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 1gw7_1_C 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 TE 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 0.725 121.948 121.223 -0.000 0.000 2.718 3015 L HA 0.606 4.946 4.340 0.000 0.000 0.242 3015 L C 2.171 179.040 176.870 -0.002 0.000 1.203 3015 L CA 1.800 56.640 54.840 -0.001 0.000 1.011 3015 L CB -2.771 39.288 42.059 -0.001 0.000 1.250 3015 L HN 1.250 nan 8.230 nan 0.000 0.437 3016 R N 0.642 121.141 120.500 -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 1.596 57.696 56.100 -0.002 0.000 0.984 3016 R CB -1.211 29.089 30.300 -0.000 0.000 0.884 3016 R HN 1.012 nan 8.270 nan 0.000 0.447 3017 N N -0.660 118.037 118.700 -0.005 0.000 2.333 3017 N HA -0.120 4.620 4.740 0.000 0.000 0.178 3017 N C 1.811 177.314 175.510 -0.011 0.000 1.018 3017 N CA 1.197 54.242 53.050 -0.009 0.000 0.882 3017 N CB -0.252 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 -0.937 118.859 119.800 -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 0.913 56.712 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 0.829 123.644 122.820 -0.009 0.000 1.898 3020 A HA -0.152 4.168 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 1.087 53.117 52.037 -0.012 0.000 0.620 3020 A CB -0.295 18.698 19.000 -0.013 0.000 0.819 3020 A HN 0.209 nan 8.150 nan 0.000 0.442 3021 M N -0.308 119.279 119.600 -0.022 0.000 2.086 3021 M HA -0.124 4.356 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 1.678 56.961 55.300 -0.029 0.000 1.116 3021 M CB -1.462 31.120 32.600 -0.029 0.000 1.348 3021 M HN 0.490 nan 8.290 nan 0.000 0.407 3022 A N 0.086 122.897 122.820 -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 2.070 54.100 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 0.290 123.105 122.820 -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 2.138 54.172 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 0.652 nan 8.150 nan 0.000 0.443 3024 N N -0.289 118.403 118.700 -0.014 0.000 2.025 3024 N HA -0.169 4.571 4.740 0.000 0.000 0.194 3024 N C 1.602 177.100 175.510 -0.020 0.000 1.044 3024 N CA 1.762 54.800 53.050 -0.020 0.000 0.851 3024 N CB -0.368 38.099 38.487 -0.034 0.000 1.036 3024 N HN 0.283 nan 8.380 nan 0.000 0.422 3025 L N 1.250 122.459 121.223 -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 1.861 56.689 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 0.433 nan 8.230 nan 0.000 0.432 3026 Q N -0.944 118.851 119.800 -0.007 0.000 2.084 3026 Q HA -0.214 4.126 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 1.848 57.650 55.803 -0.002 0.000 0.844 3026 Q CB -0.209 28.529 28.738 0.001 0.000 0.898 3026 Q HN 0.649 nan 8.270 nan 0.000 0.426 3027 A N 1.338 124.159 122.820 0.002 0.000 1.902 3027 A HA -0.222 4.098 4.320 0.000 0.000 0.217 3027 A C 2.140 179.725 177.584 0.002 0.000 1.181 3027 A CA 1.535 53.576 52.037 0.007 0.000 0.623 3027 A CB -0.702 18.304 19.000 0.010 0.000 0.818 3027 A HN 0.437 nan 8.150 nan 0.000 0.443 3028 R N -0.317 120.179 120.500 -0.006 0.000 2.073 3028 R HA -0.199 4.141 4.340 0.000 0.000 0.234 3028 R C 2.348 178.643 176.300 -0.007 0.000 1.134 3028 R CA 1.955 58.050 56.100 -0.009 0.000 0.952 3028 R CB -0.393 29.898 30.300 -0.016 0.000 0.850 3028 R HN 0.709 nan 8.270 nan 0.000 0.433 3029 Q N 0.082 119.878 119.800 -0.006 0.000 2.096 3029 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 3029 Q C 2.233 178.233 176.000 -0.001 0.000 0.982 3029 Q CA 1.802 57.602 55.803 -0.004 0.000 0.850 3029 Q CB -0.131 28.605 28.738 -0.003 0.000 0.901 3029 Q HN 0.457 nan 8.270 nan 0.000 0.422 3030 I N -0.183 120.389 120.570 0.003 0.000 2.252 3030 I HA -0.234 3.936 4.170 0.000 0.000 0.245 3030 I C 2.209 178.330 176.117 0.007 0.000 1.102 3030 I CA 0.682 61.987 61.300 0.009 0.000 1.385 3030 I CB -0.176 37.833 38.000 0.015 0.000 1.064 3030 I HN 0.041 nan 8.210 nan 0.000 0.414 3031 V N 1.196 121.111 119.914 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 1.797 64.093 62.300 -0.007 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 -0.586 120.630 121.223 -0.012 0.000 2.083 3032 L HA -0.231 4.109 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 1.643 56.471 54.840 -0.020 0.000 0.752 3032 L CB -0.579 41.467 42.059 -0.022 0.000 0.899 3032 L HN 0.415 nan 8.230 nan 0.000 0.433 3033 Q N -0.896 118.904 119.800 -0.001 0.000 2.187 3033 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 3033 Q C 2.162 178.177 176.000 0.025 0.000 0.957 3033 Q CA 0.801 56.609 55.803 0.009 0.000 0.857 3033 Q CB 0.059 28.803 28.738 0.009 0.000 0.929 3033 Q HN 0.508 nan 8.270 nan 0.000 0.453 3034 Q N 0.462 120.278 119.800 0.025 0.000 2.204 3034 Q HA 0.037 4.377 4.340 0.000 0.000 0.198 3034 Q C 1.311 177.343 176.000 0.053 0.000 0.946 3034 Q CA 0.563 56.388 55.803 0.038 0.000 0.859 3034 Q CB 0.198 28.955 28.738 0.032 0.000 0.946 3034 Q HN 0.258 nan 8.270 nan 0.000 0.474 3035 S N -0.500 115.224 115.700 0.040 0.000 2.645 3035 S HA 0.339 4.809 4.470 0.000 0.000 0.266 3035 S C -0.643 174.019 174.600 0.104 0.000 1.258 3035 S CA -0.652 57.581 58.200 0.056 0.000 0.990 3035 S CB 0.881 64.090 63.200 0.014 0.000 0.967 3035 S HN 0.196 nan 8.310 nan 0.000 0.556 3036 Y N 1.858 122.140 120.300 -0.029 0.000 2.350 3036 Y HA 0.518 5.068 4.550 0.000 0.000 0.338 3036 Y C -2.554 173.296 175.900 -0.083 0.000 0.961 3036 Y CA -2.272 55.800 58.100 -0.046 0.000 1.100 3036 Y CB 1.945 40.383 38.460 -0.037 0.000 1.179 3036 Y HN 0.567 nan 8.280 nan 0.000 0.454 3037 P HA 0.194 nan 4.420 nan 0.000 0.271 3037 P C -1.263 175.808 177.300 -0.382 0.000 1.216 3037 P CA 0.135 62.984 63.100 -0.418 0.000 0.776 3037 P CB 1.942 33.392 31.700 -0.416 0.000 0.881 3038 V N 4.382 124.037 119.914 -0.431 0.000 2.841 3038 V HA 0.478 4.598 4.120 0.000 0.000 0.310 3038 V C -0.042 175.811 176.094 -0.402 0.000 1.090 3038 V CA -0.738 61.304 62.300 -0.430 0.000 0.930 3038 V CB 2.472 33.874 31.823 -0.701 0.000 1.014 3038 V HN 0.535 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 0.638 4.808 4.170 0.000 0.000 0.287 3039 I C -0.840 175.378 176.117 0.168 0.000 1.042 3039 I CA -0.096 61.221 61.300 0.029 0.000 1.067 3039 I CB 1.586 39.606 38.000 0.033 0.000 1.233 3039 I HN 0.933 nan 8.210 nan 0.000 0.431 3040 Q N 5.767 125.758 119.800 0.318 0.000 2.379 3040 Q HA 0.386 4.726 4.340 0.000 0.000 0.278 3040 Q C -1.369 174.857 176.000 0.377 0.000 1.068 3040 Q CA -0.940 55.082 55.803 0.364 0.000 0.816 3040 Q CB 1.934 30.854 28.738 0.304 0.000 1.387 3040 Q HN 0.672 nan 8.270 nan 0.000 0.413 3041 Q N 1.196 121.144 119.800 0.245 0.000 2.330 3041 Q HA 0.105 4.445 4.340 0.000 0.000 0.279 3041 Q C -0.556 175.447 176.000 0.006 0.000 1.024 3041 Q CA 0.132 55.850 55.803 -0.141 0.000 0.900 3041 Q CB 1.086 29.670 28.738 -0.256 0.000 1.221 3041 Q HN 0.707 nan 8.270 nan 0.000 0.396 3042 V N 2.959 122.871 119.914 -0.004 0.000 2.908 3042 V HA 0.191 4.311 4.120 0.000 0.000 0.240 3042 V C 0.185 176.298 176.094 0.032 0.000 1.117 3042 V CA 0.960 63.299 62.300 0.064 0.000 1.133 3042 V CB 0.424 32.325 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 -1.654 174.924 176.600 -0.037 0.000 1.026 3043 E CA -0.344 56.067 56.400 0.019 0.000 0.820 3043 E CB 2.219 31.985 29.700 0.110 0.000 1.226 3043 E HN 0.158 nan 8.360 nan 0.000 0.432 3044 T N 2.562 117.025 114.554 -0.150 0.000 2.912 3044 T HA 0.495 4.845 4.350 0.000 0.000 0.299 3044 T C -1.298 173.122 174.700 -0.467 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 0.789 120.096 119.800 -0.821 0.000 2.353 3045 Q HA 0.582 4.922 4.340 0.000 0.000 0.275 3045 Q C -1.661 174.061 176.000 -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 3.612 118.046 114.554 -0.199 0.000 2.824 3046 T HA 0.773 5.123 4.350 0.000 0.000 0.282 3046 T C -1.221 173.479 174.700 -0.000 0.000 0.993 3046 T CA -0.370 61.624 62.100 -0.175 0.000 0.967 3046 T CB 0.362 69.135 68.868 -0.157 0.000 0.960 3046 T HN 0.458 nan 8.240 nan 0.000 0.441 3047 F N -0.206 119.635 119.950 -0.182 0.000 2.779 3047 F HA 0.732 5.259 4.527 0.000 0.000 0.316 3047 F C -1.597 174.169 175.800 -0.057 0.000 1.164 3047 F CA -1.318 56.641 58.000 -0.068 0.000 0.924 3047 F CB 1.145 40.168 39.000 0.038 0.000 1.348 3047 F HN 0.301 nan 8.300 nan 0.000 0.467 3048 D N 2.276 122.757 120.400 0.135 0.000 2.349 3048 D HA 0.367 5.007 4.640 0.000 0.000 0.232 3048 D C -1.894 174.559 176.300 0.256 0.000 1.071 3048 D