0.106 55.410 55.300 0.007 0.000 1.010 3145 M CB -0.647 31.948 32.600 -0.007 0.000 1.457 3145 M HN 0.379 nan 8.290 nan 0.000 0.486 3146 N N 1.199 119.911 118.700 0.021 0.000 2.705 3146 N HA -0.142 4.598 4.740 0.000 0.000 0.255 3146 N C 1.007 176.555 175.510 0.064 0.000 1.008 3146 N CA 0.251 53.323 53.050 0.037 0.000 0.742 3146 N CB -1.126 37.388 38.487 0.045 0.000 0.906 3146 N HN 0.148 nan 8.380 nan 0.000 0.541 3147 V N -0.219 119.716 119.914 0.035 0.000 2.261 3147 V HA -0.105 4.015 4.120 0.000 0.000 0.246 3147 V C 1.406 177.601 176.094 0.170 0.000 1.047 3147 V CA 1.566 63.899 62.300 0.056 0.000 1.015 3147 V CB 0.026 31.764 31.823 -0.141 0.000 0.642 3147 V HN 0.404 nan 8.190 nan 0.000 0.446 3148 I N 0.409 121.027 120.570 0.081 0.000 2.447 3148 I HA 0.504 4.674 4.170 0.000 0.000 0.287 3148 I C -1.138 175.012 176.117 0.056 0.000 1.023 3148 I CA -0.317 61.040 61.300 0.094 0.000 1.083 3148 I CB 1.794 39.830 38.000 0.060 0.000 1.245 3148 I HN 0.258 nan 8.210 nan 0.000 0.434 3149 D N 5.463 125.901 120.400 0.062 0.000 2.717 3149 D HA 0.785 5.425 4.640 0.000 0.000 0.223 3149 D C -1.670 174.670 176.300 0.068 0.000 1.240 3149 D CA -0.310 53.724 54.000 0.056 0.000 0.801 3149 D CB 2.253 43.089 40.800 0.059 0.000 1.556 3149 D HN 0.698 nan 8.370 nan 0.000 0.462 3150 A N 2.442 125.305 122.820 0.072 0.000 2.532 3150 A HA 0.642 4.962 4.320 0.000 0.000 0.296 3150 A C -2.819 174.842 177.584 0.128 0.000 1.058 3150 A CA -1.153 50.951 52.037 0.112 0.000 0.729 3150 A CB 1.412 20.462 19.000 0.083 0.000 1.285 3150 A HN 0.438 nan 8.150 nan 0.000 0.396 3151 P HA 0.278 nan 4.420 nan 0.000 0.268 3151 P C 0.989 178.412 177.300 0.204 0.000 1.205 3151 P CA 0.507 63.699 63.100 0.153 0.000 0.771 3151 P CB 1.228 33.001 31.700 0.122 0.000 0.858 3152 A N 3.476 126.375 122.820 0.131 0.000 1.978 3152 A HA -0.030 4.290 4.320 0.000 0.000 0.220 3152 A C 1.117 178.815 177.584 0.190 0.000 1.170 3152 A CA 1.892 54.002 52.037 0.120 0.000 0.636 3152 A CB -0.928 18.115 19.000 0.071 0.000 0.810 3152 A HN 0.741 nan 8.150 nan 0.000 0.448 3153 T N -3.741 110.918 114.554 0.175 0.000 2.883 3153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 3153 T C -0.865 173.857 174.700 0.037 0.000 1.158 3153 T CA -0.626 61.561 62.100 0.145 0.000 1.007 3153 T CB 1.504 70.411 68.868 0.066 0.000 1.186 3153 T HN 0.174 nan 8.240 nan 0.000 0.499 3154 I N 1.773 122.288 120.570 -0.093 0.000 2.439 3154 I HA 0.567 4.737 4.170 0.000 0.000 0.283 3154 I C 0.640 176.674 176.117 -0.138 0.000 1.023 3154 I CA -1.125 60.062 61.300 -0.187 0.000 1.100 3154 I CB 1.406 39.157 38.000 -0.415 0.000 1.238 3154 I HN 1.024 nan 8.210 nan 0.000 0.445 3155 A N 4.692 127.461 122.820 -0.085 0.000 2.346 3155 A HA 0.699 5.019 4.320 0.000 0.000 0.252 3155 A C 0.657 178.201 177.584 -0.067 0.000 1.089 3155 A CA -0.247 51.753 52.037 -0.062 0.000 0.797 3155 A CB 0.438 19.416 19.000 -0.036 0.000 1.047 3155 A HN 0.838 nan 8.150 nan 0.000 0.494 3156 A N -0.057 122.739 122.820 -0.040 0.000 2.567 3156 A HA 0.457 4.777 4.320 0.000 0.000 0.240 3156 A C 1.621 179.186 177.584 -0.030 0.000 1.053 3156 A CA 0.923 52.951 52.037 -0.016 0.000 0.755 3156 A CB -1.016 18.004 19.000 0.034 0.000 0.978 3156 A HN 2.755 nan 8.150 nan 0.000 0.507 3157 G N 0.703 109.477 108.800 -0.043 0.000 2.176 3157 G HA2 0.149 4.109 3.960 0.000 0.000 0.253 3157 G HA3 0.149 4.109 3.960 0.000 0.000 0.253 3157 G C 0.520 175.387 174.900 -0.054 0.000 0.979 3157 G CA 0.613 45.685 45.100 -0.046 0.000 0.641 3157 G HN 2.196 nan 8.290 nan 0.000 0.530 3158 A N -0.580 122.199 122.820 -0.069 0.000 2.281 3158 A HA 0.881 5.201 4.320 0.000 0.000 0.329 3158 A C 0.175 177.704 177.584 -0.092 0.000 1.122 3158 A CA 0.536 52.531 52.037 -0.070 0.000 0.850 3158 A CB 1.230 20.191 19.000 -0.066 0.000 1.207 3158 A HN 0.701 nan 8.150 nan 0.000 0.495 3159 T N 0.574 115.085 114.554 -0.072 0.000 2.812 3159 T HA 0.625 4.975 4.350 0.000 0.000 0.282 3159 T C 0.159 174.826 174.700 -0.056 0.000 0.990 3159 T CA 0.021 62.079 62.100 -0.071 0.000 0.960 3159 T CB 1.533 70.375 68.868 -0.043 0.000 0.948 3159 T HN 1.053 nan 8.240 nan 0.000 0.438 3160 G N 1.861 110.621 108.800 -0.066 0.000 2.432 3160 G HA2 0.660 4.620 3.960 0.000 0.000 0.331 3160 G HA3 0.660 4.620 3.960 0.000 0.000 0.331 3160 G C -0.972 173.945 174.900 0.027 0.000 1.170 3160 G CA -0.607 44.480 45.100 -0.021 0.000 0.943 3160 G HN 0.490 nan 8.290 nan 0.000 0.483 3161 E N 0.661 120.892 120.200 0.052 0.000 2.183 3161 E HA 0.488 4.838 4.350 0.000 0.000 0.271 3161 E C -0.443 176.216 176.600 0.097 0.000 0.919 3161 E CA -0.421 56.019 56.400 0.068 0.000 0.781 3161 E CB 2.451 32.179 29.700 0.047 0.000 1.140 3161 E HN 0.307 nan 8.360 nan 0.000 0.402 3162 L N 0.861 122.152 121.223 0.114 0.000 2.354 3162 L HA 0.654 4.994 4.340 0.000 0.000 0.264 3162 L C -0.120 176.809 176.870 0.097 0.000 1.008 3162 L CA -0.888 54.026 54.840 0.123 0.000 0.819 3162 L CB 2.141 44.303 42.059 0.171 0.000 1.339 3162 L HN 0.333 nan 8.230 nan 0.000 0.420 3163 T N 2.149 116.756 114.554 0.087 0.000 2.916 3163 T HA 0.702 5.052 4.350 0.000 0.000 0.298 3163 T C -0.856 173.885 174.700 0.069 0.000 1.031 3163 T CA -0.438 61.707 62.100 0.074 0.000 0.993 3163 T CB 2.280 71.212 68.868 0.107 0.000 1.045 3163 T HN 0.505 nan 8.240 nan 0.000 0.454 3164 M N 2.932 122.542 119.600 0.016 0.000 2.484 3164 M HA 0.672 5.152 4.480 0.000 0.000 0.289 3164 M C -2.434 173.808 176.300 -0.098 0.000 1.206 3164 M CA -0.709 54.577 55.300 -0.023 0.000 0.892 3164 M CB 1.763 34.325 32.600 -0.064 0.000 1.712 3164 M HN 0.631 nan 8.290 nan 0.000 0.462 3165 Y N 2.569 122.829 120.300 -0.068 0.000 2.462 3165 Y HA 0.705 5.255 4.550 0.000 0.000 0.346 3165 Y C -1.566 174.369 175.900 0.058 0.000 0.976 3165 Y CA -0.330 57.839 58.100 0.116 0.000 1.044 3165 Y CB 2.090 40.673 38.460 0.204 0.000 1.230 3165 Y HN 0.621 nan 8.280 nan 0.000 0.455 3166 Y N 1.422 122.006 120.300 0.473 0.000 2.477 3166 Y HA 0.269 4.819 4.550 0.000 0.000 0.347 3166 Y C -0.946 175.171 175.900 0.363 0.000 0.981 3166 Y CA -1.522 56.759 58.100 0.301 0.000 1.033 3166 Y CB 1.939 40.457 38.460 0.098 0.000 1.245 3166 Y HN 0.646 nan 8.280 nan 0.000 0.455 3167 W N 5.219 126.607 121.300 0.147 0.000 2.329 3167 W HA 0.658 5.318 4.660 0.000 0.000 0.312 3167 W C -1.860 174.683 176.519 0.040 0.000 1.054 3167 W CA -1.017 56.404 57.345 0.126 0.000 1.245 3167 W CB 1.410 30.902 29.460 0.052 0.000 1.255 3167 W HN 0.307 nan 8.180 nan 0.000 0.436 3168 V N 9.454 129.089 119.914 -0.465 0.000 2.334 3168 V HA 0.185 4.305 4.120 0.000 0.000 0.267 3168 V C -1.593 174.000 176.094 -0.835 0.000 1.040 3168 V CA -1.557 60.469 62.300 -0.457 0.000 0.866 3168 V CB 0.889 32.575 31.823 -0.230 0.000 1.019 3168 V HN 0.367 nan 8.190 nan 0.000 0.468 3169 P HA 0.392 nan 4.420 nan 0.000 0.282 3169 P C 0.047 177.217 177.300 -0.216 0.000 1.249 3169 P CA -0.297 62.596 63.100 -0.346 0.000 0.806 3169 P CB 2.503 34.323 31.700 0.201 0.000 0.984 3170 L N 1.264 122.412 121.223 -0.125 0.000 2.675 3170 L HA 0.327 4.667 4.340 0.000 0.000 0.178 3170 L C 1.364 178.362 176.870 0.213 0.000 1.135 3170 L CA 0.097 54.892 54.840 -0.076 0.000 0.855 3170 L CB -0.782 41.106 42.059 -0.284 0.000 1.235 3170 L HN 0.324 nan 8.230 nan 0.000 0.499 3171 A N -0.922 121.995 122.820 0.163 0.000 2.407 3171 A HA -0.005 4.315 4.320 0.000 0.000 0.248 3171 A C 0.512 178.264 177.584 0.280 0.000 1.082 3171 A CA 0.014 52.171 52.037 0.201 0.000 0.785 3171 A CB -0.001 19.079 19.000 0.133 0.000 1.020 3171 A HN 0.356 nan 8.150 nan 0.000 0.489 3172 Y N 2.223 122.526 120.300 0.005 0.000 2.181 3172 Y HA -0.011 4.539 4.550 0.000 0.000 0.288 3172 Y C 1.262 177.133 175.900 -0.049 0.000 1.146 3172 Y CA 1.714 59.653 58.100 -0.268 0.000 1.164 3172 Y CB 0.011 38.331 38.460 -0.232 0.000 0.982 3172 Y HN 0.883 nan 8.280 nan 0.000 0.515 3173 S N -2.431 113.248 115.700 -0.036 0.000 2.757 3173 S HA 0.263 4.733 4.470 0.000 0.000 0.285 3173 S C 0.371 174.955 174.600 -0.026 0.000 1.196 3173 S CA -0.624 57.509 58.200 -0.111 0.000 0.856 3173 S CB 1.065 64.175 63.200 -0.150 0.000 1.212 3173 S HN 0.076 nan 8.310 nan 0.000 0.516 3174 E N 1.076 121.231 120.200 -0.075 0.000 2.204 3174 E HA -0.019 4.331 4.350 0.000 0.000 0.194 3174 E C 1.722 178.297 176.600 -0.041 0.000 0.989 3174 E CA 1.909 58.267 56.400 -0.071 0.000 0.824 3174 E CB -0.370 29.259 29.700 -0.118 0.000 0.756 3174 E HN 0.848 nan 8.360 nan 0.000 0.477 3175 T N -2.431 112.111 114.554 -0.020 0.000 2.990 3175 T HA 0.051 4.401 4.350 0.000 0.000 0.250 3175 T C 0.475 175.187 174.700 0.020 0.000 1.041 3175 T CA -0.289 61.808 62.100 -0.006 0.000 1.010 