CA -2.617 51.418 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 0.324 nan 8.370 nan 0.000 0.504 3049 P HA -0.076 nan 4.420 nan 0.000 0.228 3049 P C 0.878 178.300 177.300 0.203 0.000 1.151 3049 P CA 0.413 63.677 63.100 0.275 0.000 0.770 3049 P CB 0.263 31.982 31.700 0.031 0.000 0.786 3050 A N -0.091 122.836 122.820 0.179 0.000 2.066 3050 A HA -0.109 4.211 4.320 0.000 0.000 0.218 3050 A C 2.067 179.723 177.584 0.121 0.000 1.157 3050 A CA 1.134 53.261 52.037 0.151 0.000 0.670 3050 A CB -0.736 18.350 19.000 0.142 0.000 0.804 3050 A HN 0.144 nan 8.150 nan 0.000 0.453 3051 N N -1.017 117.766 118.700 0.138 0.000 2.349 3051 N HA 0.081 4.821 4.740 0.000 0.000 0.180 3051 N C 0.752 176.302 175.510 0.066 0.000 1.024 3051 N CA 0.654 53.765 53.050 0.102 0.000 0.869 3051 N CB 0.115 38.674 38.487 0.119 0.000 1.022 3051 N HN 0.517 nan 8.380 nan 0.000 0.433 3052 R N -0.171 120.390 120.500 0.101 0.000 2.561 3052 R HA 0.231 4.571 4.340 0.000 0.000 0.266 3052 R C -0.681 175.618 176.300 -0.001 0.000 1.091 3052 R CA -0.044 56.021 56.100 -0.058 0.000 0.927 3052 R CB 0.889 31.047 30.300 -0.236 0.000 1.240 3052 R HN 0.098 nan 8.270 nan 0.000 0.449 3053 S N 1.077 116.748 115.700 -0.047 0.000 2.733 3053 S HA 0.209 4.679 4.470 0.000 0.000 0.247 3053 S C -0.230 174.459 174.600 0.148 0.000 1.043 3053 S CA -0.234 58.068 58.200 0.169 0.000 1.066 3053 S CB 0.826 64.150 63.200 0.207 0.000 1.045 3053 S HN 0.165 nan 8.310 nan 0.000 0.586 3054 V N 2.709 122.496 119.914 -0.212 0.000 2.417 3054 V HA 0.644 4.764 4.120 0.000 0.000 0.291 3054 V C -1.338 174.450 176.094 -0.509 0.000 1.024 3054 V CA -0.553 61.636 62.300 -0.186 0.000 0.861 3054 V CB 0.965 32.688 31.823 -0.167 0.000 0.985 3054 V HN 0.405 nan 8.190 nan 0.000 0.436 3055 F N 2.083 121.971 119.950 -0.103 0.000 2.556 3055 F HA 0.473 5.000 4.527 0.000 0.000 0.314 3055 F C -0.070 175.650 175.800 -0.133 0.000 1.106 3055 F CA -0.838 57.100 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 3.169 123.589 120.400 0.033 0.000 2.427 3056 D HA 0.360 5.000 4.640 0.000 0.000 0.226 3056 D C -0.964 175.337 176.300 0.001 0.000 1.076 3056 D CA -0.068 53.915 54.000 -0.028 0.000 0.849 3056 D CB 1.425 42.186 40.800 -0.065 0.000 1.052 3056 D HN 0.198 nan 8.370 nan 0.000 0.515 3057 V N 3.306 123.194 119.914 -0.042 0.000 2.546 3057 V HA 0.293 4.413 4.120 0.000 0.000 0.284 3057 V C 0.797 176.851 176.094 -0.067 0.000 1.050 3057 V CA -0.329 61.952 62.300 -0.032 0.000 0.981 3057 V CB 1.665 33.432 31.823 -0.093 0.000 0.990 3057 V HN 0.503 nan 8.190 nan 0.000 0.474 3058 T N 6.737 121.276 114.554 -0.025 0.000 2.929 3058 T HA 0.359 4.709 4.350 0.000 0.000 0.331 3058 T C -2.369 172.335 174.700 0.006 0.000 1.120 3058 T CA -0.901 61.183 62.100 -0.026 0.000 0.973 3058 T CB 0.987 69.847 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 -0.533 176.824 177.300 0.095 0.000 1.215 3059 P CA -0.433 62.745 63.100 0.130 0.000 0.780 3059 P CB 0.459 32.330 31.700 0.285 0.000 0.898 3060 A N 2.302 125.173 122.820 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 51.768 52.037 0.009 0.000 0.791 3060 A CB -0.287 18.698 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 -1.247 174.205 175.510 -0.097 0.000 1.084 3061 N CA 0.172 53.197 53.050 -0.041 0.000 0.952 3061 N CB 0.900 39.383 38.487 -0.007 0.000 1.244 3061 N HN 0.307 nan 8.380 nan 0.000 0.512 3062 V N 0.316 120.111 119.914 -0.198 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 -0.233 0.000 1.097 3062 V CA -0.656 61.487 62.300 -0.260 0.000 0.906 3062 V CB 1.330 32.866 31.823 -0.479 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 -0.122 174.769 174.900 -0.015 0.000 1.300 3063 G CA 0.481 45.562 45.100 -0.030 0.000 0.959 3063 G HN 0.842 nan 8.290 nan 0.000 0.548 3064 I N 0.652 121.237 120.570 0.024 0.000 2.325 3064 I HA 0.354 4.524 4.170 0.000 0.000 0.291 3064 I C 0.456 176.609 176.117 0.059 0.000 1.019 3064 I CA -0.637 60.677 61.300 0.024 0.000 1.302 3064 I CB 1.460 39.464 38.000 0.007 0.000 1.401 3064 I HN 0.302 nan 8.210 nan 0.000 0.485 3065 V N 7.599 127.521 119.914 0.013 0.000 2.432 3065 V HA 0.172 4.292 4.120 0.000 0.000 0.275 3065 V C 0.808 176.839 176.094 -0.104 0.000 1.043 3065 V CA -0.304 61.968 62.300 -0.047 0.000 0.925 3065 V CB 1.233 32.989 31.823 -0.110 0.000 0.985 3065 V HN 0.743 nan 8.190 nan 0.000 0.466 3066 K N 2.788 123.126 120.400 -0.104 0.000 2.308 3066 K HA 0.484 4.804 4.320 0.000 0.000 0.197 3066 K C 0.801 177.299 176.600 -0.169 0.000 1.049 3066 K CA 0.705 56.971 56.287 -0.037 0.000 0.991 3066 K CB 0.670 33.235 32.500 0.109 0.000 0.836 3066 K HN 0.934 nan 8.250 nan 0.000 0.500 3067 G N -0.167 108.304 108.800 -0.548 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 -1.952 172.068 174.900 -1.466 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 -0.514 118.848 119.950 -0.979 0.000 2.547 3068 F HA 0.672 5.199 4.527 0.000 0.000 0.316 3068 F C -0.221 175.470 175.800 -0.182 0.000 1.121 3068 F CA -0.846 56.924 58.000 -0.383 0.000 0.911 3068 F CB 2.354 41.228 39.000 -0.210 0.000 1.179 3068 F HN 0.423 nan 8.300 nan 0.000 0.443 3069 L N 4.377 125.872 121.223 0.452 0.000 2.272 3069 L HA 0.719 5.059 4.340 0.000 0.000 0.289 3069 L C -1.048 176.159 176.870 0.563 0.000 1.032 3069 L CA -0.515 54.717 54.840 0.653 0.000 0.810 3069 L CB 1.145 43.624 42.059 0.700 0.000 1.205 3069 L HN 0.408 nan 8.230 nan 0.000 0.422 3070 V N 5.638 125.845 119.914 0.488 0.000 2.357 3070 V HA 0.391 4.511 4.120 0.000 0.000 0.284 3070 V C 0.057 176.313 176.094 0.271 0.000 1.018 3070 V CA -0.822 61.698 62.300 0.366 0.000 0.841 3070 V CB 1.170 33.144 31.823 0.251 0.000 0.991 3070 V HN 0.722 nan 8.190 nan 0.000 0.437 3071 K N 4.286 124.757 120.400 0.118 0.000 2.201 3071 K HA 0.676 4.996 4.320 0.000 0.000 0.278 3071 K C -1.326 175.241 176.600 -0.054 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 0.499 nan 8.250 nan 0.000 0.465 3072 V N 3.667 123.533 119.914 -0.080 0.000 2.577 3072 V HA 0.335 4.455 4.120 0.000 0.000 0.303 3072 V C -0.286 175.824 176.094 0.027 0.000 1.042 3072 V CA -0.827 61.538 62.300 0.108 0.000 0.872 3072 V CB 1.640 33.657 31.823 0.323 0.000 0.998 3072 V HN 1.022 nan 8.190 nan 0.000 0.423 3073 T N 1.373 115.929 114.554 0.003 0.000 2.924 3073 T HA 0.977 5.327 4.350 0.000 0.000 0.291 3073 T C -0.466 174.232 174.700 -0.002 0.000 1.045 3073 T CA -0.448 61.656 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 1.449 nan 8.240 nan 0.000 0.496 3074 A N 0.368 123.222 122.820 0.057 0.000 2.612 3074 A HA 0.898 5.218 4.320 0.000 0.000 0.293 3074 A C -1.108 176.554 177.584 0.130 0.000 1.075 3074 A CA -0.732 51.367 52.037 0.103 0.000 0.680 3074 A CB 1.098 20.265 19.000 0.278 0.000 1.279 3074 A HN 1.732 nan 8.150 nan 0.000 0.411 3075 A N 0.992 123.898 122.820 0.142 0.000 2.330 3075 A HA 0.798 5.118 4.320 0.000 0.000 0.313 3075 A C -0.907 176.751 177.584 0.123 0.000 1.124 3075 A CA -0.294 51.802 52.037 0.097 0.000 0.774 3075 A CB 0.516 19.543 19.000 0.045 0.000 1.198 3075 A HN 0.797 nan 8.150 nan 0.000 0.465 3076 I N 1.590 122.182 120.570 0.037 0.000 2.545 3076 I HA 0.427 4.597 4.170 0.000 0.000 0.292 3076 I C -0.326 175.712 176.117 -0.131 0.000 1.040 3076 I CA -0.290 60.974 61.300 -0.059 0.000 1.068 3076 I CB 2.731 40.669 38.000 -0.105 0.000 1.251 3076 I HN 0.578 nan 8.210 nan 0.000 0.424 3077 T N 4.004 118.459 114.554 -0.165 0.000 2.807 3077 T HA 0.274 4.624 4.350 0.000 0.000 0.279 3077 T C -0.395 174.150 174.700 -0.258 0.000 0.993 3077 T CA -0.602 61.396 62.100 -0.171 0.000 0.970 3077 T CB 1.149 69.956 68.868 -0.101 0.000 0.950 3077 T HN 0.416 nan 8.240 nan 0.000 0.441 3078 N N 2.759 121.318 118.700 -0.234 0.000 2.485 3078 N HA 0.189 4.929 4.740 0.000 0.000 0.243 3078 N C -0.017 175.412 175.510 -0.135 0.000 0.987 3078 N CA -0.518 52.389 53.050 -0.237 0.000 0.940 3078 N CB 0.406 38.758 38.487 -0.224 0.000 1.122 3078 N HN 0.368 nan 8.380 nan 0.000 0.509 3079 N N 1.504 120.133 118.700 -0.119 0.000 2.276 3079 N HA -0.039 4.701 4.740 0.000 0.000 0.212 3079 N C -0.319 175.161 175.510 -0.050 0.000 1.127 3079 N CA -0.112 52.893 53.050 -0.076 0.000 0.834 3079 N CB -0.190 38.249 38.487 -0.079 0.000 1.014 3079 N HN 0.654 nan 8.380 nan 0.000 0.491 3080 H N 0.322 119.326 119.070 -0.109 0.000 2.871 3080 H HA 0.193 4.749 4.556 0.000 0.000 0.355 3080 H C 1.326 176.616 175.328 -0.063 0.000 1.092 3080 H CA 0.391 56.390 56.048 -0.082 0.000 1.420 3080 H CB 1.092 30.804 29.762 -0.084 0.000 1.400 3080 H HN 0.132 nan 8.280 nan 0.000 0.604 3081 A N 2.582 125.194 122.820 -0.347 0.000 1.969 3081 A HA -0.125 4.195 4.320 0.000 0.000 0.218 3081 A C 1.869 179.467 177.584 0.023 0.000 1.169 3081 A CA 2.167 54.116 52.037 -0.146 0.000 0.635 3081 A CB -0.453 18.425 19.000 -0.204 0.000 0.810 3081 A HN 0.889 nan 8.150 nan 0.000 0.445 3082 T N -5.196 109.500 114.554 0.237 0.000 3.074 3082 T HA 0.178 4.528 4.350 0.000 0.000 0.258 3082 T C 0.159 174.939 174.700 0.134 0.000 0.891 3082 T CA -0.261 61.941 62.100 0.169 0.000 0.867 3082 T CB 0.118 69.055 68.868 0.116 0.000 1.261 3082 T HN 0.199 nan 8.240 nan 0.000 0.537 3083 E N 1.740 122.027 120.200 0.144 0.000 2.242 3083 E HA 0.744 5.094 4.350 0.000 0.000 0.275 3083 E C -0.187 176.326 176.600 -0.145 0.000 1.002 3083 E CA -0.420 55.890 56.400 -0.149 0.000 0.841 3083 E CB 1.935 31.363 29.700 -0.453 0.000 1.109 3083 E HN 0.538 nan 8.360 nan 0.000 0.394 3084 A N 1.679 124.435 122.820 -0.107 0.000 2.247 3084 A HA 0.684 5.004 4.320 0.000 0.000 0.313 3084 A C -0.113 177.418 177.584 -0.089 0.000 1.109 3084 A CA -0.546 51.439 52.037 -0.087 0.000 0.890 3084 A CB 0.745 19.717 19.000 -0.047 0.000 1.239 3084 A HN 0.400 nan 8.150 nan 0.000 0.506 3085 V N -4.009 115.869 119.914 -0.059 0.000 3.007 3085 V HA 0.936 5.056 4.120 0.000 0.000 0.311 3085 V C -0.222 175.957 176.094 0.142 0.000 1.120 3085 V CA -0.333 61.981 62.300 0.024 0.000 0.980 3085 V CB 1.099 32.934 31.823 0.019 0.000 1.033 3085 V HN 1.855 nan 8.190 nan 0.000 0.429 3086 A N 2.758 125.715 122.820 0.229 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 -0.978 51.203 52.037 0.240 0.000 0.750 3086 A CB 1.456 20.515 19.000 0.099 0.000 1.296 3086 A HN 1.081 nan 8.150 nan 0.000 0.423 3087 L N 1.837 123.079 121.223 0.031 0.000 2.514 3087 L HA 0.151 4.491 4.340 0.000 0.000 0.280 3087 L C 1.489 178.263 176.870 -0.160 0.000 1.223 3087 L CA 0.101 54.761 54.840 -0.301 0.000 0.864 3087 L CB 0.508 42.422 42.059 -0.243 0.000 1.118 3087 L HN 0.998 nan 8.230 nan 0.000 0.494 3088 T N -1.996 112.435 114.554 -0.206 0.000 2.770 3088 T HA 0.090 4.440 4.350 0.000 0.000 0.281 3088 T C 0.741 175.358 174.700 -0.137 0.000 0.981 3088 T CA -0.790 61.205 62.100 -0.174 0.000 0.955 3088 T CB 0.790 69.519 68.868 -0.230 0.000 1.060 3088 T HN 0.503 nan 8.240 nan 0.000 0.531 3089 D N -0.246 120.046 120.400 -0.180 0.000 2.178 3089 D HA -0.010 4.630 4.640 0.000 0.000 0.201 3089 D C 1.522 177.978 176.300 0.260 0.000 0.980 3089 D CA 1.035 55.025 54.000 -0.017 0.000 0.842 3089 D CB -0.220 40.524 40.800 -0.092 0.000 0.948 3089 D HN 0.468 nan 8.370 nan 0.000 0.472 3090 F N 0.200 120.088 119.950 -0.104 0.000 2.473 3090 F HA 0.241 4.768 4.527 0.000 0.000 0.294 3090 F C 2.200 177.953 175.800 -0.079 0.000 1.103 3090 F CA 0.432 58.407 58.000 -0.041 0.000 1.442 3090 F CB -0.948 38.004 39.000 -0.080 0.000 1.097 3090 F HN -0.020 nan 8.300 nan 0.000 0.547 3091 G N 2.641 111.467 108.800 0.043 0.000 2.685 3091 G HA2 -0.340 3.620 3.960 0.000 0.000 0.329 3091 G HA3 -0.340 3.620 3.960 0.000 0.000 0.329 3091 G C -1.115 173.758 174.900 -0.044 0.000 1.271 3091 G CA 0.574 45.616 45.100 -0.098 0.000 1.003 3091 G HN 0.210 nan 8.290 nan 0.000 0.549 3092 P HA 0.045 nan 4.420 nan 0.000 0.225 3092 P C 1.660 178.970 177.300 0.018 0.000 1.148 3092 P CA 2.308 65.414 63.100 0.010 0.000 0.779 3092 P CB -0.377 31.321 31.700 -0.002 0.000 0.780 3093 A N 0.193 122.982 122.820 -0.052 0.000 2.121 3093 A HA -0.115 4.205 4.320 0.000 0.000 0.218 3093 A C 1.879 179.595 177.584 0.221 0.000 1.154 3093 A CA 1.111 53.115 52.037 -0.055 0.000 0.679 3093 A CB -1.033 17.829 19.000 -0.230 0.000 0.795 3093 A HN 0.128 nan 8.150 nan 0.000 0.458 3094 N N -0.358 118.469 118.700 0.213 0.000 2.314 3094 N HA 0.173 4.913 4.740 0.000 0.000 0.200 3094 N C 1.103 176.754 175.510 0.235 0.000 1.135 3094 N CA 0.100 53.297 53.050 0.246 0.000 0.835 3094 N CB 0.029 38.645 38.487 0.214 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 0.803 55.842 54.840 0.331 0.000 0.763 3095 L CB 0.193 42.470 42.059 0.362 0.000 0.908 3095 L HN -0.116 nan 8.230 nan 0.000 0.437 3096 V N 0.007 120.017 119.914 0.161 0.000 2.370 3096 V HA 0.120 4.240 4.120 0.000 0.000 0.283 3096 V C 0.559 176.559 176.094 -0.157 0.000 1.023 3096 V CA -0.523 61.647 62.300 -0.216 0.000 0.857 3096 V CB 1.675 33.065 31.823 -0.722 0.000 0.985 3096 V HN 0.184 nan 8.190 nan 0.000 0.443 3097 Q N 3.574 123.294 119.800 -0.134 0.000 2.123 3097 Q HA 0.199 4.539 4.340 0.000 0.000 0.196 3097 Q C 0.454 176.362 176.000 -0.153 0.000 0.958 3097 Q CA 1.020 56.787 55.803 -0.061 0.000 0.841 3097 Q CB 0.439 29.177 28.738 0.000 0.000 0.915 3097 Q HN 0.613 nan 8.270 nan 0.000 0.455 3098 R N -0.760 119.599 120.500 -0.236 0.000 2.707 3098 R HA 0.616 4.956 4.340 0.000 0.000 0.272 3098 R C -1.400 174.708 176.300 -0.320 0.000 1.011 3098 R CA -0.483 55.468 56.100 -0.248 0.000 0.893 3098 R CB 2.376 32.580 30.300 -0.160 0.000 1.233 3098 R HN -0.181 nan 8.270 nan 0.000 0.464 3099 V N 3.216 122.949 119.914 -0.301 0.000 2.686 3099 V HA 0.577 4.697 4.120 0.000 0.000 0.306 3099 V C -1.031 174.931 176.094 -0.221 0.000 1.065 3099 V CA -0.742 61.376 62.300 -0.303 0.000 0.894 3099 V CB 2.084 33.695 31.823 -0.354 0.000 1.004 3099 V HN 0.533 nan 8.190 nan 0.000 0.424 3100 I N 4.688 125.148 120.570 -0.184 0.000 2.569 3100 I HA 0.492 4.662 4.170 0.000 0.000 0.290 3100 I C -1.161 174.873 176.117 -0.139 0.000 1.088 3100 I CA -0.524 60.672 61.300 -0.174 0.000 1.047 3100 I CB 1.971 39.882 38.000 -0.148 0.000 1.237 3100 I HN 0.638 nan 8.210 nan 0.000 0.421 3101 Y N 6.103 126.219 120.300 -0.307 0.000 2.393 3101 Y HA 0.715 5.265 4.550 0.000 0.000 0.341 3101 Y C -1.732 173.996 175.900 -0.287 0.000 0.988 3101 Y CA -0.851 57.106 58.100 -0.237 0.000 1.078 3101 Y CB 1.351 39.681 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 -0.249 175.084 175.900 -0.944 0.000 0.969 3102 Y CA -1.181 56.557 58.100 -0.603 0.000 1.052 3102 Y CB 1.310 39.577 38.460 -0.320 0.000 1.215 3102 Y HN 0.715 nan 8.280 nan 0.000 0.451 3103 D N 2.279 122.529 120.400 -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 -2.229 51.722 54.000 -0.082 0.000 1.059 3103 D CB 0.243 41.181 40.800 0.229 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 0.075 177.392 177.300 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 31.825 31.700 0.046 0.000 0.775 3105 D N -1.995 118.440 120.400 0.059 0.000 2.328 3105 D HA 0.034 4.674 4.640 0.000 0.000 0.221 3105 D C 0.386 176.719 176.300 0.055 0.000 1.072 3105 D CA 0.098 54.130 54.000 0.054 0.000 0.850 3105 D CB -0.662 40.180 40.800 0.070 0.000 0.922 3105 D HN 0.005 nan 8.370 nan 0.000 0.516 3106 N N 1.096 119.829 118.700 0.054 0.000 2.741 3106 N HA -0.229 4.511 4.740 0.000 0.000 0.250 3106 N C -0.321 175.306 175.510 0.194 0.000 1.115 3106 N CA 0.455 53.551 53.050 0.076 0.000 0.724 3106 N CB -0.910 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 1.049 120.959 119.800 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 -0.286 55.621 55.803 0.172 0.000 0.933 3107 Q CB 0.751 29.565 28.738 0.127 0.000 1.189 3107 Q HN 0.300 nan 8.270 nan 0.000 0.417 3108 R N 3.956 124.506 120.500 0.083 0.000 2.438 3108 R HA 0.190 4.530 4.340 0.000 0.000 0.287 3108 R C -0.089 176.215 176.300 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 0.885 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 0.076 0.000 1.383 3109 H HN 0.434 nan 8.280 nan 0.000 0.422 3110 T N 1.377 115.923 114.554 -0.014 0.000 2.940 3110 T HA 0.087 4.437 4.350 0.000 0.000 0.309 3110 T C 0.085 174.699 174.700 -0.144 0.000 1.056 3110 T CA 0.521 62.530 62.100 -0.152 0.000 1.137 3110 T CB 0.316 69.054 68.868 -0.217 0.000 0.976 3110 T HN 0.419 nan 8.240 nan 0.000 0.547 3111 E N 1.778 121.897 120.200 -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 1.160 115.626 114.554 -0.147 0.000 2.665 3112 T HA 0.469 4.819 4.350 0.000 0.000 0.303 3112 T C -0.992 173.552 174.700 -0.261 0.000 1.334 3112 T CA -0.158 61.848 62.100 -0.157 0.000 1.011 3112 T CB 1.009 69.839 68.868 -0.062 0.000 1.573 3112 T HN 0.458 nan 8.240 nan 0.000 0.492 3113 S N 0.010 115.473 115.700 -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 -0.491 0.000 1.292 3113 S CA 0.045 57.938 58.200 -0.511 0.000 1.010 3113 S CB 0.879 63.516 63.200 -0.938 0.000 