3175 T CB 0.422 69.286 68.868 -0.007 0.000 1.003 3175 T HN -0.201 nan 8.240 nan 0.000 0.499 3176 D N 1.219 121.654 120.400 0.057 0.000 2.441 3176 D HA 0.307 4.947 4.640 0.000 0.000 0.231 3176 D C 0.617 176.960 176.300 0.070 0.000 1.073 3176 D CA -0.718 53.328 54.000 0.078 0.000 0.850 3176 D CB 0.945 41.856 40.800 0.185 0.000 1.062 3176 D HN 0.211 nan 8.370 nan 0.000 0.524 3177 L N 2.588 123.824 121.223 0.021 0.000 2.645 3177 L HA 0.084 4.424 4.340 0.000 0.000 0.235 3177 L C 0.755 177.623 176.870 -0.004 0.000 1.150 3177 L CA 0.169 55.021 54.840 0.019 0.000 0.911 3177 L CB -0.375 41.687 42.059 0.004 0.000 1.077 3177 L HN 0.261 nan 8.230 nan 0.000 0.438 3178 T N 0.757 115.275 114.554 -0.061 0.000 2.871 3178 T HA 0.249 4.599 4.350 0.000 0.000 0.296 3178 T C 1.245 175.921 174.700 -0.041 0.000 0.998 3178 T CA 1.007 62.990 62.100 -0.195 0.000 1.162 3178 T CB 0.914 69.442 68.868 -0.566 0.000 0.947 3178 T HN 0.623 nan 8.240 nan 0.000 0.536 3179 G N 2.075 110.879 108.800 0.006 0.000 2.194 3179 G HA2 -0.092 3.868 3.960 0.000 0.000 0.236 3179 G HA3 -0.092 3.868 3.960 0.000 0.000 0.236 3179 G C 0.372 175.378 174.900 0.176 0.000 0.987 3179 G CA -0.041 45.165 45.100 0.177 0.000 0.635 3179 G HN 1.149 nan 8.290 nan 0.000 0.520 3180 A N -0.497 122.382 122.820 0.099 0.000 2.429 3180 A HA 0.646 4.966 4.320 0.000 0.000 0.242 3180 A C 0.407 178.034 177.584 0.073 0.000 1.088 3180 A CA 0.808 52.881 52.037 0.060 0.000 0.784 3180 A CB 0.836 19.858 19.000 0.036 0.000 1.038 3180 A HN 1.213 nan 8.150 nan 0.000 0.501 3181 V N 1.610 121.546 119.914 0.036 0.000 2.487 3181 V HA 0.322 4.442 4.120 0.000 0.000 0.298 3181 V C -0.569 175.558 176.094 0.056 0.000 1.028 3181 V CA -0.506 61.837 62.300 0.072 0.000 0.860 3181 V CB 1.404 33.272 31.823 0.075 0.000 0.991 3181 V HN 0.775 nan 8.190 nan 0.000 0.427 3182 L N 5.317 126.580 121.223 0.067 0.000 2.283 3182 L HA 0.716 5.056 4.340 0.000 0.000 0.287 3182 L C 0.484 177.389 176.870 0.059 0.000 1.073 3182 L CA 0.156 55.026 54.840 0.051 0.000 0.822 3182 L CB 0.770 42.864 42.059 0.059 0.000 1.186 3182 L HN 0.746 nan 8.230 nan 0.000 0.436 3183 A N 4.309 127.153 122.820 0.039 0.000 2.938 3183 A HA 0.495 4.815 4.320 0.000 0.000 0.344 3183 A C -0.066 177.531 177.584 0.021 0.000 1.142 3183 A CA -0.444 51.616 52.037 0.038 0.000 0.841 3183 A CB -0.623 18.401 19.000 0.039 0.000 1.083 3183 A HN 0.811 nan 8.150 nan 0.000 0.479 3184 N N -0.082 118.646 118.700 0.047 0.000 2.299 3184 N HA 0.182 4.922 4.740 0.000 0.000 0.246 3184 N C -0.990 174.557 175.510 0.061 0.000 1.254 3184 N CA -0.169 52.917 53.050 0.060 0.000 0.879 3184 N CB 0.584 39.141 38.487 0.116 0.000 1.214 3184 N HN 0.063 nan 8.380 nan 0.000 0.510 3185 V N 1.772 121.713 119.914 0.046 0.000 2.277 3185 V HA 0.424 4.544 4.120 0.000 0.000 0.269 3185 V C -2.162 173.946 176.094 0.024 0.000 1.036 3185 V CA -1.611 60.712 62.300 0.037 0.000 0.821 3185 V CB 0.808 32.653 31.823 0.037 0.000 1.052 3185 V HN 0.082 nan 8.190 nan 0.000 0.462 3186 P HA 0.327 nan 4.420 nan 0.000 0.266 3186 P C 0.629 177.934 177.300 0.008 0.000 1.195 3186 P CA 1.297 64.405 63.100 0.013 0.000 0.768 3186 P CB 0.515 32.224 31.700 0.014 0.000 0.838 3187 Q N -0.409 119.393 119.800 0.003 0.000 2.360 3187 Q HA -0.208 4.132 4.340 0.000 0.000 0.192 3187 Q C 0.450 176.447 176.000 -0.006 0.000 0.615 3187 Q CA 1.419 57.220 55.803 -0.002 0.000 1.355 3187 Q CB -2.735 26.002 28.738 -0.001 0.000 1.324 3187 Q HN 0.513 nan 8.270 nan 0.000 0.885 3188 S N 0.362 116.060 115.700 -0.002 0.000 2.653 3188 S HA 0.545 5.015 4.470 0.000 0.000 0.272 3188 S C -0.213 174.382 174.600 -0.007 0.000 1.221 3188 S CA 0.145 58.342 58.200 -0.005 0.000 1.149 3188 S CB 0.394 63.598 63.200 0.006 0.000 1.029 3188 S HN 0.830 nan 8.310 nan 0.000 0.481 3189 K N 3.350 123.736 120.400 -0.023 0.000 2.087 3189 K HA 0.516 4.836 4.320 0.000 0.000 0.255 3189 K C -0.217 176.354 176.600 -0.049 0.000 0.988 3189 K CA -0.855 55.416 56.287 -0.026 0.000 0.915 3189 K CB 0.917 33.397 32.500 -0.033 0.000 1.043 3189 K HN 0.465 nan 8.250 nan 0.000 0.457 3190 Q N 0.680 120.455 119.800 -0.042 0.000 2.185 3190 Q HA 0.394 4.734 4.340 0.000 0.000 0.225 3190 Q C -0.766 175.141 176.000 -0.155 0.000 0.983 3190 Q CA -0.823 54.914 55.803 -0.110 0.000 0.950 3190 Q CB 1.331 30.076 28.738 0.013 0.000 1.176 3190 Q HN 0.447 nan 8.270 nan 0.000 0.510 3191 R N 0.636 120.974 120.500 -0.270 0.000 2.533 3191 R HA 0.419 4.759 4.340 0.000 0.000 0.288 3191 R C -1.764 174.407 176.300 -0.215 0.000 1.039 3191 R CA -0.731 55.254 56.100 -0.193 0.000 0.909 3191 R CB 1.343 31.552 30.300 -0.153 0.000 1.195 3191 R HN 0.351 nan 8.270 nan 0.000 0.438 3192 L N 3.356 124.464 121.223 -0.192 0.000 2.324 3192 L HA 0.411 4.751 4.340 0.000 0.000 0.274 3192 L C -0.964 175.796 176.870 -0.183 0.000 1.012 3192 L CA -0.285 54.426 54.840 -0.215 0.000 0.859 3192 L CB 0.975 42.772 42.059 -0.438 0.000 1.224 3192 L HN 0.419 nan 8.230 nan 0.000 0.429 3193 K N 6.151 126.472 120.400 -0.133 0.000 2.227 3193 K HA 0.552 4.872 4.320 0.000 0.000 0.280 3193 K C -1.175 175.294 176.600 -0.218 0.000 1.041 3193 K CA -0.400 55.809 56.287 -0.130 0.000 0.905 3193 K CB 1.300 33.765 32.500 -0.059 0.000 1.068 3193 K HN 0.546 nan 8.250 nan 0.000 0.470 3194 L N 3.361 124.428 121.223 -0.259 0.000 2.325 3194 L HA 0.324 4.664 4.340 0.000 0.000 0.281 3194 L C -0.269 176.361 176.870 -0.400 0.000 1.004 3194 L CA -0.551 54.008 54.840 -0.468 0.000 0.823 3194 L CB 1.526 43.174 42.059 -0.685 0.000 1.236 3194 L HN 0.527 nan 8.230 nan 0.000 0.415 3195 E N 3.808 123.754 120.200 -0.424 0.000 2.114 3195 E HA 0.392 4.742 4.350 0.000 0.000 0.266 3195 E C -1.093 175.338 176.600 -0.282 0.000 0.896 3195 E CA -0.452 55.813 56.400 -0.225 0.000 0.750 3195 E CB 1.450 31.066 29.700 -0.141 0.000 1.121 3195 E HN 0.261 nan 8.360 nan 0.000 0.413 3196 F N 1.288 121.260 119.950 0.037 0.000 2.370 3196 F HA 0.412 4.939 4.527 0.000 0.000 0.319 3196 F C 1.101 176.925 175.800 0.040 0.000 1.129 3196 F CA -0.739 57.297 58.000 0.061 0.000 1.109 3196 F CB 0.680 39.795 39.000 0.193 0.000 1.262 3196 F HN 0.400 nan 8.300 nan 0.000 0.534 3197 A N 1.618 124.582 122.820 0.241 0.000 2.406 3197 A HA 0.446 4.766 4.320 0.000 0.000 0.243 3197 A C -0.309 177.326 177.584 0.085 0.000 1.082 3197 A CA -0.273 51.866 52.037 0.170 0.000 0.786 3197 A CB -0.063 19.093 19.000 0.259 0.000 1.029 3197 A HN 0.855 nan 8.150 nan 0.000 0.495 3198 N N -0.669 118.151 118.700 0.201 0.000 3.157 3198 N HA 0.237 4.977 4.740 0.000 0.000 0.291 3198 N C -0.072 175.692 175.510 0.424 0.000 1.515 3198 N CA -0.825 52.376 53.050 0.252 0.000 0.807 3198 N CB 0.107 38.707 38.487 0.188 0.000 1.672 3198 N HN 0.288 nan 8.380 nan 0.000 0.592 3199 N N -0.187 118.786 118.700 0.456 0.000 2.272 3199 N HA -0.093 4.647 4.740 0.000 0.000 0.185 3199 N C 0.449 176.144 175.510 0.309 0.000 1.014 3199 N CA 0.850 54.181 53.050 0.468 0.000 0.870 3199 N CB -0.495 38.250 38.487 0.429 0.000 0.975 3199 N HN 0.482 nan 8.380 nan 0.000 0.433 3200 N N -0.156 118.672 118.700 0.212 0.000 2.207 3200 N HA -0.071 4.669 4.740 0.000 0.000 0.182 3200 N C 1.886 177.460 175.510 0.107 0.000 1.020 3200 N CA 1.605 54.747 53.050 0.154 0.000 0.858 3200 N CB -0.565 37.997 38.487 0.125 0.000 0.991 3200 N HN 0.459 nan 8.380 nan 0.000 0.427 3201 T N -1.980 112.628 114.554 0.089 0.000 3.009 3201 T HA 0.254 4.604 4.350 0.000 0.000 0.258 3201 T C 1.906 176.587 174.700 -0.032 0.000 1.063 3201 T CA 0.733 62.867 62.100 0.056 0.000 1.139 3201 T CB -0.091 68.829 68.868 0.088 0.000 0.890 3201 T HN 0.101 nan 8.240 nan 0.000 0.471 3202 A N 0.633 123.341 122.820 -0.186 0.000 2.067 3202 A HA 0.415 4.735 4.320 0.000 0.000 0.217 3202 A C 0.423 177.565 177.584 -0.737 0.000 1.156 3202 A CA 0.054 51.765 52.037 -0.543 0.000 0.683 3202 A CB -0.479 17.987 19.000 -0.890 0.000 0.808 3202 A HN 0.589 nan 8.150 nan 0.000 0.455 3203 F N -0.495 119.507 119.950 0.086 0.000 2.477 3203 F HA 0.640 5.167 4.527 0.000 0.000 0.335 3203 F C 0.281 176.112 175.800 0.051 0.000 1.130 3203 F CA -0.759 57.278 58.000 0.060 0.000 0.948 3203 F CB 1.737 40.753 39.000 0.026 0.000 1.154 3203 F HN 0.073 nan 8.300 nan 0.000 0.439 3204 A N 2.337 125.270 122.820 0.188 0.000 2.304 3204 A HA 0.853 5.173 4.320 0.000 0.000 0.323 3204 A C -0.193 177.447 177.584 0.094 0.000 1.195 3204 A CA -0.604 51.499 52.037 0.109 0.000 0.826 3204 A CB 0.709 19.741 19.000 0.054 0.000 1.184 3204 A HN 0.907 nan 8.150 nan 0.000 0.496 3205 A N 1.655 124.518 122.820 0.072 0.000 2.346 3205 A HA 0.530 4.850 4.320 0.000 0.000 0.252 3205 A C 0.422 178.023 177.584 0.027 0.000 1.089 3205 