0.944 3113 S HN 1.079 nan 8.310 nan 0.000 0.536 3114 G N 1.212 109.800 108.800 -0.353 0.000 2.440 3114 G HA2 -0.186 3.774 3.960 0.000 0.000 0.218 3114 G HA3 -0.186 3.774 3.960 0.000 0.000 0.218 3114 G C 1.325 176.207 174.900 -0.029 0.000 1.154 3114 G CA 0.805 45.764 45.100 -0.234 0.000 0.767 3114 G HN 0.960 nan 8.290 nan 0.000 0.552 3115 W N 0.203 121.460 121.300 -0.072 0.000 2.363 3115 W HA -0.047 4.613 4.660 0.000 0.000 0.296 3115 W C 1.801 178.014 176.519 -0.509 0.000 1.212 3115 W CA 0.887 57.994 57.345 -0.395 0.000 1.260 3115 W CB -1.088 28.100 29.460 -0.453 0.000 1.131 3115 W HN 0.425 nan 8.180 nan 0.000 0.530 3116 H N 1.164 119.803 119.070 -0.718 0.000 2.357 3116 H HA -0.172 4.384 4.556 0.000 0.000 0.301 3116 H C 2.359 177.557 175.328 -0.216 0.000 1.082 3116 H CA 1.738 57.515 56.048 -0.452 0.000 1.342 3116 H CB -0.068 29.227 29.762 -0.778 0.000 1.389 3116 H HN 0.117 nan 8.280 nan 0.000 0.511 3117 L N 0.963 121.952 121.223 -0.391 0.000 2.042 3117 L HA -0.195 4.145 4.340 0.000 0.000 0.210 3117 L C 2.553 179.321 176.870 -0.171 0.000 1.076 3117 L CA 2.365 57.014 54.840 -0.318 0.000 0.749 3117 L CB -1.064 40.873 42.059 -0.203 0.000 0.893 3117 L HN 0.358 nan 8.230 nan 0.000 0.432 3118 H N -1.006 117.977 119.070 -0.144 0.000 2.353 3118 H HA -0.187 4.369 4.556 0.000 0.000 0.300 3118 H C 1.915 177.215 175.328 -0.046 0.000 1.090 3118 H CA 2.225 58.182 56.048 -0.151 0.000 1.327 3118 H CB -0.562 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 -0.760 119.072 119.950 -0.197 0.000 2.216 3119 F HA -0.157 4.370 4.527 0.000 0.000 0.300 3119 F C 2.523 178.251 175.800 -0.121 0.000 1.085 3119 F CA 0.553 58.483 58.000 -0.116 0.000 1.326 3119 F CB -0.037 38.938 39.000 -0.043 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 1.644 177.678 176.094 -0.100 0.000 1.048 3120 V CA 1.959 64.232 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 -0.264 118.285 118.700 -0.252 0.000 2.104 3121 N HA -0.188 4.552 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 1.815 54.590 53.050 -0.459 0.000 0.853 3121 N CB -0.212 37.571 38.487 -1.174 0.000 1.008 3121 N HN 0.414 nan 8.380 nan 0.000 0.424 3122 T N 0.570 115.021 114.554 -0.171 0.000 2.708 3122 T HA -0.092 4.258 4.350 0.000 0.000 0.266 3122 T C 2.062 176.733 174.700 -0.048 0.000 1.037 3122 T CA 1.192 63.270 62.100 -0.037 0.000 1.146 3122 T CB -0.327 68.499 68.868 -0.069 0.000 0.865 3122 T HN 0.333 nan 8.240 nan 0.000 0.435 3123 A N 1.914 124.713 122.820 -0.035 0.000 1.908 3123 A HA -0.145 4.175 4.320 0.000 0.000 0.218 3123 A C 2.265 179.842 177.584 -0.013 0.000 1.181 3123 A CA 1.365 53.347 52.037 -0.093 0.000 0.627 3123 A CB -0.324 18.563 19.000 -0.188 0.000 0.818 3123 A HN 0.303 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 -0.140 4.180 4.320 0.000 0.000 0.202 3124 K C 2.122 178.706 176.600 -0.027 0.000 1.051 3124 K CA 1.411 57.684 56.287 -0.023 0.000 0.952 3124 K CB -0.202 32.257 32.500 -0.068 0.000 0.736 3124 K HN 0.771 nan 8.250 nan 0.000 0.453 3125 Q N -0.007 119.795 119.800 0.004 0.000 2.187 3125 Q HA -0.069 4.271 4.340 0.000 0.000 0.199 3125 Q C 0.677 176.666 176.000 -0.019 0.000 0.957 3125 Q CA 1.307 57.118 55.803 0.014 0.000 0.857 3125 Q CB 0.268 29.067 28.738 0.102 0.000 0.929 3125 Q HN 0.422 nan 8.270 nan 0.000 0.453 3126 G N -0.570 108.212 108.800 -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 -0.058 174.801 174.900 -0.068 0.000 0.984 3126 G CA 0.172 45.246 45.100 -0.043 0.000 0.660 3126 G HN 0.840 nan 8.290 nan 0.000 0.525 3127 A N -1.275 121.502 122.820 -0.072 0.000 2.586 3127 A HA 0.791 5.111 4.320 0.000 0.000 0.291 3127 A C -3.157 174.393 177.584 -0.057 0.000 1.062 3127 A CA -0.748 51.238 52.037 -0.084 0.000 0.666 3127 A CB 0.713 19.674 19.000 -0.066 0.000 1.281 3127 A HN 0.155 nan 8.150 nan 0.000 0.421 3128 P HA 0.131 nan 4.420 nan 0.000 0.258 3128 P C -0.351 177.013 177.300 0.107 0.000 1.172 3128 P CA 0.516 63.632 63.100 0.026 0.000 0.762 3128 P CB -0.146 31.570 31.700 0.027 0.000 0.764 3129 F N 5.764 125.720 119.950 0.010 0.000 2.580 3129 F HA -0.069 4.458 4.527 0.000 0.000 0.398 3129 F C 1.171 176.992 175.800 0.036 0.000 1.023 3129 F CA 0.375 58.390 58.000 0.025 0.000 1.188 3129 F CB -0.427 38.613 39.000 0.066 0.000 1.005 3129 F HN 0.273 nan 8.300 nan 0.000 0.546 3130 L N 3.583 124.449 121.223 -0.595 0.000 3.976 3130 L HA -0.328 4.012 4.340 0.000 0.000 0.418 3130 L C 0.655 177.375 176.870 -0.250 0.000 1.177 3130 L CA 0.550 55.056 54.840 -0.557 0.000 0.968 3130 L CB -2.375 39.202 42.059 -0.803 0.000 1.933 3130 L HN 0.726 nan 8.230 nan 0.000 0.976 3131 S N -1.846 113.772 115.700 -0.137 0.000 2.645 3131 S HA 0.515 4.985 4.470 0.000 0.000 0.266 3131 S C 0.323 174.875 174.600 -0.080 0.000 1.258 3131 S CA -0.051 58.107 58.200 -0.070 0.000 0.990 3131 S CB 2.184 65.369 63.200 -0.025 0.000 0.967 3131 S HN 0.273 nan 8.310 nan 0.000 0.556 3132 S N 1.450 117.119 115.700 -0.051 0.000 2.474 3132 S HA 0.405 4.875 4.470 0.000 0.000 0.321 3132 S C -0.356 174.223 174.600 -0.035 0.000 1.080 3132 S CA -0.831 57.343 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 5.887 125.459 119.600 -0.047 0.000 2.238 3133 M HA 0.370 4.850 4.480 0.000 0.000 0.347 3133 M C -1.062 175.219 176.300 -0.032 0.000 1.173 3133 M CA -0.258 55.015 55.300 -0.044 0.000 1.147 3133 M CB 0.641 33.204 32.600 -0.061 0.000 1.547 3133 M HN 0.423 nan 8.290 nan 0.000 0.455 3134 V N 4.723 124.623 119.914 -0.023 0.000 2.498 3134 V HA 0.466 4.586 4.120 0.000 0.000 0.279 3134 V C 0.442 176.526 176.094 -0.017 0.000 1.048 3134 V CA -0.219 62.075 62.300 -0.011 0.000 0.967 3134 V CB 0.990 32.810 31.823 -0.004 0.000 0.988 3134 V HN 1.022 nan 8.190 nan 0.000 0.473 3135 T N -0.083 114.464 114.554 -0.011 0.000 2.838 3135 T HA 0.353 4.703 4.350 0.000 0.000 0.292 3135 T C 0.274 174.976 174.700 0.003 0.000 1.113 3135 T CA -0.262 61.829 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 0.001 0.000 2.328 3136 D HA 0.083 4.723 4.640 0.000 0.000 0.226 3136 D C 0.653 176.969 176.300 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 1.821 117.545 115.700 0.041 0.000 2.525 3137 S HA 0.091 4.561 4.470 0.000 0.000 0.285 3137 S C -1.045 173.609 174.600 0.089 0.000 1.283 3137 S CA -0.922 57.327 58.200 0.082 0.000 1.072 3137 S CB 0.998 64.289 63.200 0.151 0.000 0.867 3137 S HN 0.099 nan 8.310 nan 0.000 0.492 3138 P HA 0.082 nan 4.420 nan 0.000 0.227 3138 P C 0.121 177.439 177.300 0.030 0.000 1.161 3138 P CA 0.268 63.392 63.100 0.040 0.000 0.788 3138 P CB -0.017 31.698 31.700 0.025 0.000 0.822 3139 I N 1.183 121.785 120.570 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 38.200 38.000 -0.050 0.000 1.381 3139 I HN -0.271 nan 8.210 nan 0.000 0.571 3140 K N 6.672 126.966 120.400 -0.177 0.000 3.000 3140 K HA 0.096 4.416 4.320 0.000 0.000 0.265 3140 K C -0.727 175.781 176.600 -0.154 0.000 1.260 3140 K CA -0.016 56.197 56.287 -0.124 0.000 1.209 3140 K CB -0.528 31.918 32.500 -0.089 0.000 1.484 3140 K HN 0.388 nan 8.250 nan 0.000 0.283 3141 Y N 0.444 120.732 120.300 -0.019 0.000 2.281 3141 Y HA 0.316 4.866 4.550 0.000 0.000 0.337 3141 Y C 1.547 177.434 175.900 -0.023 0.000 1.304 3141 Y CA 0.589 58.674 58.100 -0.024 0.000 1.465 3141 Y CB 0.928 39.371 38.460 -0.027 0.000 1.350 3141 Y HN 0.470 nan 8.280 nan 0.000 0.575 3142 G N 0.155 109.049 108.800 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 -1.767 173.156 174.900 0.039 0.000 1.335 3142 G CA -0.863 44.281 45.100 0.074 0.000 0.982 3142 G HN 0.541 nan 8.290 nan 0.000 0.473 3143 D N 0.501 120.914 120.400 0.022 0.000 2.470 3143 D HA 0.437 5.077 4.640 0.000 0.000 0.226 3143 D C 1.354 177.661 176.300 0.011 0.000 1.196 3143 D CA 0.194 54.201 54.000 0.012 0.000 0.979 3143 D CB 0.738 41.545 40.800 0.012 0.000 1.059 3143 D HN 0.268 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 -0.023 4.097 4.120 0.000 0.000 0.242 3144 V C 1.876 177.972 176.094 0.003 0.000 1.059 3144 V CA 0.717 63.018 62.300 0.002 0.000 1.081 3144 V CB -0.093 31.727 31.823 -0.005 0.000 0.752 3144 V HN 0.557 nan 8.190 nan 0.000 0.472 3145 M N -0.419 119.181 119.600 0.001 0.000 2.371 3145 M HA 0.286 4.766 4.480 0.000 0.000 0.246 3145 M C 0.382 176.695 176.300 0.022 0.000 1.103 3145 M CA 0.106 55.411 55.300 0.007 0.000 1.010 3145 M CB -0.645 31.951 32.600 -0.007 0.000 1.457 3145 M HN 0.379 nan 8.290 nan 0.000 0.486 3146 N N 1.200 119.912 118.700 0.021 0.000 2.705 3146 N HA -0.142 4.598 4.740 0.000 0.000 0.255 3146 N C 1.008 176.557 175.510 0.064 0.000 1.008 3146 N CA 0.252 53.324 53.050 0.037 0.000 0.742 3146 N CB -1.127 37.387 38.487 0.045 0.000 0.906 3146 N HN 0.149 nan 8.380 nan 0.000 0.541 3147 V N -0.221 119.714 119.914 0.035 0.000 2.255 3147 V HA -0.107 4.013 4.120 0.000 0.000 0.247 3147 V C 1.405 177.601 176.094 0.170 0.000 1.051 3147 V CA 1.570 63.903 62.300 0.056 0.000 1.018 3147 V CB 0.024 31.762 31.823 -0.140 0.000 0.641 3147 V HN 0.404 nan 8.190 nan 0.000 0.445 3148 I N 0.407 121.026 120.570 0.081 0.000 2.447 3148 I HA 0.504 4.674 4.170 0.000 0.000 0.287 3148 I C -1.137 175.013 176.117 0.056 0.000 1.023 3148 I CA -0.317 61.040 61.300 0.094 0.000 1.083 3148 I CB 1.793 39.829 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 0.786 5.426 4.640 0.000 0.000 0.223 3149 D C -1.670 174.671 176.300 0.068 0.000 1.240 3149 D CA -0.310 53.724 54.000 0.056 0.000 0.801 3149 D CB 2.255 43.091 40.800 0.059 0.000 1.556 3149 D HN 0.698 nan 8.370 nan 0.000 0.462 3150 A N 2.437 125.300 122.820 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 1.411 20.461 19.000 0.083 0.000 1.285 3150 A HN 0.438 nan 8.150 nan 0.000 0.396 3151 P HA 0.277 nan 4.420 nan 0.000 0.268 3151 P C 0.989 178.412 177.300 0.204 0.000 1.204 3151 P CA 0.509 63.701 63.100 0.153 0.000 0.768 3151 P CB 1.227 33.000 31.700 0.121 0.000 0.842 3152 A N 3.484 126.383 122.820 0.131 0.000 1.978 3152 A HA -0.030 4.290 4.320 0.000 0.000 0.220 3152 A C 1.116 178.814 177.584 0.190 0.000 1.170 3152 A CA 1.890 54.000 52.037 0.120 0.000 0.636 3152 A CB -0.926 18.117 19.000 0.071 0.000 0.810 3152 A HN 0.741 nan 8.150 nan 0.000 0.448 3153 T N -3.742 110.917 114.554 0.175 0.000 2.883 3153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 3153 T C -0.864 173.858 174.700 0.036 0.000 1.158 3153 T CA -0.626 61.562 62.100 0.145 0.000 1.007 3153 T CB 1.504 70.412 68.868 0.066 0.000 1.186 3153 T HN 0.173 nan 8.240 nan 0.000 0.499 3154 I N 1.769 122.283 120.570 -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 -0.188 0.000 1.100 3154 I CB 1.409 39.160 38.000 -0.415 0.000 1.238 3154 I HN 1.024 nan 8.210 nan 0.000 0.445 3155 A N 4.694 127.463 122.820 -0.085 0.000 2.346 3155 A HA 0.698 5.018 4.320 0.000 0.000 0.252 3155 A C 0.655 178.199 177.584 -0.067 0.000 1.089 3155 A CA -0.247 51.753 52.037 -0.061 0.000 0.797 3155 A CB 0.437 19.415 19.000 -0.036 0.000 1.047 3155 A HN 0.838 nan 8.150 nan 0.000 0.494 3156 A N -0.061 122.736 122.820 -0.040 0.000 2.567 3156 A HA 0.458 4.778 4.320 0.000 0.000 0.240 3156 A C 1.619 179.185 177.584 -0.030 0.000 1.053 3156 A CA 0.921 52.949 52.037 -0.016 0.000 0.755 3156 A CB -1.016 18.005 19.000 0.034 0.000 0.978 3156 A HN 2.754 nan 8.150 nan 0.000 0.507 3157 G N 0.703 109.476 108.800 -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 0.519 175.387 174.900 -0.054 0.000 0.979 3157 G CA 0.610 45.683 45.100 -0.046 0.000 0.641 3157 G HN 2.195 nan 8.290 nan 0.000 0.530 3158 A N -0.579 122.199 122.820 -0.069 0.000 2.281 3158 A HA 0.881 5.201 4.320 0.000 0.000 0.329 3158 A C 0.175 177.703 177.584 -0.092 0.000 1.122 3158 A CA 0.535 52.530 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 0.702 nan 8.150 nan 0.000 0.495 3159 T N 0.571 115.082 114.554 -0.072 0.000 2.812 3159 T HA 0.625 4.975 4.350 0.000 0.000 0.282 3159 T C 0.157 174.823 174.700 -0.056 0.000 0.990 3159 T CA 0.020 62.078 62.100 -0.071 0.000 0.960 3159 T CB 1.533 70.376 68.868 -0.043 0.000 0.948 3159 T HN 1.053 nan 8.240 nan 0.000 0.438 3160 G N 1.865 110.625 108.800 -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 -0.969 173.947 174.900 0.027 0.000 1.170 3160 G CA -0.607 44.480 45.100 -0.022 0.000 0.943 3160 G HN 0.490 nan 8.290 nan 0.000 0.483 3161 E N 0.674 120.906 120.200 0.052 0.000 2.183 3161 E HA 0.487 4.837 4.350 0.000 0.000 0.271 3161 E C -0.440 176.218 176.600 0.097 0.000 0.919 3161 E CA -0.421 56.019 56.400 0.067 0.000 0.781 3161 E CB 2.450 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 0.869 122.160 121.223 0.114 0.000 2.354 3162 L HA 0.653 4.993 4.340 0.000 0.000 0.264 3162 L C -0.120 176.808 176.870 0.097 0.000 1.008 3162 L CA -0.887 54.027 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 0.332 nan 8.230 nan 0.000 0.420 3163 T N 2.158 116.764 114.554 0.087 0.000 2.916 3163 T HA 0.703 5.053 4.350 0.000 0.000 0.298 3163 T C -0.857 173.885 174.700 0.069 0.000 1.031 3163 T CA -0.438 61.706 62.100 0.074 0.000 0.993 3163 T CB 2.281 71.213 68.868 0.107 0.000 1.045 3163 T HN 0.504 nan 8.240 nan 0.000 0.454 3164 M N 2.934 122.544 119.600 0.016 0.000 2.484 3164 M HA 0.671 5.151 4.480 0.000 0.000 0.289 3164 M C -2.434 173.808 176.300 -0.097 0.000 1.206 3164 M CA -0.710 54.576 55.300 -0.023 0.000 0.892 3164 M CB 1.761 34.323 32.600 -0.064 0.000 1.712 3164 M HN 0.631 nan 8.290 nan 0.000 0.462 3165 Y N 2.585 122.845 120.300 -0.067 0.000 2.462 3165 Y HA 0.704 5.254 4.550 0.000 0.000 0.346 3165 Y C -1.563 174.372 175.900 0.058 0.000 0.976 3165 Y CA -0.327 57.843 58.100 0.116 0.000 1.044 3165 Y CB 2.086 40.669 38.460 0.204 0.000 1.230 3165 Y HN 0.621 nan 8.280 nan 0.000 0.455 3166 Y N 1.426 122.009 120.300 0.473 0.000 2.477 3166 Y HA 0.269 4.819 4.550 0.000 0.000 0.347 3166 Y C -0.945 175.172 175.900 0.363 0.000 0.981 3166 Y CA -1.523 56.758 58.100 0.302 0.000 1.033 3166 Y CB 1.938 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 5.217 126.606 121.300 0.148 0.000 2.329 3167 W HA 0.657 5.317 4.660 0.000 0.000 0.312 3167 W C -1.858 174.685 176.519 0.040 0.000 1.054 3167 W CA -1.017 56.404 57.345 0.126 0.000 1.245 3167 W CB 1.407 30.899 29.460 0.053 0.000 1.255 3167 W HN 0.306 nan 8.180 nan 0.000 0.436 3168 V N 9.459 129.095 119.914 -0.465 0.000 2.334 3168 V HA 0.184 4.304 4.120 0.000 0.000 0.267 3168 V C -1.590 174.003 176.094 -0.834 0.000 1.040 3168 V CA -1.552 60.473 62.300 -0.457 0.000 0.866 3168 V CB 0.882 32.567 31.823 -0.230 0.000 1.019 3168 V HN 0.367 nan 8.190 nan 0.000 0.468 3169 P HA 0.391 nan 4.420 nan 0.000 0.282 3169 P C 0.047 177.218 177.300 -0.215 0.000 1.249 3169 P CA -0.296 62.597 63.100 -0.345 0.000 0.806 3169 P CB 2.503 34.323 31.700 0.201 0.000 0.984 3170 L N 1.265 122.414 121.223 -0.124 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 0.096 54.891 54.840 -0.076 0.000 0.855 3170 L CB -0.784 41.104 42.059 -0.284 0.000 1.235 3170 L HN 0.324 nan 8.230 nan 0.000 0.499 3171 A N -0.920 121.998 122.820 0.163 0.000 2.407 3171 A HA -0.006 4.314 4.320 0.000 0.000 0.248 3171 A C 0.513 178.265 177.584 0.280 0.000 1.082 3171 A CA 0.016 52.174 52.037 0.201 0.000 0.785 3171 A CB -0.003 19.076 19.000 0.133 0.000 1.020 3171 A HN 0.357 nan 8.150 nan 0.000 0.489 3172 Y N 2.219 122.522 120.300 0.005 0.000 2.181 3172 Y HA -0.010 4.540 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 1.713 59.653 58.100 -0.268 0.000 1.164 3172 Y CB 0.011 38.331 38.460 -0.233 0.000 0.982 3172 Y HN 0.884 nan 8.280 nan 0.000 0.515 3173 S N -2.435 113.243 115.700 -0.036 0.000 2.757 3173 S HA 0.262 4.732 4.470 0.000 0.000 0.285 3173 S C 0.365 174.949 174.600 -0.026 0.000 1.196 3173 S CA -0.626 57.507 58.200 -0.111 0.000 0.856 3173 S CB 1.063 64.173 63.200 -0.150 0.000 1.212 3173 S HN 0.075 nan 8.310 nan 0.000 0.516 3174 E N 1.074 121.229 120.200 -0.076 0.000 2.268 3174 E HA -0.018 4.332 4.350 0.000 0.000 0.195 3174 E C 1.713 178.289 176.600 -0.041 0.000 0.995 3174 E CA 1.901 58.259 56.400 -0.071 0.000 0.836 3174 E CB -0.364 29.265 29.700 -0.119 0.000 0.763 3174 E HN 0.847 nan 8.360 nan 0.000 0.491 3175 T N -2.446 112.095 114.554 -0.021 0.000 2.971 3175 T HA 0.052 4.402 4.350 0.000 0.000 0.252 3175 T C 0.471 175.184 174.700 0.020 0.000 1.022 3175 T CA -0.294 61.803 62.100 -0.006 0.000 0.980 3175 T CB 0.425 69.289 68.868 -0.007 0.000 1.044 3175 T HN -0.201 nan 8.240 nan 0.000 0.501 3176 D N 1.220 121.654 120.400 0.057 0.000 2.441 3176 D HA 0.308 4.948 4.640 0.000 0.000 0.231 3176 D C 0.618 176.960 176.300 0.070 0.000 1.073 3176 D CA -0.718 53.329 54.000 0.078 0.000 0.850 3176 D CB 0.947 41.858 40.800 0.185 0.000 1.062 3176 D HN 0.210 nan 8.370 nan 0.000 0.524 3177 L N 2.585 123.820 121.223 0.021 0.000 2.645 3177 L HA 0.083 4.423 4.340 0.000 0.000 0.235 3177 L C 0.755 177.622 176.870 -0.004 0.000 1.150 3177 L CA 0.170 55.022 54.840 0.019 0.000 0.911 