A CA -0.289 51.775 52.037 0.044 0.000 0.797 3205 A CB -0.023 19.001 19.000 0.040 0.000 1.047 3205 A HN 1.192 nan 8.150 nan 0.000 0.494 3206 V N 1.030 120.950 119.914 0.010 0.000 2.694 3206 V HA 0.375 4.495 4.120 0.000 0.000 0.306 3206 V C 1.692 177.791 176.094 0.007 0.000 1.054 3206 V CA 1.831 64.134 62.300 0.004 0.000 1.161 3206 V CB 0.059 31.878 31.823 -0.007 0.000 0.916 3206 V HN 1.959 nan 8.190 nan 0.000 0.490 3207 G N 3.297 112.100 108.800 0.006 0.000 2.225 3207 G HA2 -0.149 3.811 3.960 0.000 0.000 0.254 3207 G HA3 -0.149 3.811 3.960 0.000 0.000 0.254 3207 G C 0.434 175.338 174.900 0.008 0.000 0.988 3207 G CA 0.308 45.410 45.100 0.003 0.000 0.625 3207 G HN 1.506 nan 8.290 nan 0.000 0.527 3208 A N -0.156 122.674 122.820 0.017 0.000 2.271 3208 A HA 0.645 4.965 4.320 0.000 0.000 0.288 3208 A C 0.517 178.117 177.584 0.027 0.000 1.094 3208 A CA 0.152 52.203 52.037 0.023 0.000 0.828 3208 A CB 0.369 19.390 19.000 0.034 0.000 1.091 3208 A HN 0.540 nan 8.150 nan 0.000 0.493 3209 N N 1.184 119.904 118.700 0.033 0.000 2.431 3209 N HA 0.139 4.879 4.740 0.000 0.000 0.265 3209 N C -1.696 173.835 175.510 0.035 0.000 1.184 3209 N CA -1.440 51.644 53.050 0.057 0.000 0.943 3209 N CB 0.986 39.508 38.487 0.058 0.000 1.080 3209 N HN 0.351 nan 8.380 nan 0.000 0.477 3210 P HA -0.024 nan 4.420 nan 0.000 0.255 3210 P C 1.532 178.654 177.300 -0.295 0.000 1.248 3210 P CA -0.115 62.911 63.100 -0.124 0.000 0.807 3210 P CB 0.461 32.062 31.700 -0.164 0.000 1.150 3211 L N 1.425 122.495 121.223 -0.255 0.000 2.010 3211 L HA -0.193 4.147 4.340 0.000 0.000 0.219 3211 L C 1.761 178.443 176.870 -0.314 0.000 1.077 3211 L CA 2.205 56.787 54.840 -0.430 0.000 0.773 3211 L CB -0.884 41.143 42.059 -0.054 0.000 0.892 3211 L HN -0.119 nan 8.230 nan 0.000 0.436 3212 E N -0.201 119.962 120.200 -0.063 0.000 2.474 3212 E HA 0.313 4.663 4.350 0.000 0.000 0.195 3212 E C 0.643 177.269 176.600 0.045 0.000 1.039 3212 E CA 0.585 57.033 56.400 0.081 0.000 0.881 3212 E CB -0.005 29.775 29.700 0.133 0.000 0.970 3212 E HN 0.566 nan 8.360 nan 0.000 0.486 3213 A N 0.684 123.479 122.820 -0.042 0.000 2.271 3213 A HA 0.483 4.803 4.320 0.000 0.000 0.288 3213 A C 1.115 178.654 177.584 -0.074 0.000 1.094 3213 A CA -0.395 51.609 52.037 -0.054 0.000 0.828 3213 A CB 0.484 19.457 19.000 -0.046 0.000 1.091 3213 A HN 0.052 nan 8.150 nan 0.000 0.493 3214 I N -1.345 119.167 120.570 -0.096 0.000 2.810 3214 I HA 0.117 4.287 4.170 0.000 0.000 0.262 3214 I C -0.380 175.540 176.117 -0.329 0.000 1.131 3214 I CA 0.669 61.875 61.300 -0.156 0.000 1.453 3214 I CB 0.008 37.965 38.000 -0.072 0.000 1.161 3214 I HN 0.593 nan 8.210 nan 0.000 0.444 3215 Y N 0.356 120.678 120.300 0.036 0.000 2.512 3215 Y HA 0.553 5.103 4.550 0.000 0.000 0.348 3215 Y C -0.277 175.685 175.900 0.103 0.000 0.990 3215 Y CA -0.736 57.426 58.100 0.103 0.000 1.033 3215 Y CB 1.789 40.373 38.460 0.206 0.000 1.259 3215 Y HN -0.069 nan 8.280 nan 0.000 0.461 3216 Q N 1.558 121.481 119.800 0.205 0.000 2.359 3216 Q HA 0.768 5.108 4.340 0.000 0.000 0.274 3216 Q C -1.020 175.034 176.000 0.091 0.000 1.074 3216 Q CA -0.656 55.218 55.803 0.119 0.000 0.810 3216 Q CB 2.586 31.349 28.738 0.042 0.000 1.342 3216 Q HN 0.964 nan 8.270 nan 0.000 0.427 3217 G N 0.448 109.277 108.800 0.048 0.000 2.321 3217 G HA2 0.376 4.336 3.960 0.000 0.000 0.298 3217 G HA3 0.376 4.336 3.960 0.000 0.000 0.298 3217 G C -0.364 174.501 174.900 -0.059 0.000 1.385 3217 G CA -0.140 44.957 45.100 -0.004 0.000 0.856 3217 G HN 0.683 nan 8.290 nan 0.000 0.584 3218 A N -0.843 121.910 122.820 -0.111 0.000 2.178 3218 A HA 0.351 4.671 4.320 0.000 0.000 0.218 3218 A C 2.159 179.503 177.584 -0.399 0.000 1.157 3218 A CA 2.535 54.459 52.037 -0.189 0.000 0.689 3218 A CB -0.363 18.532 19.000 -0.176 0.000 0.787 3218 A HN 1.923 nan 8.150 nan 0.000 0.465 3219 G N -1.735 106.842 108.800 -0.373 0.000 3.126 3219 G HA2 0.334 4.294 3.960 0.000 0.000 0.224 3219 G HA3 0.334 4.294 3.960 0.000 0.000 0.224 3219 G C 1.318 176.117 174.900 -0.168 0.000 1.142 3219 G CA 0.844 45.670 45.100 -0.456 0.000 0.759 3219 G HN 0.585 nan 8.290 nan 0.000 0.550 3220 A N 1.594 124.351 122.820 -0.104 0.000 1.903 3220 A HA 0.041 4.361 4.320 0.000 0.000 0.219 3220 A C 2.778 180.346 177.584 -0.026 0.000 1.191 3220 A CA 2.409 54.427 52.037 -0.032 0.000 0.638 3220 A CB -0.825 18.219 19.000 0.073 0.000 0.823 3220 A HN 0.856 nan 8.150 nan 0.000 0.451 3221 A N -0.814 122.023 122.820 0.029 0.000 2.032 3221 A HA -0.175 4.145 4.320 0.000 0.000 0.221 3221 A C 1.417 179.008 177.584 0.012 0.000 1.165 3221 A CA 1.819 53.887 52.037 0.050 0.000 0.645 3221 A CB -0.373 18.674 19.000 0.077 0.000 0.807 3221 A HN 0.503 nan 8.150 nan 0.000 0.453 3222 D N -1.207 119.191 120.400 -0.003 0.000 2.388 3222 D HA 0.183 4.823 4.640 0.000 0.000 0.221 3222 D C -0.423 175.762 176.300 -0.192 0.000 1.133 3222 D CA -0.019 53.948 54.000 -0.055 0.000 0.831 3222 D CB -0.094 40.703 40.800 -0.004 0.000 0.962 3222 D HN 0.284 nan 8.370 nan 0.000 0.502 3223 C N 1.161 120.227 119.300 -0.390 0.000 2.401 3223 C HA 0.459 4.919 4.460 0.000 0.000 0.365 3223 C C 0.600 175.161 174.990 -0.715 0.000 1.250 3223 C CA -0.471 58.067 59.018 -0.799 0.000 2.131 3223 C CB 0.786 27.551 27.740 -1.625 0.000 2.445 3223 C HN 0.206 nan 8.230 nan 0.000 0.550 3224 E N 0.666 120.568 120.200 -0.497 0.000 2.343 3224 E HA 0.361 4.711 4.350 0.000 0.000 0.278 3224 E C -1.377 175.242 176.600 0.032 0.000 0.910 3224 E CA -0.484 55.870 56.400 -0.077 0.000 0.757 3224 E CB 1.565 31.267 29.700 0.003 0.000 1.218 3224 E HN 0.486 nan 8.360 nan 0.000 0.435 3225 F N 1.760 121.860 119.950 0.250 0.000 2.459 3225 F HA 0.056 4.583 4.527 0.000 0.000 0.346 3225 F C 1.810 177.647 175.800 0.063 0.000 1.128 3225 F CA 0.351 58.454 58.000 0.172 0.000 1.268 3225 F CB 0.773 39.857 39.000 0.140 0.000 1.161 3225 F HN 0.496 nan 8.300 nan 0.000 0.583 3226 E N 1.224 121.559 120.200 0.224 0.000 2.201 3226 E HA 0.042 4.392 4.350 0.000 0.000 0.193 3226 E C -0.213 176.422 176.600 0.058 0.000 0.957 3226 E CA 0.578 57.039 56.400 0.102 0.000 0.858 3226 E CB 0.356 30.086 29.700 0.050 0.000 0.816 3226 E HN 0.803 nan 8.360 nan 0.000 0.475 3227 E N -0.505 119.721 120.200 0.043 0.000 2.403 3227 E HA 0.505 4.855 4.350 0.000 0.000 0.280 3227 E C -1.137 175.303 176.600 -0.267 0.000 1.101 3227 E CA -0.522 55.788 56.400 -0.150 0.000 0.856 3227 E CB 0.955 30.566 29.700 -0.147 0.000 1.303 3227 E HN -0.134 nan 8.360 nan 0.000 0.441 3228 I N 0.936 121.096 120.570 -0.684 0.000 2.686 3228 I HA 0.548 4.718 4.170 0.000 0.000 0.295 3228 I C -0.977 174.607 176.117 -0.889 0.000 1.114 3228 I CA -0.938 59.885 61.300 -0.795 0.000 1.038 3228 I CB 2.286 39.580 38.000 -1.177 0.000 1.238 3228 I HN 0.562 nan 8.210 nan 0.000 0.420 3229 S N 4.069 119.478 115.700 -0.484 0.000 2.549 3229 S HA 0.775 5.245 4.470 0.000 0.000 0.280 3229 S C -1.582 172.920 174.600 -0.164 0.000 1.109 3229 S CA -0.434 57.555 58.200 -0.353 0.000 0.905 3229 S CB 1.391 64.450 63.200 -0.235 0.000 1.081 3229 S HN 0.472 nan 8.310 nan 0.000 0.477 3230 Y N -0.037 120.176 120.300 -0.145 0.000 2.553 3230 Y HA 0.835 5.385 4.550 0.000 0.000 0.347 3230 Y C -0.874 175.003 175.900 -0.039 0.000 1.019 3230 Y CA -0.883 57.197 58.100 -0.034 0.000 1.032 3230 Y CB 1.410 39.934 38.460 0.105 0.000 1.284 3230 Y HN 0.421 nan 8.280 nan 0.000 0.466 3231 T N 2.964 117.653 114.554 0.225 0.000 3.011 3231 T HA 0.503 4.853 4.350 0.000 0.000 0.303 3231 T C -1.433 173.363 174.700 0.160 0.000 0.997 3231 T CA -0.638 61.509 62.100 0.078 0.000 1.007 3231 T CB 1.362 70.217 68.868 -0.022 0.000 1.017 3231 T HN 0.625 nan 8.240 nan 0.000 0.443 3232 V N 4.224 124.210 119.914 0.120 0.000 2.394 3232 V HA 0.474 4.594 4.120 0.000 0.000 0.282 3232 V C -1.077 175.047 176.094 0.050 0.000 1.031 3232 V CA -0.727 61.668 62.300 0.159 0.000 0.881 3232 V CB 0.748 32.655 31.823 0.141 0.000 0.982 3232 V HN 0.810 nan 8.190 nan 0.000 0.451 3233 Y N 3.025 123.506 120.300 0.301 0.000 2.352 3233 Y HA 0.498 5.048 4.550 0.000 0.000 0.339 3233 Y C 0.299 176.395 175.900 0.328 0.000 0.992 3233 Y CA -0.346 57.928 58.100 0.289 0.000 1.100 3233 Y CB 1.722 40.344 38.460 0.271 0.000 1.192 3233 Y HN 0.553 nan 8.280 nan 0.000 0.458 3234 Q N 2.122 122.184 119.800 0.438 0.000 2.290 3234 Q HA 0.433 4.773 4.340 0.000 0.000 0.259 3234 Q C -0.927 175.221 176.000 0.248 0.000 0.941 3234 Q CA -0.556 55.415 55.803 0.281 0.000 0.912 3234 Q CB 1.340 30.284 28.738 0.344 0.000 1.244 3234 Q HN 0.656 nan 8.270 nan 0.000 0.441 3235 S N 4.256 119.999 115.700 0.071 0.000 2.429 3235 S HA 0.618 5.088 4.470 0.000 0.000 0.302 