3177 L CB -0.374 41.687 42.059 0.004 0.000 1.077 3177 L HN 0.262 nan 8.230 nan 0.000 0.438 3178 T N 0.755 115.272 114.554 -0.061 0.000 2.871 3178 T HA 0.247 4.597 4.350 0.000 0.000 0.296 3178 T C 1.246 175.922 174.700 -0.041 0.000 0.998 3178 T CA 1.009 62.991 62.100 -0.195 0.000 1.162 3178 T CB 0.912 69.440 68.868 -0.567 0.000 0.947 3178 T HN 0.623 nan 8.240 nan 0.000 0.536 3179 G N 2.073 110.876 108.800 0.006 0.000 2.213 3179 G HA2 -0.093 3.867 3.960 0.000 0.000 0.236 3179 G HA3 -0.093 3.867 3.960 0.000 0.000 0.236 3179 G C 0.373 175.379 174.900 0.177 0.000 0.991 3179 G CA -0.039 45.167 45.100 0.177 0.000 0.629 3179 G HN 1.150 nan 8.290 nan 0.000 0.517 3180 A N -0.496 122.383 122.820 0.099 0.000 2.429 3180 A HA 0.644 4.964 4.320 0.000 0.000 0.242 3180 A C 0.410 178.038 177.584 0.073 0.000 1.088 3180 A CA 0.814 52.887 52.037 0.060 0.000 0.784 3180 A CB 0.830 19.852 19.000 0.037 0.000 1.038 3180 A HN 1.214 nan 8.150 nan 0.000 0.501 3181 V N 1.613 121.549 119.914 0.036 0.000 2.487 3181 V HA 0.322 4.442 4.120 0.000 0.000 0.298 3181 V C -0.565 175.563 176.094 0.056 0.000 1.028 3181 V CA -0.506 61.837 62.300 0.072 0.000 0.860 3181 V CB 1.403 33.271 31.823 0.075 0.000 0.991 3181 V HN 0.775 nan 8.190 nan 0.000 0.427 3182 L N 5.315 126.578 121.223 0.067 0.000 2.283 3182 L HA 0.715 5.055 4.340 0.000 0.000 0.287 3182 L C 0.485 177.390 176.870 0.059 0.000 1.073 3182 L CA 0.157 55.028 54.840 0.051 0.000 0.822 3182 L CB 0.769 42.863 42.059 0.059 0.000 1.186 3182 L HN 0.746 nan 8.230 nan 0.000 0.436 3183 A N 4.309 127.152 122.820 0.039 0.000 2.938 3183 A HA 0.494 4.814 4.320 0.000 0.000 0.344 3183 A C -0.065 177.532 177.584 0.021 0.000 1.142 3183 A CA -0.444 51.616 52.037 0.038 0.000 0.841 3183 A CB -0.624 18.399 19.000 0.039 0.000 1.083 3183 A HN 0.811 nan 8.150 nan 0.000 0.479 3184 N N -0.085 118.643 118.700 0.047 0.000 2.299 3184 N HA 0.183 4.923 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 1.769 121.711 119.914 0.046 0.000 2.277 3185 V HA 0.424 4.544 4.120 0.000 0.000 0.269 3185 V C -2.163 173.946 176.094 0.025 0.000 1.036 3185 V CA -1.611 60.712 62.300 0.037 0.000 0.821 3185 V CB 0.814 32.660 31.823 0.037 0.000 1.052 3185 V HN 0.082 nan 8.190 nan 0.000 0.462 3186 P HA 0.328 nan 4.420 nan 0.000 0.266 3186 P C 0.628 177.933 177.300 0.009 0.000 1.195 3186 P CA 1.293 64.401 63.100 0.014 0.000 0.768 3186 P CB 0.518 32.227 31.700 0.014 0.000 0.838 3187 Q N -0.406 119.396 119.800 0.003 0.000 2.360 3187 Q HA -0.208 4.132 4.340 0.000 0.000 0.192 3187 Q C 0.451 176.447 176.000 -0.006 0.000 0.615 3187 Q CA 1.419 57.221 55.803 -0.002 0.000 1.355 3187 Q CB -2.736 26.002 28.738 -0.001 0.000 1.324 3187 Q HN 0.512 nan 8.270 nan 0.000 0.885 3188 S N 0.364 116.062 115.700 -0.002 0.000 2.653 3188 S HA 0.545 5.016 4.470 0.000 0.000 0.272 3188 S C -0.213 174.383 174.600 -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 63.597 63.200 0.006 0.000 1.029 3188 S HN 0.830 nan 8.310 nan 0.000 0.481 3189 K N 3.347 123.733 120.400 -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 -0.857 55.414 56.287 -0.026 0.000 0.915 3189 K CB 0.917 33.398 32.500 -0.033 0.000 1.043 3189 K HN 0.464 nan 8.250 nan 0.000 0.457 3190 Q N 0.673 120.448 119.800 -0.042 0.000 2.185 3190 Q HA 0.395 4.735 4.340 0.000 0.000 0.225 3190 Q C -0.767 175.140 176.000 -0.155 0.000 0.983 3190 Q CA -0.825 54.912 55.803 -0.110 0.000 0.950 3190 Q CB 1.333 30.079 28.738 0.013 0.000 1.176 3190 Q HN 0.446 nan 8.270 nan 0.000 0.510 3191 R N 0.639 120.977 120.500 -0.270 0.000 2.533 3191 R HA 0.419 4.759 4.340 0.000 0.000 0.288 3191 R C -1.762 174.408 176.300 -0.215 0.000 1.039 3191 R CA -0.729 55.255 56.100 -0.193 0.000 0.909 3191 R CB 1.342 31.550 30.300 -0.154 0.000 1.195 3191 R HN 0.351 nan 8.270 nan 0.000 0.438 3192 L N 3.361 124.469 121.223 -0.192 0.000 2.324 3192 L HA 0.410 4.750 4.340 0.000 0.000 0.274 3192 L C -0.962 175.798 176.870 -0.184 0.000 1.012 3192 L CA -0.285 54.426 54.840 -0.215 0.000 0.859 3192 L CB 0.972 42.768 42.059 -0.438 0.000 1.224 3192 L HN 0.419 nan 8.230 nan 0.000 0.429 3193 K N 6.143 126.464 120.400 -0.133 0.000 2.227 3193 K HA 0.552 4.872 4.320 0.000 0.000 0.280 3193 K C -1.173 175.296 176.600 -0.218 0.000 1.041 3193 K CA -0.398 55.810 56.287 -0.131 0.000 0.905 3193 K CB 1.295 33.760 32.500 -0.059 0.000 1.068 3193 K HN 0.546 nan 8.250 nan 0.000 0.470 3194 L N 3.356 124.424 121.223 -0.258 0.000 2.325 3194 L HA 0.324 4.664 4.340 0.000 0.000 0.281 3194 L C -0.268 176.362 176.870 -0.400 0.000 1.004 3194 L CA -0.553 54.007 54.840 -0.468 0.000 0.823 3194 L CB 1.529 43.177 42.059 -0.686 0.000 1.236 3194 L HN 0.527 nan 8.230 nan 0.000 0.415 3195 E N 3.807 123.753 120.200 -0.424 0.000 2.114 3195 E HA 0.392 4.742 4.350 0.000 0.000 0.266 3195 E C -1.094 175.337 176.600 -0.282 0.000 0.896 3195 E CA -0.451 55.814 56.400 -0.224 0.000 0.750 3195 E CB 1.447 31.062 29.700 -0.140 0.000 1.121 3195 E HN 0.261 nan 8.360 nan 0.000 0.413 3196 F N 1.289 121.261 119.950 0.037 0.000 2.370 3196 F HA 0.412 4.939 4.527 0.000 0.000 0.319 3196 F C 1.100 176.924 175.800 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 39.796 39.000 0.193 0.000 1.262 3196 F HN 0.399 nan 8.300 nan 0.000 0.534 3197 A N 1.617 124.581 122.820 0.240 0.000 2.406 3197 A HA 0.447 4.767 4.320 0.000 0.000 0.243 3197 A C -0.308 177.327 177.584 0.085 0.000 1.082 3197 A CA -0.276 51.863 52.037 0.170 0.000 0.786 3197 A CB -0.061 19.094 19.000 0.259 0.000 1.029 3197 A HN 0.855 nan 8.150 nan 0.000 0.495 3198 N N -0.656 118.164 118.700 0.200 0.000 3.157 3198 N HA 0.237 4.977 4.740 0.000 0.000 0.291 3198 N C -0.069 175.695 175.510 0.424 0.000 1.515 3198 N CA -0.826 52.375 53.050 0.252 0.000 0.807 3198 N CB 0.106 38.706 38.487 0.188 0.000 1.672 3198 N HN 0.288 nan 8.380 nan 0.000 0.592 3199 N N -0.184 118.789 118.700 0.455 0.000 2.272 3199 N HA -0.093 4.647 4.740 0.000 0.000 0.185 3199 N C 0.452 176.147 175.510 0.309 0.000 1.014 3199 N CA 0.849 54.180 53.050 0.468 0.000 0.870 3199 N CB -0.495 38.249 38.487 0.429 0.000 0.975 3199 N HN 0.482 nan 8.380 nan 0.000 0.433 3200 N N -0.145 118.682 118.700 0.212 0.000 2.171 3200 N HA -0.072 4.668 4.740 0.000 0.000 0.184 3200 N C 1.888 177.462 175.510 0.107 0.000 1.021 3200 N CA 1.612 54.755 53.050 0.154 0.000 0.854 3200 N CB -0.569 37.993 38.487 0.125 0.000 0.994 3200 N HN 0.460 nan 8.380 nan 0.000 0.426 3201 T N -1.974 112.633 114.554 0.089 0.000 3.009 3201 T HA 0.254 4.604 4.350 0.000 0.000 0.258 3201 T C 1.907 176.587 174.700 -0.032 0.000 1.063 3201 T CA 0.735 62.868 62.100 0.055 0.000 1.139 3201 T CB -0.093 68.828 68.868 0.088 0.000 0.890 3201 T HN 0.101 nan 8.240 nan 0.000 0.471 3202 A N 0.630 123.338 122.820 -0.186 0.000 2.067 3202 A HA 0.415 4.735 4.320 0.000 0.000 0.217 3202 A C 0.423 177.564 177.584 -0.738 0.000 1.156 3202 A CA 0.053 51.764 52.037 -0.543 0.000 0.683 3202 A CB -0.480 17.986 19.000 -0.890 0.000 0.808 3202 A HN 0.588 nan 8.150 nan 0.000 0.455 3203 F N -0.496 119.505 119.950 0.086 0.000 2.477 3203 F HA 0.640 5.167 4.527 0.000 0.000 0.335 3203 F C 0.280 176.111 175.800 0.051 0.000 1.130 3203 F CA -0.758 57.279 58.000 0.060 0.000 0.948 3203 F CB 1.741 40.757 39.000 0.026 0.000 1.154 3203 F HN 0.073 nan 8.300 nan 0.000 0.439 3204 A N 2.338 125.271 122.820 0.188 0.000 2.318 3204 A HA 0.853 5.173 4.320 0.000 0.000 0.324 3204 A C -0.196 177.444 177.584 0.094 0.000 1.170 3204 A CA -0.605 51.497 52.037 0.109 0.000 0.810 3204 A CB 0.711 19.743 19.000 0.054 0.000 1.198 3204 A HN 0.907 nan 8.150 nan 0.000 0.484 3205 A N 1.654 124.517 122.820 0.072 0.000 2.346 3205 A HA 0.530 4.850 4.320 0.000 0.000 0.252 3205 A C 0.424 178.024 177.584 0.027 0.000 1.089 3205 A CA -0.287 51.776 52.037 0.044 0.000 0.797 3205 A CB -0.024 19.000 19.000 0.040 0.000 1.047 3205 A HN 1.194 nan 8.150 nan 0.000 0.494 3206 V N 1.033 120.954 119.914 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 1.833 64.135 62.300 0.004 0.000 1.161 3206 V CB 0.055 31.874 31.823 -0.007 0.000 0.916 3206 V HN 1.959 nan 8.190 nan 0.000 0.490 3207 G N 3.298 112.102 108.800 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 0.434 175.339 174.900 0.008 0.000 0.988 3207 G CA 0.308 45.410 45.100 0.003 0.000 0.625 3207 G HN 1.505 nan 8.290 nan 0.000 0.527 3208 A N -0.155 122.675 122.820 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 