3235 S C -1.376 173.282 174.600 0.097 0.000 1.115 3235 S CA -0.360 57.905 58.200 0.108 0.000 1.095 3235 S CB 0.201 63.577 63.200 0.292 0.000 0.987 3235 S HN 0.564 nan 8.310 nan 0.000 0.474 3236 Y N 2.134 122.421 120.300 -0.022 0.000 2.744 3236 Y HA 0.724 5.274 4.550 0.000 0.000 0.330 3236 Y C -1.843 174.042 175.900 -0.024 0.000 1.263 3236 Y CA -1.569 56.507 58.100 -0.040 0.000 1.065 3236 Y CB 0.871 39.309 38.460 -0.038 0.000 1.306 3236 Y HN 0.394 nan 8.280 nan 0.000 0.459 3237 L N 2.312 123.632 121.223 0.162 0.000 2.313 3237 L HA 0.481 4.821 4.340 0.000 0.000 0.283 3237 L C -1.013 175.967 176.870 0.183 0.000 1.013 3237 L CA -0.571 54.303 54.840 0.057 0.000 0.816 3237 L CB 1.481 43.548 42.059 0.013 0.000 1.236 3237 L HN 0.667 nan 8.230 nan 0.000 0.419 3238 D N 1.339 121.826 120.400 0.145 0.000 2.442 3238 D HA 0.270 4.910 4.640 0.000 0.000 0.254 3238 D C -0.412 175.947 176.300 0.098 0.000 1.069 3238 D CA -0.054 54.058 54.000 0.187 0.000 1.017 3238 D CB 1.265 42.216 40.800 0.252 0.000 1.172 3238 D HN 0.427 nan 8.370 nan 0.000 0.561 3239 Q N 0.006 119.852 119.800 0.077 0.000 2.460 3239 Q HA -0.185 4.155 4.340 0.000 0.000 0.311 3239 Q C -0.509 175.497 176.000 0.010 0.000 1.396 3239 Q CA 0.116 55.952 55.803 0.054 0.000 0.838 3239 Q CB -1.369 27.412 28.738 0.071 0.000 1.140 3239 Q HN 0.408 nan 8.270 nan 0.000 0.415 3240 L N 2.137 123.307 121.223 -0.087 0.000 2.499 3240 L HA 0.167 4.507 4.340 0.000 0.000 0.273 3240 L C -1.145 175.689 176.870 -0.059 0.000 1.195 3240 L CA -1.352 53.377 54.840 -0.185 0.000 0.882 3240 L CB -0.291 41.429 42.059 -0.566 0.000 1.133 3240 L HN 0.079 nan 8.230 nan 0.000 0.483 3241 P HA 0.071 nan 4.420 nan 0.000 0.268 3241 P C -0.765 176.635 177.300 0.166 0.000 1.204 3241 P CA -0.096 63.047 63.100 0.073 0.000 0.768 3241 P CB 1.180 32.909 31.700 0.048 0.000 0.842 3242 V N 2.897 122.916 119.914 0.175 0.000 2.513 3242 V HA 0.727 4.847 4.120 0.000 0.000 0.299 3242 V C 0.914 177.066 176.094 0.097 0.000 1.035 3242 V CA -0.035 62.378 62.300 0.188 0.000 0.889 3242 V CB 1.599 33.517 31.823 0.158 0.000 0.988 3242 V HN 0.909 nan 8.190 nan 0.000 0.440 3243 G N 2.143 110.988 108.800 0.075 0.000 3.247 3243 G HA2 0.584 4.544 3.960 0.000 0.000 0.199 3243 G HA3 0.584 4.544 3.960 0.000 0.000 0.199 3243 G C -0.266 174.650 174.900 0.026 0.000 1.172 3243 G CA 0.236 45.364 45.100 0.046 0.000 0.844 3243 G HN 0.789 nan 8.290 nan 0.000 0.619 3244 Q N -1.367 118.445 119.800 0.020 0.000 2.844 3244 Q HA 0.529 4.869 4.340 0.000 0.000 0.235 3244 Q C 0.364 176.368 176.000 0.007 0.000 1.336 3244 Q CA 0.756 56.565 55.803 0.010 0.000 1.026 3244 Q CB -1.221 27.523 28.738 0.009 0.000 1.513 3244 Q HN 2.265 nan 8.270 nan 0.000 0.577 3245 N N -1.256 117.444 118.700 -0.000 0.000 3.400 3245 N HA 0.440 5.180 4.740 0.000 0.000 0.134 3245 N C 1.237 176.737 175.510 -0.018 0.000 1.073 3245 N CA 0.861 53.908 53.050 -0.005 0.000 2.788 3245 N CB -1.293 37.198 38.487 0.007 0.000 1.172 3245 N HN 2.131 nan 8.380 nan 0.000 0.820 3246 G N -0.539 108.240 108.800 -0.034 0.000 2.484 3246 G HA2 -0.045 3.915 3.960 0.000 0.000 0.225 3246 G HA3 -0.045 3.915 3.960 0.000 0.000 0.225 3246 G C -0.227 174.679 174.900 0.010 0.000 1.250 3246 G CA -0.232 44.809 45.100 -0.097 0.000 0.926 3246 G HN 1.251 nan 8.290 nan 0.000 0.581 3247 Y N 0.349 120.660 120.300 0.017 0.000 2.712 3247 Y HA 0.302 4.852 4.550 0.000 0.000 0.333 3247 Y C 1.517 177.427 175.900 0.017 0.000 1.225 3247 Y CA -0.205 57.907 58.100 0.020 0.000 1.499 3247 Y CB 0.311 38.785 38.460 0.023 0.000 1.288 3247 Y HN 0.333 nan 8.280 nan 0.000 0.575 3248 I N 6.138 126.826 120.570 0.196 0.000 2.308 3248 I HA 0.127 4.297 4.170 0.000 0.000 0.293 3248 I C -0.605 175.557 176.117 0.077 0.000 1.078 3248 I CA 0.253 61.614 61.300 0.102 0.000 1.292 3248 I CB -0.001 38.041 38.000 0.071 0.000 1.423 3248 I HN 0.341 nan 8.210 nan 0.000 0.493 3249 L N 8.690 129.955 121.223 0.069 0.000 2.408 3249 L HA 0.506 4.846 4.340 0.000 0.000 0.268 3249 L C -2.391 174.494 176.870 0.026 0.000 0.986 3249 L CA -1.902 52.965 54.840 0.045 0.000 0.820 3249 L CB 2.353 44.452 42.059 0.067 0.000 1.303 3249 L HN 0.340 nan 8.230 nan 0.000 0.411 3250 P HA 0.152 nan 4.420 nan 0.000 0.273 3250 P C 0.700 177.998 177.300 -0.004 0.000 1.428 3250 P CA -0.212 62.886 63.100 -0.003 0.000 0.995 3250 P CB 0.671 32.362 31.700 -0.015 0.000 1.286 3251 L N 2.767 123.991 121.223 0.001 0.000 2.079 3251 L HA -0.177 4.163 4.340 0.000 0.000 0.210 3251 L C 2.419 179.281 176.870 -0.014 0.000 1.081 3251 L CA 1.420 56.262 54.840 0.002 0.000 0.752 3251 L CB -0.551 41.512 42.059 0.007 0.000 0.896 3251 L HN 0.270 nan 8.230 nan 0.000 0.433 3252 I N -0.474 120.077 120.570 -0.032 0.000 2.233 3252 I HA -0.243 3.927 4.170 0.000 0.000 0.243 3252 I C 2.111 178.180 176.117 -0.080 0.000 1.093 3252 I CA 1.025 62.291 61.300 -0.057 0.000 1.380 3252 I CB -0.431 37.526 38.000 -0.073 0.000 1.067 3252 I HN 0.207 nan 8.210 nan 0.000 0.413 3253 D N 1.310 121.663 120.400 -0.079 0.000 2.106 3253 D HA -0.178 4.462 4.640 0.000 0.000 0.191 3253 D C 2.166 178.437 176.300 -0.048 0.000 0.997 3253 D CA 1.479 55.425 54.000 -0.091 0.000 0.834 3253 D CB -0.396 40.368 40.800 -0.060 0.000 0.956 3253 D HN 0.271 nan 8.370 nan 0.000 0.448 3254 L N 0.309 121.524 121.223 -0.012 0.000 2.551 3254 L HA -0.014 4.326 4.340 0.000 0.000 0.228 3254 L C 1.526 178.417 176.870 0.034 0.000 1.153 3254 L CA 0.715 55.570 54.840 0.025 0.000 0.851 3254 L CB -0.240 41.839 42.059 0.034 0.000 0.959 3254 L HN 0.031 nan 8.230 nan 0.000 0.451 3255 S N -3.258 112.445 115.700 0.005 0.000 2.663 3255 S HA 0.179 4.649 4.470 0.000 0.000 0.243 3255 S C 0.503 175.093 174.600 -0.017 0.000 1.009 3255 S CA -0.558 57.646 58.200 0.007 0.000 0.988 3255 S CB 0.179 63.382 63.200 0.004 0.000 0.896 3255 S HN 0.085 nan 8.310 nan 0.000 0.502 3256 T N 2.824 117.354 114.554 -0.040 0.000 2.855 3256 T HA 0.598 4.948 4.350 0.000 0.000 0.281 3256 T C -0.569 174.109 174.700 -0.036 0.000 1.007 3256 T CA -0.593 61.462 62.100 -0.074 0.000 1.009 3256 T CB 1.326 70.077 68.868 -0.195 0.000 0.983 3256 T HN 0.254 nan 8.240 nan 0.000 0.455 3257 L N 3.037 124.238 121.223 -0.037 0.000 2.295 3257 L HA 0.489 4.829 4.340 0.000 0.000 0.285 3257 L C -0.995 175.944 176.870 0.115 0.000 1.035 3257 L CA -1.122 53.672 54.840 -0.075 0.000 0.806 3257 L CB 0.820 42.725 42.059 -0.256 0.000 1.214 3257 L HN 0.625 nan 8.230 nan 0.000 0.426 3258 Y N 4.265 124.603 120.300 0.062 0.000 2.402 3258 Y HA 0.484 5.034 4.550 0.000 0.000 0.332 3258 Y C -0.878 174.967 175.900 -0.092 0.000 0.960 3258 Y CA -1.156 57.040 58.100 0.160 0.000 1.228 3258 Y CB 0.620 39.307 38.460 0.379 0.000 1.120 3258 Y HN 0.529 nan 8.280 nan 0.000 0.491 3259 N N 5.064 123.329 118.700 -0.725 0.000 2.312 3259 N HA 0.551 5.291 4.740 0.000 0.000 0.296 3259 N C -1.893 173.108 175.510 -0.847 0.000 1.193 3259 N CA -0.627 51.925 53.050 -0.830 0.000 0.773 3259 N CB 2.307 40.304 38.487 -0.817 0.000 1.435 3259 N HN 0.486 nan 8.380 nan 0.000 0.484 3260 L N 0.732 121.659 121.223 -0.494 0.000 2.346 3260 L HA 0.521 4.861 4.340 0.000 0.000 0.276 3260 L C 0.029 176.885 176.870 -0.023 0.000 1.006 3260 L CA -0.212 54.508 54.840 -0.200 0.000 0.817 3260 L CB 1.442 43.347 42.059 -0.256 0.000 1.272 3260 L HN 0.478 nan 8.230 nan 0.000 0.421 3261 E N 2.075 122.399 120.200 0.207 0.000 2.412 3261 E HA 0.476 4.826 4.350 0.000 0.000 0.279 3261 E C -1.537 175.154 176.600 0.152 0.000 0.984 3261 E CA -0.915 55.602 56.400 0.195 0.000 0.788 3261 E CB 2.972 32.854 29.700 0.303 0.000 1.277 3261 E HN 0.644 nan 8.360 nan 0.000 0.455 3262 N N -0.133 118.593 118.700 0.043 0.000 2.455 3262 N HA 0.533 5.273 4.740 0.000 0.000 0.278 3262 N C -1.268 174.271 175.510 0.049 0.000 1.291 3262 N CA -0.575 52.431 53.050 -0.073 0.000 0.780 3262 N CB 2.115 40.434 38.487 -0.279 0.000 1.520 3262 N HN 0.490 nan 8.380 nan 0.000 0.486 3263 S N -1.248 114.491 115.700 0.064 0.000 2.656 3263 S HA 0.862 5.332 4.470 0.000 0.000 0.273 3263 S C -1.496 173.175 174.600 0.117 0.000 1.168 3263 S CA -0.959 57.308 58.200 0.110 0.000 0.817 3263 S CB 1.240 64.530 63.200 0.150 0.000 1.146 3263 S HN 1.036 nan 8.310 nan 0.000 0.475 3264 A N 0.947 123.841 122.820 0.124 0.000 2.355 3264 A HA 0.809 5.129 4.320 0.000 0.000 0.317 3264 A C -1.027 176.636 177.584 0.132 0.000 1.094 3264 A CA -0.677 51.439 52.037 0.132 0.000 0.764 3264 A CB 1.258 20.337 19.000 0.132 0.000 1.230 3264 A HN 0.614 nan 8.150 nan 0.000 0.448 3265 Q N 0.389 120.285 119.800 0.161 0.000 2.353 3265 Q HA 0.735 5.075 4.340 0.000 0.000 0.268 3265 Q C -0.554 175.595 176.000 0.248 0.000 