0.153 52.204 52.037 0.023 0.000 0.828 3208 A CB 0.368 19.389 19.000 0.034 0.000 1.091 3208 A HN 0.540 nan 8.150 nan 0.000 0.493 3209 N N 1.175 119.895 118.700 0.033 0.000 2.431 3209 N HA 0.140 4.880 4.740 0.000 0.000 0.265 3209 N C -1.698 173.833 175.510 0.036 0.000 1.184 3209 N CA -1.440 51.644 53.050 0.057 0.000 0.943 3209 N CB 0.987 39.509 38.487 0.058 0.000 1.080 3209 N HN 0.350 nan 8.380 nan 0.000 0.477 3210 P HA -0.024 nan 4.420 nan 0.000 0.255 3210 P C 1.533 178.655 177.300 -0.295 0.000 1.248 3210 P CA -0.115 62.910 63.100 -0.124 0.000 0.807 3210 P CB 0.462 32.064 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 1.762 178.444 176.870 -0.314 0.000 1.077 3211 L CA 2.206 56.787 54.840 -0.431 0.000 0.773 3211 L CB -0.883 41.144 42.059 -0.053 0.000 0.892 3211 L HN -0.119 nan 8.230 nan 0.000 0.436 3212 E N -0.202 119.960 120.200 -0.063 0.000 2.474 3212 E HA 0.312 4.662 4.350 0.000 0.000 0.195 3212 E C 0.644 177.271 176.600 0.044 0.000 1.039 3212 E CA 0.585 57.034 56.400 0.081 0.000 0.881 3212 E CB -0.007 29.773 29.700 0.133 0.000 0.970 3212 E HN 0.566 nan 8.360 nan 0.000 0.486 3213 A N 0.684 123.478 122.820 -0.042 0.000 2.271 3213 A HA 0.482 4.802 4.320 0.000 0.000 0.288 3213 A C 1.114 178.654 177.584 -0.074 0.000 1.094 3213 A CA -0.394 51.610 52.037 -0.055 0.000 0.828 3213 A CB 0.483 19.456 19.000 -0.046 0.000 1.091 3213 A HN 0.052 nan 8.150 nan 0.000 0.493 3214 I N -1.347 119.165 120.570 -0.096 0.000 3.039 3214 I HA 0.117 4.287 4.170 0.000 0.000 0.270 3214 I C -0.385 175.534 176.117 -0.330 0.000 1.150 3214 I CA 0.667 61.873 61.300 -0.157 0.000 1.448 3214 I CB 0.010 37.967 38.000 -0.072 0.000 1.197 3214 I HN 0.592 nan 8.210 nan 0.000 0.450 3215 Y N 0.362 120.683 120.300 0.035 0.000 2.512 3215 Y HA 0.553 5.103 4.550 0.000 0.000 0.348 3215 Y C -0.278 175.684 175.900 0.103 0.000 0.990 3215 Y CA -0.737 57.425 58.100 0.103 0.000 1.033 3215 Y CB 1.789 40.372 38.460 0.206 0.000 1.259 3215 Y HN -0.069 nan 8.280 nan 0.000 0.461 3216 Q N 1.566 121.489 119.800 0.205 0.000 2.359 3216 Q HA 0.769 5.109 4.340 0.000 0.000 0.274 3216 Q C -1.018 175.036 176.000 0.091 0.000 1.074 3216 Q CA -0.656 55.218 55.803 0.119 0.000 0.810 3216 Q CB 2.587 31.350 28.738 0.042 0.000 1.342 3216 Q HN 0.965 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 0.377 4.337 3.960 0.000 0.000 0.298 3217 G HA3 0.377 4.337 3.960 0.000 0.000 0.298 3217 G C -0.366 174.499 174.900 -0.059 0.000 1.385 3217 G CA -0.140 44.958 45.100 -0.004 0.000 0.856 3217 G HN 0.683 nan 8.290 nan 0.000 0.584 3218 A N -0.845 121.909 122.820 -0.111 0.000 2.178 3218 A HA 0.351 4.671 4.320 0.000 0.000 0.218 3218 A C 2.157 179.502 177.584 -0.399 0.000 1.157 3218 A CA 2.532 54.456 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 1.922 nan 8.150 nan 0.000 0.465 3219 G N -1.733 106.843 108.800 -0.373 0.000 3.126 3219 G HA2 0.335 4.295 3.960 0.000 0.000 0.224 3219 G HA3 0.335 4.295 3.960 0.000 0.000 0.224 3219 G C 1.318 176.116 174.900 -0.169 0.000 1.142 3219 G CA 0.844 45.670 45.100 -0.457 0.000 0.759 3219 G HN 0.585 nan 8.290 nan 0.000 0.550 3220 A N 1.597 124.354 122.820 -0.104 0.000 1.903 3220 A HA 0.039 4.359 4.320 0.000 0.000 0.219 3220 A C 2.778 180.347 177.584 -0.026 0.000 1.191 3220 A CA 2.414 54.431 52.037 -0.032 0.000 0.638 3220 A CB -0.829 18.215 19.000 0.073 0.000 0.823 3220 A HN 0.858 nan 8.150 nan 0.000 0.451 3221 A N -0.822 122.015 122.820 0.029 0.000 2.032 3221 A HA -0.175 4.145 4.320 0.000 0.000 0.221 3221 A C 1.416 179.007 177.584 0.012 0.000 1.165 3221 A CA 1.820 53.887 52.037 0.051 0.000 0.645 3221 A CB -0.373 18.673 19.000 0.077 0.000 0.807 3221 A HN 0.503 nan 8.150 nan 0.000 0.453 3222 D N -1.207 119.192 120.400 -0.003 0.000 2.388 3222 D HA 0.183 4.823 4.640 0.000 0.000 0.221 3222 D C -0.424 175.761 176.300 -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 40.704 40.800 -0.003 0.000 0.962 3222 D HN 0.284 nan 8.370 nan 0.000 0.502 3223 C N 1.155 120.221 119.300 -0.390 0.000 2.401 3223 C HA 0.460 4.920 4.460 0.000 0.000 0.365 3223 C C 0.598 175.159 174.990 -0.715 0.000 1.250 3223 C CA -0.473 58.066 59.018 -0.799 0.000 2.131 3223 C CB 0.795 27.560 27.740 -1.626 0.000 2.445 3223 C HN 0.205 nan 8.230 nan 0.000 0.550 3224 E N 0.662 120.564 120.200 -0.497 0.000 2.343 3224 E HA 0.361 4.711 4.350 0.000 0.000 0.278 3224 E C -1.377 175.243 176.600 0.032 0.000 0.910 3224 E CA -0.484 55.870 56.400 -0.077 0.000 0.757 3224 E CB 1.564 31.266 29.700 0.003 0.000 1.218 3224 E HN 0.486 nan 8.360 nan 0.000 0.435 3225 F N 1.762 121.862 119.950 0.250 0.000 2.459 3225 F HA 0.054 4.581 4.527 0.000 0.000 0.346 3225 F C 1.811 177.649 175.800 0.063 0.000 1.128 3225 F CA 0.355 58.458 58.000 0.172 0.000 1.268 3225 F CB 0.769 39.853 39.000 0.140 0.000 1.161 3225 F HN 0.496 nan 8.300 nan 0.000 0.583 3226 E N 1.223 121.557 120.200 0.224 0.000 2.201 3226 E HA 0.042 4.392 4.350 0.000 0.000 0.193 3226 E C -0.211 176.424 176.600 0.058 0.000 0.957 3226 E CA 0.578 57.039 56.400 0.102 0.000 0.858 3226 E CB 0.355 30.085 29.700 0.050 0.000 0.816 3226 E HN 0.803 nan 8.360 nan 0.000 0.475 3227 E N -0.504 119.722 120.200 0.043 0.000 2.403 3227 E HA 0.507 4.857 4.350 0.000 0.000 0.280 3227 E C -1.135 175.305 176.600 -0.267 0.000 1.101 3227 E CA -0.523 55.787 56.400 -0.150 0.000 0.856 3227 E CB 0.963 30.574 29.700 -0.147 0.000 1.303 3227 E HN -0.134 nan 8.360 nan 0.000 0.441 3228 I N 0.929 121.089 120.570 -0.683 0.000 2.686 3228 I HA 0.547 4.717 4.170 0.000 0.000 0.295 3228 I C -0.982 174.601 176.117 -0.890 0.000 1.114 3228 I CA -0.939 59.884 61.300 -0.795 0.000 1.038 3228 I CB 2.289 39.583 38.000 -1.177 0.000 1.238 3228 I HN 0.562 nan 8.210 nan 0.000 0.420 3229 S N 4.062 119.471 115.700 -0.485 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 57.554 58.200 -0.353 0.000 0.905 3229 S CB 1.390 64.449 63.200 -0.235 0.000 1.081 3229 S HN 0.472 nan 8.310 nan 0.000 0.477 3230 Y N -0.030 120.184 120.300 -0.145 0.000 2.553 3230 Y HA 0.835 5.385 4.550 0.000 0.000 0.347 3230 Y C -0.872 175.005 175.900 -0.039 0.000 1.019 3230 Y CA -0.881 57.198 58.100 -0.034 0.000 1.032 3230 Y CB 1.413 39.936 38.460 0.106 0.000 1.284 3230 Y HN 0.421 nan 8.280 nan 0.000 0.466 3231 T N 2.965 117.654 114.554 0.225 0.000 3.011 3231 T HA 0.503 4.853 4.350 0.000 0.000 0.303 3231 T C -1.435 173.361 174.700 0.159 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 4.228 124.214 119.914 0.120 0.000 2.394 3232 V HA 0.475 4.595 4.120 0.000 0.000 0.282 3232 V C -1.078 175.046 176.094 0.051 0.000 1.031 3232 V CA -0.728 61.668 62.300 0.159 0.000 0.881 3232 V CB 0.749 32.656 31.823 0.141 0.000 0.982 3232 V HN 0.810 nan 8.190 nan 0.000 0.451 3233 Y N 3.026 123.507 120.300 0.302 0.000 2.352 3233 Y HA 0.498 5.048 4.550 0.000 0.000 0.339 3233 Y C 0.299 176.396 175.900 0.328 0.000 0.992 3233 Y CA -0.346 57.928 58.100 0.289 0.000 1.100 3233 Y CB 1.721 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 2.122 122.185 119.800 0.438 0.000 2.290 3234 Q HA 0.433 4.773 4.340 0.000 0.000 0.259 3234 Q C -0.927 175.222 176.000 0.248 0.000 0.941 3234 Q CA -0.556 55.415 55.803 0.281 0.000 0.912 3234 Q CB 1.339 30.284 28.738 0.344 0.000 1.244 3234 Q HN 0.657 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 -1.375 173.283 174.600 0.097 0.000 1.115 3235 S CA -0.359 57.906 58.200 0.109 0.000 1.095 3235 S CB 0.202 63.578 63.200 0.292 0.000 0.987 3235 S HN 0.564 nan 8.310 nan 0.000 0.474 3236 Y N 2.131 122.418 120.300 -0.022 0.000 2.744 3236 Y HA 0.723 5.273 4.550 0.000 0.000 0.330 3236 Y C -1.847 174.039 175.900 -0.024 0.000 1.263 3236 Y CA -1.568 56.508 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 -1.016 175.964 176.870 0.183 0.000 1.013 3237 L CA -0.571 54.303 54.840 0.057 0.000 0.816 3237 L CB 1.483 43.550 42.059 0.013 0.000 1.236 3237 L HN 0.667 nan 8.230 nan 0.000 0.419 3238 D N 1.342 121.829 120.400 0.145 0.000 2.384 3238 D HA 0.271 4.911 4.640 0.000 0.000 0.250 3238 D C -0.414 175.944 176.300 0.098 0.000 1.029 3238 D CA -0.052 54.060 54.000 0.187 0.000 0.990 3238 D CB 1.268 42.219 40.800 0.252 0.000 1.175 3238 D HN 0.427 nan 8.370 nan 0.000 0.532 3239 Q N 0.008 119.854 119.800 0.077 0.000 2.460 3239 Q HA -0.184 4.156 4.340 0.000 0.000 0.311 3239 Q C -0.512 175.494 176.000 0.010 0.000 1.396 3239 Q CA 0.117 55.953 55.803 0.055 0.000 0.838 3239 Q CB -1.366 27.415 28.738 0.071 