1.045 3265 Q CA -0.437 55.505 55.803 0.233 0.000 0.811 3265 Q CB 2.217 31.144 28.738 0.315 0.000 1.305 3265 Q HN 0.978 nan 8.270 nan 0.000 0.447 3266 A N -0.278 122.697 122.820 0.259 0.000 2.435 3266 A HA 0.911 5.231 4.320 0.000 0.000 0.296 3266 A C 0.307 178.036 177.584 0.242 0.000 1.147 3266 A CA -0.168 51.941 52.037 0.121 0.000 0.775 3266 A CB 1.541 20.580 19.000 0.065 0.000 1.340 3266 A HN 0.975 nan 8.150 nan 0.000 0.427 3267 G N -0.859 107.975 108.800 0.057 0.000 2.157 3267 G HA2 0.023 3.983 3.960 0.000 0.000 0.118 3267 G HA3 0.023 3.983 3.960 0.000 0.000 0.118 3267 G C -0.460 174.484 174.900 0.074 0.000 1.032 3267 G CA -0.126 45.079 45.100 0.174 0.000 0.697 3267 G HN 0.741 nan 8.290 nan 0.000 0.495 3268 L N 1.976 123.002 121.223 -0.328 0.000 2.371 3268 L HA 0.734 5.074 4.340 0.000 0.000 0.272 3268 L C 0.901 177.689 176.870 -0.137 0.000 1.124 3268 L CA 0.465 55.071 54.840 -0.390 0.000 0.816 3268 L CB 1.616 43.289 42.059 -0.644 0.000 1.129 3268 L HN 0.403 nan 8.230 nan 0.000 0.448 3269 T N 0.380 114.887 114.554 -0.078 0.000 2.933 3269 T HA 0.537 4.887 4.350 0.000 0.000 0.305 3269 T C -2.831 171.838 174.700 -0.052 0.000 1.092 3269 T CA -2.338 59.736 62.100 -0.043 0.000 1.008 3269 T CB 1.803 70.665 68.868 -0.010 0.000 1.102 3269 T HN 0.140 nan 8.240 nan 0.000 0.469 3270 P HA 0.126 nan 4.420 nan 0.000 0.261 3270 P C 0.217 177.486 177.300 -0.051 0.000 1.173 3270 P CA 0.736 63.809 63.100 -0.046 0.000 0.760 3270 P CB -0.172 31.510 31.700 -0.029 0.000 0.783 3271 N N -1.128 117.527 118.700 -0.076 0.000 2.778 3271 N HA -0.154 4.586 4.740 0.000 0.000 0.249 3271 N C -0.685 174.787 175.510 -0.063 0.000 1.069 3271 N CA 0.295 53.301 53.050 -0.074 0.000 0.831 3271 N CB -1.406 37.060 38.487 -0.035 0.000 1.142 3271 N HN 0.131 nan 8.380 nan 0.000 0.573 3272 V N 0.639 120.513 119.914 -0.066 0.000 2.513 3272 V HA 0.259 4.379 4.120 0.000 0.000 0.299 3272 V C 0.017 176.083 176.094 -0.047 0.000 1.035 3272 V CA -0.711 61.569 62.300 -0.034 0.000 0.889 3272 V CB 1.795 33.616 31.823 -0.003 0.000 0.988 3272 V HN 0.016 nan 8.190 nan 0.000 0.440 3273 D N 3.242 123.627 120.400 -0.024 0.000 2.382 3273 D HA 0.143 4.783 4.640 0.000 0.000 0.259 3273 D C -0.550 175.766 176.300 0.027 0.000 1.224 3273 D CA 0.409 54.395 54.000 -0.023 0.000 0.894 3273 D CB 0.421 41.231 40.800 0.017 0.000 1.127 3273 D HN 0.350 nan 8.370 nan 0.000 0.487 3274 F N 3.664 123.524 119.950 -0.151 0.000 2.391 3274 F HA 0.305 4.832 4.527 0.000 0.000 0.359 3274 F C -0.623 175.119 175.800 -0.096 0.000 1.122 3274 F CA -0.745 57.180 58.000 -0.126 0.000 1.120 3274 F CB 0.726 39.622 39.000 -0.174 0.000 1.142 3274 F HN -0.004 nan 8.300 nan 0.000 0.483 3275 V N 7.065 126.721 119.914 -0.429 0.000 2.384 3275 V HA 0.363 4.483 4.120 0.000 0.000 0.287 3275 V C -0.579 175.272 176.094 -0.404 0.000 1.020 3275 V CA -0.875 61.244 62.300 -0.301 0.000 0.850 3275 V CB 1.453 33.170 31.823 -0.178 0.000 0.987 3275 V HN 0.483 nan 8.190 nan 0.000 0.436 3276 V N 5.310 125.084 119.914 -0.233 0.000 2.311 3276 V HA 0.308 4.428 4.120 0.000 0.000 0.275 3276 V C 0.197 176.173 176.094 -0.197 0.000 1.022 3276 V CA -0.699 61.476 62.300 -0.208 0.000 0.830 3276 V CB 1.099 32.870 31.823 -0.086 0.000 1.012 3276 V HN 0.805 nan 8.190 nan 0.000 0.452 3277 Q N 2.866 122.559 119.800 -0.178 0.000 2.364 3277 Q HA 0.211 4.551 4.340 0.000 0.000 0.267 3277 Q C -0.679 175.182 176.000 -0.231 0.000 0.999 3277 Q CA 0.115 55.836 55.803 -0.136 0.000 0.886 3277 Q CB 0.872 29.557 28.738 -0.088 0.000 1.243 3277 Q HN 0.623 nan 8.270 nan 0.000 0.415 3278 Y N -0.032 120.164 120.300 -0.174 0.000 2.402 3278 Y HA 0.130 4.680 4.550 0.000 0.000 0.333 3278 Y C 0.936 176.706 175.900 -0.217 0.000 1.076 3278 Y CA -0.233 57.637 58.100 -0.384 0.000 1.299 3278 Y CB 0.777 38.932 38.460 -0.508 0.000 1.197 3278 Y HN 0.673 nan 8.280 nan 0.000 0.517 3279 A N 3.829 126.601 122.820 -0.079 0.000 2.900 3279 A HA 0.228 4.548 4.320 0.000 0.000 0.246 3279 A C 1.130 178.619 177.584 -0.158 0.000 1.725 3279 A CA 0.545 52.517 52.037 -0.108 0.000 1.400 3279 A CB -2.168 16.720 19.000 -0.186 0.000 0.973 3279 A HN 1.122 nan 8.150 nan 0.000 0.635 3280 N N -1.010 117.676 118.700 -0.024 0.000 3.699 3280 N HA -0.059 4.681 4.740 0.000 0.000 0.355 3280 N C 0.851 176.272 175.510 -0.150 0.000 1.094 3280 N CA 1.119 54.137 53.050 -0.054 0.000 2.627 3280 N CB -0.567 37.861 38.487 -0.098 0.000 0.583 3280 N HN 1.383 nan 8.380 nan 0.000 0.831 3281 L N -2.826 118.362 121.223 -0.058 0.000 3.898 3281 L HA -0.210 4.130 4.340 0.000 0.000 0.382 3281 L C 0.874 177.943 176.870 0.332 0.000 0.711 3281 L CA 2.133 57.023 54.840 0.084 0.000 2.828 3281 L CB -2.113 39.933 42.059 -0.022 0.000 0.852 3281 L HN 0.915 nan 8.230 nan 0.000 0.694 3282 Y N 0.094 120.400 120.300 0.009 0.000 2.326 3282 Y HA 0.359 4.909 4.550 0.000 0.000 0.333 3282 Y C 1.018 176.895 175.900 -0.040 0.000 1.240 3282 Y CA -0.803 57.150 58.100 -0.246 0.000 1.365 3282 Y CB 0.422 38.237 38.460 -1.074 0.000 1.289 3282 Y HN -0.030 nan 8.280 nan 0.000 0.548 3283 R N 2.489 123.060 120.500 0.117 0.000 2.278 3283 R HA 0.212 4.552 4.340 0.000 0.000 0.322 3283 R C -1.804 174.553 176.300 0.094 0.000 1.058 3283 R CA -0.496 55.676 56.100 0.120 0.000 0.991 3283 R CB 0.120 30.429 30.300 0.014 0.000 1.140 3283 R HN 0.482 nan 8.270 nan 0.000 0.518 3284 Y N 3.269 123.688 120.300 0.198 0.000 2.531 3284 Y HA 0.024 4.574 4.550 0.000 0.000 0.347 3284 Y C 1.324 177.300 175.900 0.127 0.000 1.024 3284 Y CA -0.227 58.005 58.100 0.221 0.000 1.306 3284 Y CB 0.471 39.075 38.460 0.241 0.000 1.149 3284 Y HN 0.483 nan 8.280 nan 0.000 0.527 3285 L N 1.905 123.253 121.223 0.207 0.000 2.162 3285 L HA 0.013 4.353 4.340 0.000 0.000 0.205 3285 L C 0.797 177.786 176.870 0.199 0.000 1.086 3285 L CA 0.677 55.578 54.840 0.102 0.000 0.778 3285 L CB -0.132 41.896 42.059 -0.052 0.000 0.928 3285 L HN 0.624 nan 8.230 nan 0.000 0.446 3286 S N -2.048 113.835 115.700 0.304 0.000 2.570 3286 S HA 0.596 5.066 4.470 0.000 0.000 0.270 3286 S C -0.627 174.188 174.600 0.357 0.000 1.149 3286 S CA -0.699 57.657 58.200 0.259 0.000 0.837 3286 S CB 2.344 65.741 63.200 0.327 0.000 1.124 3286 S HN -0.074 nan 8.310 nan 0.000 0.465 3287 T N 1.986 116.666 114.554 0.210 0.000 2.921 3287 T HA 0.594 4.944 4.350 0.000 0.000 0.297 3287 T C -0.929 173.764 174.700 -0.011 0.000 1.013 3287 T CA -0.418 61.757 62.100 0.125 0.000 0.990 3287 T CB 0.864 69.835 68.868 0.170 0.000 1.023 3287 T HN 0.660 nan 8.240 nan 0.000 0.447 3288 I N 2.338 122.844 120.570 -0.108 0.000 2.465 3288 I HA 0.701 4.871 4.170 0.000 0.000 0.291 3288 I C -0.273 175.714 176.117 -0.216 0.000 1.014 3288 I CA -1.007 60.267 61.300 -0.045 0.000 1.093 3288 I CB 1.717 39.788 38.000 0.119 0.000 1.267 3288 I HN 0.717 nan 8.210 nan 0.000 0.431 3289 A N 6.499 129.233 122.820 -0.144 0.000 2.335 3289 A HA 0.736 5.056 4.320 0.000 0.000 0.304 3289 A C -1.002 176.658 177.584 0.127 0.000 1.118 3289 A CA -0.471 51.497 52.037 -0.116 0.000 0.757 3289 A CB 1.287 20.138 19.000 -0.250 0.000 1.188 3289 A HN 0.406 nan 8.150 nan 0.000 0.460 3290 V N 3.446 123.450 119.914 0.149 0.000 2.347 3290 V HA 0.292 4.412 4.120 0.000 0.000 0.280 3290 V C -0.619 175.650 176.094 0.292 0.000 1.021 3290 V CA -0.399 62.030 62.300 0.215 0.000 0.847 3290 V CB 1.126 33.032 31.823 0.138 0.000 0.990 3290 V HN 0.779 nan 8.190 nan 0.000 0.444 3291 F N 5.330 125.361 119.950 0.136 0.000 2.515 3291 F HA 0.355 4.882 4.527 0.000 0.000 0.353 3291 F C 0.468 176.136 175.800 -0.220 0.000 1.213 3291 F CA -1.753 56.246 58.000 -0.001 0.000 1.194 3291 F CB 0.133 39.165 39.000 0.054 0.000 1.488 3291 F HN 0.605 nan 8.300 nan 0.000 0.619 3292 D N 4.166 124.536 120.400 -0.050 0.000 2.435 3292 D HA -0.024 4.616 4.640 0.000 0.000 0.230 3292 D C -0.099 175.879 176.300 -0.537 0.000 1.215 3292 D CA 0.055 53.696 54.000 -0.598 0.000 0.947 3292 D CB -0.308 40.375 40.800 -0.195 0.000 1.048 3292 D HN 0.253 nan 8.370 nan 0.000 0.512 3293 N N 2.830 120.975 118.700 -0.924 0.000 3.050 3293 N HA 0.205 4.945 4.740 0.000 0.000 0.289 3293 N C 0.791 176.014 175.510 -0.478 0.000 1.209 3293 N CA 0.456 53.023 53.050 -0.805 0.000 1.154 3293 N CB -0.443 37.355 38.487 -1.148 0.000 1.444 3293 N HN 0.613 nan 8.380 nan 0.000 0.529 3294 G N 0.920 109.533 108.800 -0.313 0.000 2.273 3294 G HA2 -0.215 3.745 3.960 0.000 0.000 0.280 3294 G HA3 -0.215 3.745 3.960 0.000 0.000 0.280 3294 G C 0.955 175.733 174.900 -0.204 0.000 1.047 3294 G CA 0.523 45.501 45.100 -0.202 0.000 0.869 3294 G HN 1.121 nan 8.290 nan 0.000 0.502 3295 G N -2.405 106.228 108.800 -0.278 0.000 2.195 3295 G HA2 -0.043 3.917 3.960 0.000 0.000 0.246 3295 G HA3 -0.043 3.917 3.960 0.000 0.000 0.246 3295 G C 0.430 175.215 174.900 -0.192 0.000 0.984 3295 G CA 0.654 45.664 45.100 -0.150 0.000 0.633 3295 G HN 1.726 nan 8.290 nan 0.000 0.525 3296 S N 0.141 115.597 115.700 -0.408 0.000 2.489 3296 S HA 0.765 5.235 4.470 0.000 0.000 0.291 3296 S C -0.818 173.398 174.600 -0.639 0.000 1.151 3296 S CA -0.325 57.679 58.200 -0.326 0.000 1.082 3296 S CB 0.872 63.910 63.200 -0.271 0.000 1.019 3296 S HN 0.304 nan 8.310 nan 0.000 0.492 3297 F N 2.973 122.815 119.950 -0.181 0.000 2.445 3297 F HA 0.437 4.964 4.527 0.000 0.000 0.348 3297 F C 0.458 176.191 175.800 -0.111 0.000 1.125 3297 F CA -0.859 57.042 58.000 -0.164 0.000 0.983 3297 F CB 1.138 40.044 39.000 -0.156 0.000 1.198 3297 F HN 0.385 nan 8.300 nan 0.000 0.436 3298 N N 1.459 120.150 118.700 -0.015 0.000 2.417 3298 N HA 0.491 5.231 4.740 0.000 0.000 0.300 3298 N C -0.428 175.144 175.510 0.102 0.000 1.102 3298 N CA -0.677 52.385 53.050 0.020 0.000 0.886 3298 N CB 2.219 40.679 38.487 -0.045 0.000 1.203 3298 N HN 0.568 nan 8.380 nan 0.000 0.496 3299 A N 0.664 123.543 122.820 0.099 0.000 3.063 3299 A HA 0.456 4.776 4.320 0.000 0.000 0.263 3299 A C 1.359 179.051 177.584 0.179 0.000 1.736 3299 A CA 0.329 52.445 52.037 0.132 0.000 1.408 3299 A CB -1.425 17.633 19.000 0.096 0.000 1.108 3299 A HN 0.911 nan 8.150 nan 0.000 0.621 3300 G N 1.094 110.062 108.800 0.280 0.000 2.302 3300 G HA2 -0.423 3.537 3.960 0.000 0.000 0.263 3300 G HA3 -0.423 3.537 3.960 0.000 0.000 0.263 3300 G C 1.358 176.338 174.900 0.133 0.000 0.995 3300 G CA 1.569 46.822 45.100 0.256 0.000 0.622 3300 G HN 1.577 nan 8.290 nan 0.000 0.538 3301 T N -0.691 113.923 114.554 0.100 0.000 3.025 3301 T HA 0.040 4.390 4.350 0.000 0.000 0.270 3301 T C 1.487 176.211 174.700 0.040 0.000 1.126 3301 T CA 1.876 64.010 62.100 0.057 0.000 1.105 3301 T CB -0.234 68.657 68.868 0.039 0.000 0.884 3301 T HN 0.622 nan 8.240 nan 0.000 0.522 3302 D N 0.308 120.742 120.400 0.056 0.000 2.368 3302 D HA 0.250 4.890 4.640 0.000 0.000 0.218 3302 D C 0.173 176.547 176.300 0.123 0.000 1.112 3302 D CA -0.497 53.542 54.000 0.065 0.000 0.834 3302 D CB -0.284 40.514 40.800 -0.004 0.000 0.953 3302 D HN 0.482 nan 8.370 nan 0.000 0.505 3303 I N 0.469 121.069 120.570 0.050 0.000 2.545 3303 I HA 0.223 4.393 4.170 0.000 0.000 0.292 3303 I C 0.601 176.660 176.117 -0.097 0.000 1.040 3303 I CA -0.863 60.396 61.300 -0.067 0.000 1.068 3303 I CB 2.147 40.049 38.000 -0.162 0.000 1.251 3303 I HN -0.270 nan 8.210 nan 0.000 0.424 3304 N N 3.817 122.408 118.700 -0.182 0.000 2.220 3304 N HA 0.012 4.752 4.740 0.000 0.000 0.182 3304 N C -0.577 174.922 175.510 -0.018 0.000 1.023 3304 N CA 1.346 54.328 53.050 -0.115 0.000 0.856 3304 N CB 0.282 38.653 38.487 -0.194 0.000 0.997 3304 N HN 0.626 nan 8.380 nan 0.000 0.429 3305 Y N -1.858 118.364 120.300 -0.129 0.000 2.713 3305 Y HA 0.642 5.192 4.550 0.000 0.000 0.335 3305 Y C -1.772 173.957 175.900 -0.285 0.000 1.222 3305 Y CA -1.462 56.546 58.100 -0.153 0.000 1.061 3305 Y CB 0.485 38.894 38.460 -0.085 0.000 1.314 3305 Y HN -0.281 nan 8.280 nan 0.000 0.453 3306 L N 1.601 122.775 121.223 -0.081 0.000 2.333 3306 L HA 0.927 5.267 4.340 0.000 0.000 0.263 3306 L C -0.142 176.611 176.870 -0.195 0.000 1.014 3306 L CA -0.545 54.008 54.840 -0.478 0.000 0.820 3306 L CB 2.219 43.499 42.059 -1.298 0.000 1.352 3306 L HN 0.897 nan 8.230 nan 0.000 0.421 3307 S N -0.158 115.326 115.700 -0.360 0.000 2.636 3307 S HA 0.547 5.017 4.470 0.000 0.000 0.266 3307 S C -2.095 172.388 174.600 -0.195 0.000 1.147 3307 S CA -0.635 57.533 58.200 -0.054 0.000 0.815 3307 S CB 1.533 64.725 63.200 -0.014 0.000 1.119 3307 S HN 0.576 nan 8.310 nan 0.000 0.470 3308 Q N 1.243 121.040 119.800 -0.004 0.000 2.330 3308 Q HA 0.542 4.882 4.340 0.000 0.000 0.269 3308 Q C -0.948 175.050 176.000 -0.003 0.000 1.022 3308 Q CA -0.583 55.243 55.803 0.038 0.000 0.796 3308 Q CB 2.253 31.062 28.738 0.120 0.000 1.271 3308 Q HN 0.551 nan 8.270 nan 0.000 0.450 3309 R N 1.105 121.608 120.500 0.004 0.000 2.686 3309 R HA 0.556 4.896 4.340 0.000 0.000 0.283 3309 R C -0.849 175.437 176.300 -0.024 0.000 0.978 3309 R CA -0.227 55.858 56.100 -0.025 0.000 0.897 3309 R CB 1.704 31.990 30.300 -0.024 0.000 1.192 3309 R HN 0.743 nan 8.270 nan 0.000 0.457 3310 T N 0.049 114.568 114.554 -0.058 0.000 2.948 3310 T HA 0.581 4.931 4.350 0.000 0.000 0.285 3310 T C 0.218 174.904 174.700 -0.024 0.000 1.019 3310 T CA -0.751 61.316 62.100 -0.055 0.000 1.013 3310 T CB 1.570 70.366 68.868 -0.121 0.000 1.117 3310 T HN 0.646 nan 8.240 nan 0.000 0.533 3311 A N 0.917 123.735 122.820 -0.003 0.000 2.535 3311 A HA 0.510 4.830 4.320 0.000 0.000 0.290 3311 A C 1.316 178.896 177.584 -0.007 0.000 1.270 3311 A CA 0.421 52.457 52.037 -0.001 0.000 0.937 3311 A CB -2.207 16.799 19.000 0.010 0.000 1.096 3311 A HN 1.978 nan 8.150 nan 0.000 0.534 3312 N N 0.009 118.700 118.700 -0.015 0.000 2.542 3312 N HA 0.378 5.118 4.740 0.000 0.000 0.218 3312 N C 1.127 176.623 175.510 -0.023 0.000 1.607 3312 N CA 0.808 53.847 53.050 -0.017 0.000 3.190 3312 N CB -1.914 36.562 38.487 -0.018 0.000 1.504 3312 N HN 2.273 nan 8.380 nan 0.000 1.106 3313 F N -0.289 119.646 119.950 -0.024 0.000 3.048 3313 F HA -0.097 4.430 4.527 0.000 0.000 0.287 3313 F C 1.019 176.797 175.800 -0.037 0.000 0.796 3313 F CA 1.777 59.761 58.000 -0.027 0.000 1.111 3313 F CB -2.197 36.790 39.000 -0.023 0.000 1.320 3313 F HN 1.533 nan 8.300 nan 0.000 0.430 3314 S N 1.414 117.090 115.700 -0.041 0.000 2.439 3314 S HA 0.458 4.928 4.470 0.000 0.000 0.282 3314 S C -0.305 174.259 174.600 -0.061 0.000 1.170 3314 S CA -0.002 58.168 58.200 -0.050 0.000 1.054 3314 S CB 0.306 63.477 63.200 -0.049 0.000 0.956 3314 S HN 0.486 nan 8.310 nan 0.000 0.490 3315 D N 3.405 123.766 120.400 -0.065 0.000 2.264 3315 D HA 0.148 4.788 4.640 0.000 0.000 0.250 3315 D C 1.126 177.388 176.300 -0.063 0.000 1.113 3315 D CA -0.008 53.952 54.000 -0.066 0.000 0.871 3315 D CB 1.754 42.505 40.800 -0.083 0.000 1.167 3315 D HN 0.713 nan 8.370 nan 0.000 0.447 3316 T N -0.451 114.067 114.554 -0.060 0.000 3.065 3316 T HA 0.004 4.354 4.350 0.000 0.000 0.252 3316 T C 0.977 175.651 174.700 -0.044 0.000 1.099 3316 T CA -0.121 61.942 62.100 -0.062 0.000 1.063 3316 T CB 0.171 68.989 68.868 -0.084 0.000 0.948 3316 T HN 0.592 nan 8.240 nan 0.000 0.506 3317 R N 0.275 120.764 120.500 -0.019 0.000 2.714 3317 R HA 0.310 4.650 4.340 0.000 0.000 0.214 3317 R C -0.867 175.482 176.300 0.082 0.000 1.474 3317 R CA -0.648 55.455 56.100 0.004 0.000 1.435 3317 R CB -0.317 29.959 30.300 -0.041 0.000 1.517 3317 R HN 0.085 nan 8.270 nan 0.000 0.748 3318 K N 2.985 123.391 120.400 0.010 0.000 2.292 3318 K HA 0.279 4.599 4.320 0.000 0.000 0.290 3318 K C -0.946 175.663 176.600 0.015 0.000 1.083 3318 K CA -0.168 56.101 56.287 -0.030 0.000 0.918 3318 K CB 0.432 32.807 32.500 -0.209 0.000 1.089 3318 K HN 0.447 nan 8.250 nan 0.000 0.473 3319 L N 3.382 124.707 121.223 0.170 0.000 2.370 3319 L HA 0.354 4.694 4.340 0.000 0.000 0.266 3319 L C -0.289 176.714 176.870 0.223 0.000 1.002 3319 L CA -1.384 53.578 54.840 0.204 0.000 0.818 3319 L CB 1.924 44.166 42.059 0.305 0.000 1.325 3319 L HN 0.716 nan 8.230 nan 0.000 0.418 3320 D N 0.708 121.211 120.400 0.171 0.000 2.368 3320 D HA 0.127 4.767 4.640 0.000 0.000 0.240 3320 D C -2.097 174.312 176.300 0.181 0.000 1.169 3320 D CA -1.143 52.950 54.000 0.155 0.000 0.906 3320 D CB 0.626 41.497 40.800 0.118 0.000 1.187 3320 D HN 0.208 nan 8.370 nan 0.000 0.435 3321 P HA -0.196 nan 4.420 nan 0.000 0.216 3321 P C 1.006 178.468 177.300 0.271 0.000 1.153 3321 P CA 1.499 64.695 63.100 0.159 0.000 0.858 3321 P CB 0.112 31.869 31.700 0.095 0.000 0.789 3322 K N -1.210 119.313 120.400 0.204 0.000 2.097 3322 K HA -0.048 4.272 4.320 0.000 0.000 0.205 3322 K C 1.914 178.633 176.600 0.199 0.000 1.050 3322 K CA 1.541 57.944 56.287 0.193 0.000 0.938 3322 K CB -0.626 31.954 32.500 0.134 0.000 0.718 3322 K HN 0.164 nan 8.250 nan 0.000 0.442 3323 T N 0.472 115.141 114.554 0.192 0.000 2.904 3323 T HA -0.143 4.207 4.350 0.000 0.000 0.267 3323 T C 1.184 176.007 174.700 0.205 0.000 1.059 3323 T CA 0.600 62.796 62.100 0.161 0.000 1.137 3323 T CB -0.133 68.810 68.868 0.126 0.000 0.879 3323 T HN 0.427 nan 8.240 nan 0.000 0.467 3324 W N 2.275 123.641 121.300 0.109 0.000 2.355 3324 W HA -0.089 4.571 4.660 0.000 0.000 0.309 3324 W C 2.467 179.103 176.519 0.196 0.000 1.206 3324 W CA 1.296 58.727 57.345 0.143 0.000 1.284 3324 W CB -0.636 28.912 29.460 0.148 0.000 1.145 3324 W HN 0.292 nan 8.180 nan 0.000 0.502 3325 A N 0.942 124.056 122.820 0.491 0.000 1.933 3325 A HA -0.087 4.233 4.320 0.000 0.000 0.218 3325 A C 2.199 179.905 177.584 0.203 0.000 1.175 3325 A CA 2.680 54.942 52.037 0.376 0.000 0.628 3325 A CB -1.254 17.940 19.000 0.323 0.000 0.814 3325 A HN 0.305 nan 8.150 nan 0.000 0.444 3326 A N -0.822 122.088 122.820 0.150 0.000 1.908 3326 A HA -0.212 4.108 4.320 0.000 0.000 0.218 3326 A C 2.093 179.707 177.584 0.050 0.000 1.181 3326 A CA 1.745 53.833 52.037 0.085 0.000 0.627 3326 A CB -0.485 18.556 19.000 0.069 0.000 0.818 3326 A HN 0.514 nan 8.150 nan 0.000 0.445 3327 Q N -0.538 119.267 119.800 0.009 0.000 2.124 3327 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 3327 Q C 2.112 178.128 176.000 0.026 0.000 0.977 3327 Q CA 1.983 57.761 55.803 -0.041 0.000 0.850 3327 Q CB -1.218 27.407 28.738 -0.188 0.000 0.901 3327 Q HN 0.646 nan 8.270 nan 0.000 0.429 3328 T N 1.035 115.644 114.554 0.092 0.000 2.821 3328 T HA -0.050 4.300 4.350 0.000 0.000 0.267 3328 T C 1.808 176.571 174.700 0.105 0.000 1.046 3328 T CA 0.705 62.932 62.100 0.212 0.000 1.139 3328 T CB -0.033 69.061 68.868 0.375 0.000 0.871 3328 T HN 0.257 nan 8.240 nan 0.000 0.454 3329 R N 0.703 121.245 120.500 0.070 0.000 2.152 3329 R HA 0.039 4.379 4.340 0.000 0.000 0.232 3329 R C 2.441 178.746 176.300 0.009 0.000 1.117 3329 R CA 0.745 56.856 56.100 0.019 0.000 0.981 3329 R CB -0.047 30.270 30.300 0.027 0.000 0.870 3329 R HN 0.210 nan 8.270 nan 0.000 0.451 3330 R N 0.132 120.648 120.500 0.026 0.000 2.189 3330 R HA 0.021 4.361 4.340 0.000 0.000 0.218 3330 R C 1.886 178.202 176.300 0.026 0.000 1.074 3330 R CA 0.714 56.825 56.100 0.019 0.000 0.991 3330 R CB 0.027 30.338 30.300 0.020 0.000 0.883 3330 R HN 0.163 nan 8.270 nan 0.000 0.457 3331 R N 0.506 121.036 120.500 0.050 0.000 2.105 3331 R HA 0.140 4.480 4.340 0.000 0.000 0.214 3331 R C 2.051 178.344 176.300 -0.012 0.000 1.091 3331 R CA 0.837 56.977 56.100 0.066 0.000 1.007 3331 R CB -0.035 30.383 30.300 0.197 0.000 0.912 3331 R HN 0.311 nan 8.270 nan 0.000 0.450 3332 I N -3.758 116.763 120.570 -0.082 0.000 4.050 3332 I HA 0.472 4.642 4.170 0.000 0.000 0.327 3332 I C 0.486 176.513 176.117 -0.150 0.000 1.473 3332 I CA 0.103 61.300 61.300 -0.173 0.000 1.124 3332 I CB 0.835 38.600 38.000 -0.392 0.000 1.129 3332 I HN -0.026 nan 8.210 nan 0.000 0.428 3333 A N 0.246 123.010 122.820 -0.092 0.000 2.861 3333 A HA -0.222 4.098 4.320 0.000 0.000 0.261 3333 A C 0.651 178.188 177.584 -0.079 0.000 1.351 3333 A CA 1.707 53.702 52.037 -0.070 0.000 0.904 3333 A CB -2.288 16.674 19.000 -0.064 0.000 1.076 3333 A HN 0.804 nan 8.150 nan 0.000 0.729 3334 T N -1.895 112.593 114.554 -0.110 0.000 2.654 3334 T HA 0.497 4.847 4.350 0.000 0.000 0.303 3334 T C -2.136 172.484 174.700 -0.132 0.000 1.656 3334 T CA 0.136 62.175 62.100 -0.102 0.000 0.971 3334 T CB 0.937 69.737 68.868 -0.114 0.000 1.811 3334 T HN 0.285 nan 8.240 nan 0.000 0.483 3335 D N 0.557 120.899 120.400 -0.096 0.000 2.217 3335 D HA 0.516 5.156 4.640 0.000 0.000 0.248 3335 D C -0.293 175.920 176.300 -0.145 0.000 1.008 3335 D CA -0.132 53.831 54.000 -0.061 0.000 0.914 3335 D CB 0.830 41.647 40.800 0.030 0.000 1.182 3335 D HN 0.338 nan 8.370 nan 0.000 0.451 3336 F N 0.582 120.475 119.950 -0.096 0.000 2.399 3336 F HA 0.217 4.744 4.527 0.000 0.000 0.313 3336 F C -1.337 174.369 175.800 -0.158 0.000 1.202 3336 F CA -1.256 56.611 58.000 -0.222 0.000 1.192 3336 F CB 0.058 38.820 39.000 -0.396 0.000 1.256 3336 F HN 0.062 nan 8.300 nan 0.000 0.558 3337 P HA -0.010 nan 4.420 nan 0.000 0.270 3337 P C -1.156 176.180 177.300 0.061 0.000 1.227 3337 P CA -0.255 62.916 63.100 0.118 0.000 0.788 3337 P CB 0.333 32.203 31.700 0.282 0.000 0.926 3338 K N 1.173 121.615 120.400 0.070 0.000 2.530 3338 K HA 0.106 4.426 4.320 0.000 0.000 0.280 3338 K C 1.299 177.960 176.600 0.101 0.000 1.004 3338 K CA 1.287 57.615 56.287 0.069 0.000 1.071 3338 K CB -0.764 31.794 32.500 0.097 0.000 0.876 3338 K HN 0.861 nan 8.250 nan 0.000 0.487 3339 G N 1.184 109.990 108.800 0.010 0.000 2.179 3339 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 3339 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 3339 G C 0.032 174.846 174.900 -0.143 0.000 0.977 3339 G CA 0.075 45.224 45.100 0.082 0.000 0.641 3339 G HN 0.431 nan 8.290 nan 0.000 0.533 3340 V N 1.049 120.732 119.914 -0.385 0.000 2.370 3340 V HA 0.646 4.766 4.120 0.000 0.000 0.279 3340 V C -0.269 175.440 176.094 -0.641 0.000 1.029 3340 V CA -0.771 61.301 62.300 -0.380 0.000 0.870 3340 V CB 0.814 32.412 31.823 -0.375 0.000 0.984 3340 V HN 0.255 nan 8.190 nan 0.000 0.451 3341 Y N 4.180 124.518 120.300 0.064 0.000 2.393 3341 Y HA 0.618 5.168 4.550 0.000 0.000 0.341 3341 Y C -0.502 175.571 175.900 0.289 0.000 0.988 3341 Y CA -0.778 57.459 58.100 0.228 0.000 1.078 3341 Y CB 1.832 40.349 38.460 0.095 0.000 1.203 3341 Y HN 0.633 nan 8.280 nan 0.000 0.453 3342 Y N 2.237 122.835 120.300 0.497 0.000 2.468 3342 Y HA 0.675 5.225 4.550 0.000 0.000 0.342 3342 Y C -1.200 175.018 175.900 0.530 0.000 1.021 3342 Y CA -1.832 56.462 58.100 0.324 0.000 1.079 3342 Y CB 1.734 40.297 38.460 0.171 0.000 1.226 3342 Y HN 0.800 nan 8.280 nan 0.000 0.460 3343 C N 6.599 125.672 119.300 -0.378 0.000 2.505 3343 C HA 0.362 4.822 4.460 0.000 0.000 0.342 3343 C C -1.317 173.302 174.990 -0.619 0.000 1.121 3343 C CA -0.715 58.137 59.018 -0.277 0.000 1.306 3343 C CB -0.052 27.909 27.740 0.369 0.000 1.897 3343 C HN 0.888 nan 8.230 nan 0.000 0.446 3344 D N 3.905 124.003 120.400 -0.503 0.000 2.280 3344 D HA 0.301 4.941 4.640 0.000 0.000 0.243 3344 D C 0.104 176.375 176.300 -0.050 0.000 1.129 3344 D CA 0.320 54.193 54.000 -0.212 0.000 0.848 3344 D CB 0.763 41.568 40.800 0.007 0.000 1.107 3344 D HN 0.713 nan 8.370 nan 0.000 0.471 3345 N N 3.416 122.130 118.700 0.024 0.000 2.377 3345 N HA 0.093 4.833 4.740 0.000 0.000 0.259 3345 N C 1.105 176.653 175.510 0.063 0.000 1.332 3345 N CA -0.163 52.916 53.050 0.050 0.000 0.877 3345 N CB 0.701 39.232 38.487 0.074 0.000 1.299 3345 N HN 0.357 nan 8.380 nan 0.000 0.501 3346 R N 0.541 121.084 120.500 0.072 0.000 2.083 3346 R HA -0.068 4.272 4.340 0.000 0.000 0.237 3346 R C 0.726 177.045 176.300 0.031 0.000 1.137 3346 R CA 1.292 57.428 56.100 0.059 0.000 0.951 3346 R CB 0.059 30.435 30.300 0.127 0.000 0.851 3346 R HN 0.069 nan 8.270 nan 0.000 0.434 3347 D N 0.229 120.656 120.400 0.045 0.000 2.224 3347 D HA -0.029 4.611 4.640 0.000 0.000 0.205 3347 D C 0.135 176.459 176.300 0.040 0.000 0.965 3347 D CA 1.250 55.273 54.000 0.038 0.000 0.852 3347 D CB 0.242 41.065 40.800 0.039 0.000 0.947 3347 D HN 0.104 nan 8.370 nan 0.000 0.494 3348 K N 0.638 121.070 120.400 0.054 0.000 2.827 3348 K HA 0.278 4.598 4.320 0.000 0.000 0.186 3348 K C -2.746 173.919 176.600 0.109 0.000 1.093 3348 K CA -1.448 54.888 56.287 0.083 0.000 0.993 3348 K CB 2.387 34.942 32.500 0.091 0.000 1.199 3348 K HN -0.108 nan 8.250 nan 0.000 0.598 3349 P HA -0.059 nan 4.420 nan 0.000 0.265 3349 P C -0.074 177.354 177.300 0.215 0.000 1.187 3349 P CA -0.118 63.056 63.100 0.123 0.000 0.766 3349 P CB 0.450 32.193 31.700 0.071 0.000 0.820 3350 I N 3.732 124.423 120.570 0.201 0.000 2.598 3350 I HA -0.020 4.150 4.170 0.000 0.000 0.284 3350 I C -0.002 176.342 176.117 0.379 0.000 1.140 3350 I CA 0.368 61.784 61.300 0.194 0.000 1.420 3350 I CB -1.076 36.730 38.000 -0.324 0.000 1.387 3350 I HN 0.417 nan 8.210 nan 0.000 0.553 3351 Y N 6.534 126.942 120.300 0.180 0.000 2.359 3351 Y HA 0.216 4.766 4.550 0.000 0.000 0.336 3351 Y C 0.321 176.154 175.900 -0.112 0.000 1.098 3351 Y CA -1.335 56.779 58.100 0.025 0.000 1.272 3351 Y CB 0.871 39.288 38.460 -0.071 0.000 1.112 3351 Y HN 0.709 nan 8.280 nan 0.000 0.481 3352 T N 2.334 116.798 114.554 -0.150 0.000 2.903 3352 T HA 0.375 4.725 4.350 0.000 0.000 0.314 3352 T C 0.853 175.222 174.700 -0.551 0.000 1.078 3352 T CA 0.605 62.584 62.100 -0.202 0.000 1.114 3352 T CB 0.825 69.650 68.868 -0.073 0.000 0.987 3352 T HN 0.944 nan 8.240 nan 0.000 0.548 3353 L N -1.106 119.881 121.223 -0.393 0.000 3.294 3353 L HA -0.181 4.159 4.340 0.000 0.000 0.437 3353 L C 1.616 178.252 176.870 -0.391 0.000 0.749 3353 L CA 1.227 55.833 54.840 -0.391 0.000 2.510 3353 L CB -1.497 40.254 42.059 -0.513 0.000 1.159 3353 L HN 0.834 nan 8.230 nan 0.000 0.602 3354 Q N 0.367 119.855 119.800 -0.520 0.000 2.391 3354 Q HA 0.070 4.410 4.340 0.000 0.000 0.243 3354 Q C -0.192 175.564 176.000 -0.407 0.000 0.874 3354 Q CA 0.852 56.356 55.803 -0.498 0.000 0.950 3354 Q CB 0.903 29.226 28.738 -0.691 0.000 1.103 3354 Q HN 0.636 nan 8.270 nan 0.000 0.544 3355 Y N -2.324 117.947 120.300 -0.048 0.000 2.988 3355 Y HA 0.546 5.096 4.550 0.000 0.000 0.241 3355 Y C -0.047 175.829 175.900 -0.040 0.000 0.904 3355 Y CA -0.929 57.152 58.100 -0.031 0.000 1.146 3355 Y CB -0.422 38.031 38.460 -0.011 0.000 1.178 3355 Y HN 0.156 nan 8.280 nan 0.000 0.584 3356 G N 1.763 110.637 108.800 0.122 0.000 2.907 3356 G HA2 -0.275 3.685 3.960 0.000 0.000 0.242 3356 G HA3 -0.275 3.685 3.960 0.000 0.000 0.242 3356 G C -0.336 174.621 174.900 0.094 0.000 1.448 3356 G CA -0.254 44.890 45.100 0.073 0.000 0.911 3356 G HN 0.651 nan 8.290 nan 0.000 0.553 3357 N N -0.864 117.864 118.700 0.047 0.000 2.454 3357 N HA 0.329 5.069 4.740 0.000 0.000 0.254 3357 N C 0.241 175.797 175.510 0.075 0.000 1.228 3357 N CA 0.263 53.343 53.050 0.050 0.000 0.900 3357 N CB 1.398 39.896 38.487 0.018 0.000 1.089 3357 N HN 0.584 nan 8.380 nan 0.000 0.449 3358 V N -0.242 119.742 119.914 0.117 0.000 2.864 3358 V HA 0.825 4.945 4.120 0.000 0.000 0.314 3358 V C 0.598 176.855 176.094 0.272 0.000 1.073 3358 V CA -0.870 61.511 62.300 0.134 0.000 0.956 3358 V CB 2.120 33.981 31.823 0.064 0.000 1.023 3358 V HN 0.811 nan 8.190 nan 0.000 0.435 3359 G N 0.820 109.766 108.800 0.242 0.000 2.612 3359 G HA2 0.652 4.612 3.960 0.000 0.000 0.298 3359 G HA3 0.652 4.612 3.960 0.000 0.000 0.298 3359 G C -1.955 173.097 174.900 0.254 0.000 1.336 3359 G CA -0.587 44.629 45.100 0.195 0.000 0.953 3359 G HN 0.480 nan 8.290 nan 0.000 0.482 3360 F N 1.926 121.875 119.950 -0.001 0.000 2.408 3360 F HA 0.655 5.182 4.527 0.000 0.000 0.344 3360 F C -0.243 175.541 175.800 -0.026 0.000 1.112 3360 F CA -0.476 57.556 58.000 0.052 0.000 1.096 3360 F CB 1.678 40.656 39.000 -0.037 0.000 1.129 3360 F HN 0.282 nan 8.300 nan 0.000 0.486 3361 V N 6.451 126.072 119.914 -0.488 0.000 2.555 3361 V HA 0.599 4.719 4.120 0.000 0.000 0.302 3361 V C -0.868 175.002 176.094 -0.373 0.000 1.038 3361 V CA -0.866 61.267 62.300 -0.278 0.000 0.887 3361 V CB 1.676 33.417 31.823 -0.137 0.000 0.991 3361 V HN 0.574 nan 8.190 nan 0.000 0.434 3362 V N 3.739 123.538 119.914 -0.193 0.000 2.525 3362 V HA 0.467 4.587 4.120 0.000 0.000 0.299 3362 V C -0.410 175.483 176.094 -0.334 0.000 1.034 3362 V CA -0.655 61.459 62.300 -0.309 0.000 0.863 3362 V CB 2.019 33.663 31.823 -0.297 0.000 0.999 3362 V HN 0.886 nan 8.190 nan 0.000 0.423 3363 N N 6.716 125.078 118.700 -0.563 0.000 2.546 3363 N HA 0.376 5.116 4.740 0.000 0.000 0.238 3363 N C -2.776 172.445 175.510 -0.483 0.000 0.984 3363 N CA -1.644 51.046 53.050 -0.601 0.000 0.935 3363 N CB 2.534 40.322 38.487 -1.165 0.000 1.122 3363 N HN 0.344 nan 8.380 nan 0.000 0.510 3364 P HA 0.147 nan 4.420 nan 0.000 0.279 3364 P C 0.163 177.391 177.300 -0.120 0.000 1.239 3364 P CA -0.180 62.791 63.100 -0.215 0.000 0.789 3364 P CB 1.995 33.565 31.700 -0.218 0.000 0.933 3365 K N 1.648 122.017 120.400 -0.051 0.000 2.211 3365 K HA 0.084 4.404 4.320 0.000 0.000 0.201 3365 K C -0.113 176.481 176.600 -0.010 0.000 1.052 3365 K CA 0.897 57.164 56.287 -0.034 0.000 0.973 3365 K CB 0.331 32.819 32.500 -0.019 0.000 0.766 3365 K HN 0.428 nan 8.250 nan 0.000 0.466 3366 T N 0.588 115.156 114.554 0.024 0.000 2.916 3366 T HA 0.408 4.758 4.350 0.000 0.000 0.298 3366 T C -1.537 173.191 174.700 0.046 0.000 1.031 3366 T CA -0.706 61.400 62.100 0.009 0.000 0.993 3366 T CB 2.342 71.198 68.868 -0.021 0.000 1.045 3366 T HN -0.190 nan 8.240 nan 0.000 0.454 3367 V N 4.130 124.051 119.914 0.012 0.000 2.419 3367 V HA 0.412 4.532 4.120 0.000 0.000 0.287 3367 V C -0.348 175.725 176.094 -0.035 0.000 1.017 3367 V CA -1.113 61.202 62.300 0.024 0.000 0.844 3367 V CB 1.501 33.331 31.823 0.011 0.000 1.011 3367 V HN 0.773 nan 8.190 nan 0.000 0.429 3368 N N 2.341 120.994 118.700 -0.080 0.000 2.379 3368 N HA 0.230 4.970 4.740 0.000 0.000 0.260 3368 N C 0.029 175.496 175.510 -0.072 0.000 1.254 3368 N CA -0.489 52.506 53.050 -0.091 0.000 0.958 3368 N CB 0.745 39.149 38.487 -0.139 0.000 1.208 3368 N HN 0.779 nan 8.380 nan 0.000 0.532 3369 Q N 0.575 120.337 119.800 -0.063 0.000 2.337 3369 Q HA -0.015 4.325 4.340 0.000 0.000 0.270 3369 Q C -0.504 175.464 176.000 -0.054 0.000 1.002 3369 Q CA 0.120 55.894 55.803 -0.047 0.000 0.888 3369 Q CB 0.162 28.878 28.738 -0.037 0.000 1.222 3369 Q HN 0.436 nan 8.270 nan 0.000 0.400 3370 N N 0.344 119.020 118.700 -0.040 0.000 2.776 3370 N HA -0.185 4.555 4.740 0.000 0.000 0.249 3370 N C -1.241 174.239 175.510 -0.050 0.000 1.111 3370 N CA 0.954 53.983 53.050 -0.036 0.000 0.711 3370 N CB -1.663 36.805 38.487 -0.032 0.000 1.065 3370 N HN 0.639 nan 8.380 nan 0.000 0.556 3371 A N 0.812 123.602 122.820 -0.051 0.000 2.371 3371 A HA 0.666 4.986 4.320 0.000 0.000 0.257 3371 A C 0.874 178.447 177.584 -0.019 0.000 1.089 3371 A CA 0.194 52.215 52.037 -0.027 0.000 0.794 3371 A CB 0.621 19.644 19.000 0.039 0.000 1.029 3371 A HN 0.463 nan 8.150 nan 0.000 0.488 3372 R N 0.783 121.300 120.500 0.028 0.000 2.690 3372 R HA 0.605 4.945 4.340 0.000 0.000 0.269 3372 R C -2.132 174.196 176.300 0.047 0.000 1.037 3372 R CA -0.928 55.165 56.100 -0.012 0.000 0.877 3372 R CB 0.868 31.184 30.300 0.028 0.000 1.255 3372 R HN 0.455 nan 8.270 nan 0.000 0.467 3373 L N 2.620 123.850 121.223 0.013 0.000 2.296 3373 L HA 0.478 4.818 4.340 0.000 0.000 0.286 3373 L C -0.648 176.291 176.870 0.116 0.000 1.023 3373 L CA -1.034 53.846 54.840 0.066 0.000 0.812 3373 L CB 1.662 43.759 42.059 0.062 0.000 1.223 3373 L HN 0.445 nan 8.230 nan 0.000 0.421 3374 L N 4.834 126.143 121.223 0.143 0.000 2.257 3374 L HA 0.421 4.761 4.340 0.000 0.000 0.290 3374 L C -0.201 176.740 176.870 0.118 0.000 1.044 3374 L CA -0.316 54.643 54.840 0.198 0.000 0.810 3374 L CB 1.108 43.362 42.059 0.325 0.000 1.193 3374 L HN 0.486 nan 8.230 nan 0.000 0.425 3375 M N 2.852 122.442 119.600 -0.016 0.000 2.209 3375 M HA 0.456 4.936 4.480 0.000 0.000 0.355 3375 M C 0.334 176.342 176.300 -0.487 0.000 1.171 3375 M CA -0.338 54.773 55.300 -0.316 0.000 1.069 3375 M CB 1.351 33.712 32.600 -0.398 0.000 1.622 3375 M HN 0.558 nan 8.290 nan 0.000 0.459 3376 G N 3.516 111.902 108.800 -0.690 0.000 2.544 3376 G HA2 0.680 4.640 3.960 0.000 0.000 0.313 3376 G HA3 0.680 4.640 3.960 0.000 0.000 0.313 3376 G C -1.782 172.742 174.900 -0.627 0.000 1.316 3376 G CA -0.251 44.243 45.100 -1.010 0.000 0.944 3376 G HN 0.597 nan 8.290 nan 0.000 0.489 3377 Y N 0.230 120.584 120.300 0.089 0.000 2.485 3377 Y HA 0.578 5.128 4.550 0.000 0.000 0.345 3377 Y C 0.297 176.453 175.900 0.428 0.000 0.998 3377 Y CA -0.933 57.405 58.100 0.396 0.000 1.059 3377 Y CB 2.809 41.628 38.460 0.598 0.000 1.234 3377 Y HN 0.488 nan 8.280 nan 0.000 0.461 3378 E N 2.750 123.284 120.200 0.557 0.000 2.191 3378 E HA 0.424 4.774 4.350 0.000 0.000 0.263 3378 E C -1.873 174.889 176.600 0.270 0.000 0.881 3378 E CA -0.673 55.892 56.400 0.276 0.000 0.757 3378 E CB 1.263 31.151 29.700 0.314 0.000 1.147 3378 E HN 0.585 nan 8.360 nan 0.000 0.414 3379 Y N 1.734 122.038 120.300 0.006 0.000 2.670 3379 Y HA 0.569 5.119 4.550 0.000 0.000 0.334 3379 Y C -1.884 173.972 175.900 -0.074 0.000 1.185 3379 Y CA -1.467 56.539 58.100 -0.157 0.000 1.053 3379 Y CB 1.014 39.230 38.460 -0.406 0.000 1.298 3379 Y HN 0.285 nan 8.280 nan 0.000 0.459 3380 F N 0.815 120.865 119.950 0.168 0.000 2.480 3380 F HA 0.708 5.235 4.527 0.000 0.000 0.329 3380 F C 0.225 176.088 175.800 0.104 0.000 1.091 3380 F CA -0.910 57.135 58.000 0.075 0.000 0.972 3380 F CB 2.516 41.507 39.000 -0.016 0.000 1.150 3380 F HN 0.740 nan 8.300 nan 0.000 0.467 3381 T N 1.048 115.754 114.554 0.253 0.000 2.853 3381 T HA 0.292 4.642 4.350 0.000 0.000 0.311 3381 T C -1.040 173.710 174.700 0.083 0.000 1.307 3381 T CA -0.515 61.685 62.100 0.167 0.000 1.019 3381 T CB 1.557 70.507 68.868 0.137 0.000 1.264 3381 T HN 0.484 nan 8.240 nan 0.000 0.497 3382 S N 2.130 117.876 115.700 0.077 0.000 2.565 3382 S HA 0.384 4.854 4.470 0.000 0.000 0.276 3382 S C 0.367 174.984 174.600 0.029 0.000 1.326 3382 S CA -0.587 57.634 58.200 0.034 0.000 1.045 3382 S CB 0.617 63.839 63.200 0.036 0.000 0.918 3382 S HN 0.660 nan 8.310 nan 0.000 0.505 3383 R N 1.226 121.729 120.500 0.005 0.000 2.726 3383 R HA 0.466 4.806 4.340 0.000 0.000 0.272 3383 R C 0.639 176.952 176.300 0.021 0.000 1.097 3383 R CA 0.834 56.935 56.100 0.002 0.000 1.198 3383 R CB -0.371 29.930 30.300 0.002 0.000 1.114 3383 R HN 0.918 nan 8.270 nan 0.000 0.550 3384 T N 0.000 114.569 114.554 0.025 0.000 3.816 3384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 3384 T CA 0.000 62.118 62.100 0.031 0.000 1.349 3384 T CB 0.000 68.884 68.868 0.027 0.000 0.612 3384 T HN 0.000 nan 8.240 nan 0.000 0.658