0.000 1.140 3239 Q HN 0.409 nan 8.270 nan 0.000 0.415 3240 L N 2.139 123.310 121.223 -0.086 0.000 2.499 3240 L HA 0.170 4.510 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 -1.361 53.369 54.840 -0.184 0.000 0.882 3240 L CB -0.289 41.431 42.059 -0.565 0.000 1.133 3240 L HN 0.079 nan 8.230 nan 0.000 0.483 3241 P HA 0.070 nan 4.420 nan 0.000 0.268 3241 P C -0.764 176.635 177.300 0.165 0.000 1.204 3241 P CA -0.094 63.050 63.100 0.073 0.000 0.768 3241 P CB 1.176 32.905 31.700 0.048 0.000 0.842 3242 V N 2.901 122.920 119.914 0.175 0.000 2.513 3242 V HA 0.727 4.847 4.120 0.000 0.000 0.299 3242 V C 0.915 177.067 176.094 0.097 0.000 1.035 3242 V CA -0.034 62.378 62.300 0.187 0.000 0.889 3242 V CB 1.597 33.515 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 0.583 4.543 3.960 0.000 0.000 0.199 3243 G HA3 0.583 4.543 3.960 0.000 0.000 0.199 3243 G C -0.263 174.653 174.900 0.026 0.000 1.172 3243 G CA 0.236 45.364 45.100 0.046 0.000 0.844 3243 G HN 0.788 nan 8.290 nan 0.000 0.619 3244 Q N -1.365 118.447 119.800 0.020 0.000 2.844 3244 Q HA 0.528 4.868 4.340 0.000 0.000 0.235 3244 Q C 0.366 176.370 176.000 0.007 0.000 1.336 3244 Q CA 0.758 56.567 55.803 0.010 0.000 1.026 3244 Q CB -1.226 27.517 28.738 0.009 0.000 1.513 3244 Q HN 2.265 nan 8.270 nan 0.000 0.577 3245 N N -1.264 117.436 118.700 -0.000 0.000 3.400 3245 N HA 0.440 5.180 4.740 0.000 0.000 0.134 3245 N C 1.235 176.734 175.510 -0.018 0.000 1.073 3245 N CA 0.859 53.906 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 2.130 nan 8.380 nan 0.000 0.820 3246 G N -0.540 108.239 108.800 -0.034 0.000 2.484 3246 G HA2 -0.044 3.916 3.960 0.000 0.000 0.225 3246 G HA3 -0.044 3.916 3.960 0.000 0.000 0.225 3246 G C -0.227 174.680 174.900 0.010 0.000 1.250 3246 G CA -0.234 44.808 45.100 -0.097 0.000 0.926 3246 G HN 1.252 nan 8.290 nan 0.000 0.581 3247 Y N 0.347 120.657 120.300 0.017 0.000 2.712 3247 Y HA 0.298 4.848 4.550 0.000 0.000 0.333 3247 Y C 1.520 177.430 175.900 0.017 0.000 1.225 3247 Y CA -0.197 57.915 58.100 0.020 0.000 1.499 3247 Y CB 0.306 38.780 38.460 0.023 0.000 1.288 3247 Y HN 0.333 nan 8.280 nan 0.000 0.575 3248 I N 6.145 126.832 120.570 0.196 0.000 2.308 3248 I HA 0.127 4.297 4.170 0.000 0.000 0.293 3248 I C -0.603 175.560 176.117 0.076 0.000 1.078 3248 I CA 0.255 61.616 61.300 0.102 0.000 1.292 3248 I CB -0.004 38.039 38.000 0.071 0.000 1.423 3248 I HN 0.341 nan 8.210 nan 0.000 0.493 3249 L N 8.691 129.956 121.223 0.069 0.000 2.408 3249 L HA 0.506 4.846 4.340 0.000 0.000 0.268 3249 L C -2.391 174.495 176.870 0.026 0.000 0.986 3249 L CA -1.903 52.964 54.840 0.045 0.000 0.820 3249 L CB 2.352 44.451 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 0.672 32.364 31.700 -0.015 0.000 1.286 3251 L N 2.770 123.994 121.223 0.001 0.000 2.079 3251 L HA -0.177 4.163 4.340 0.000 0.000 0.210 3251 L C 2.420 179.281 176.870 -0.014 0.000 1.081 3251 L CA 1.421 56.262 54.840 0.002 0.000 0.752 3251 L CB -0.552 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 2.110 178.180 176.117 -0.080 0.000 1.093 3252 I CA 1.023 62.289 61.300 -0.057 0.000 1.380 3252 I CB -0.429 37.527 38.000 -0.073 0.000 1.067 3252 I HN 0.208 nan 8.210 nan 0.000 0.413 3253 D N 1.309 121.661 120.400 -0.079 0.000 2.106 3253 D HA -0.178 4.462 4.640 0.000 0.000 0.191 3253 D C 2.165 178.436 176.300 -0.048 0.000 0.997 3253 D CA 1.479 55.425 54.000 -0.091 0.000 0.834 3253 D CB -0.395 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 0.309 121.525 121.223 -0.012 0.000 2.551 3254 L HA -0.013 4.327 4.340 0.000 0.000 0.228 3254 L C 1.527 178.418 176.870 0.035 0.000 1.153 3254 L CA 0.714 55.569 54.840 0.025 0.000 0.851 3254 L CB -0.240 41.840 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 2.650 3255 S HA 0.179 4.649 4.470 0.000 0.000 0.240 3255 S C 0.505 175.094 174.600 -0.017 0.000 1.007 3255 S CA -0.558 57.646 58.200 0.007 0.000 0.984 3255 S CB 0.178 63.380 63.200 0.004 0.000 0.910 3255 S HN 0.086 nan 8.310 nan 0.000 0.509 3256 T N 2.822 117.353 114.554 -0.039 0.000 2.855 3256 T HA 0.598 4.948 4.350 0.000 0.000 0.281 3256 T C -0.570 174.109 174.700 -0.036 0.000 1.007 3256 T CA -0.594 61.462 62.100 -0.073 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 3.031 124.232 121.223 -0.037 0.000 2.295 3257 L HA 0.488 4.828 4.340 0.000 0.000 0.285 3257 L C -0.998 175.941 176.870 0.115 0.000 1.035 3257 L CA -1.123 53.672 54.840 -0.075 0.000 0.806 3257 L CB 0.826 42.732 42.059 -0.256 0.000 1.214 3257 L HN 0.625 nan 8.230 nan 0.000 0.426 3258 Y N 4.269 124.607 120.300 0.063 0.000 2.402 3258 Y HA 0.484 5.034 4.550 0.000 0.000 0.332 3258 Y C -0.877 174.968 175.900 -0.092 0.000 0.960 3258 Y CA -1.153 57.043 58.100 0.160 0.000 1.228 3258 Y CB 0.617 39.304 38.460 0.379 0.000 1.120 3258 Y HN 0.529 nan 8.280 nan 0.000 0.491 3259 N N 5.065 123.330 118.700 -0.724 0.000 2.312 3259 N HA 0.552 5.292 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 -0.829 0.000 0.773 3259 N CB 2.306 40.303 38.487 -0.816 0.000 1.435 3259 N HN 0.486 nan 8.380 nan 0.000 0.484 3260 L N 0.726 121.653 121.223 -0.494 0.000 2.346 3260 L HA 0.521 4.861 4.340 0.000 0.000 0.276 3260 L C 0.024 176.880 176.870 -0.024 0.000 1.006 3260 L CA -0.213 54.507 54.840 -0.200 0.000 0.817 3260 L CB 1.448 43.353 42.059 -0.256 0.000 1.272 3260 L HN 0.478 nan 8.230 nan 0.000 0.421 3261 E N 2.072 122.396 120.200 0.207 0.000 2.412 3261 E HA 0.475 4.825 4.350 0.000 0.000 0.279 3261 E C -1.539 175.152 176.600 0.152 0.000 0.984 3261 E CA -0.914 55.603 56.400 0.195 0.000 0.788 3261 E CB 2.973 32.855 29.700 0.303 0.000 1.277 3261 E HN 0.644 nan 8.360 nan 0.000 0.455 3262 N N -0.131 118.594 118.700 0.043 0.000 2.455 3262 N HA 0.533 5.273 4.740 0.000 0.000 0.278 3262 N C -1.268 174.272 175.510 0.049 0.000 1.291 3262 N CA -0.574 52.432 53.050 -0.073 0.000 0.780 3262 N CB 2.114 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 -1.249 114.489 115.700 0.064 0.000 2.656 3263 S HA 0.862 5.332 4.470 0.000 0.000 0.273 3263 S C -1.494 173.176 174.600 0.117 0.000 1.168 3263 S CA -0.960 57.306 58.200 0.110 0.000 0.817 3263 S CB 1.238 64.528 63.200 0.150 0.000 1.146 3263 S HN 1.035 nan 8.310 nan 0.000 0.475 3264 A N 0.949 123.843 122.820 0.124 0.000 2.355 3264 A HA 0.809 5.129 4.320 0.000 0.000 0.317 3264 A C -1.023 176.640 177.584 0.132 0.000 1.094 3264 A CA -0.677 51.439 52.037 0.132 0.000 0.764 3264 A CB 1.254 20.333 19.000 0.132 0.000 1.230 3264 A HN 0.614 nan 8.150 nan 0.000 0.448 3265 Q N 0.387 120.284 119.800 0.161 0.000 2.353 3265 Q HA 0.736 5.076 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 -0.438 55.505 55.803 0.233 0.000 0.811 3265 Q CB 2.218 31.145 28.738 0.315 0.000 1.305 3265 Q HN 0.977 nan 8.270 nan 0.000 0.447 3266 A N -0.281 122.695 122.820 0.260 0.000 2.435 3266 A HA 0.911 5.231 4.320 0.000 0.000 0.296 3266 A C 0.305 178.034 177.584 0.241 0.000 1.147 3266 A CA -0.168 51.941 52.037 0.120 0.000 0.775 3266 A CB 1.542 20.581 19.000 0.065 0.000 1.340 3266 A HN 0.975 nan 8.150 nan 0.000 0.427 3267 G N -0.854 107.980 108.800 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 -0.461 174.483 174.900 0.074 0.000 1.032 3267 G CA -0.127 45.078 45.100 0.174 0.000 0.697 3267 G HN 0.741 nan 8.290 nan 0.000 0.495 3268 L N 1.972 122.998 121.223 -0.328 0.000 2.371 3268 L HA 0.735 5.075 4.340 0.000 0.000 0.272 3268 L C 0.900 177.688 176.870 -0.137 0.000 1.124 3268 L CA 0.462 55.069 54.840 -0.389 0.000 0.816 3268 L CB 1.618 43.291 42.059 -0.644 0.000 1.129 3268 L HN 0.404 nan 8.230 nan 0.000 0.448 3269 T N 0.379 114.886 114.554 -0.078 0.000 2.933 3269 T HA 0.537 4.887 4.350 0.000 0.000 0.305 3269 T C -2.830 171.839 174.700 -0.052 0.000 1.092 3269 T CA -2.336 59.739 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 0.217 177.487 177.300 -0.050 0.000 1.173 3270 P CA 0.737 63.809 63.100 -0.046 0.000 0.760 3270 P CB -0.169 31.513 31.700 -0.029 0.000 0.783 3271 N N -1.132 117.523 118.700 -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 0.296 53.302 53.050 -0.074 0.000 0.831 3271 N CB -1.408 37.058 38.487 -0.035 0.000 1.142 3271 N HN 0.130 nan 8.380 nan 0.000 0.573 3272 V N 0.636 120.510 119.914 -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 -0.713 61.567 62.300 -0.034 0.000 0.889 3272 V CB 1.794 33.615 31.823 -0.003 0.000 0.988 3272 V HN 0.016 nan 8.190 nan 0.000 0.440 3273 D N 3.245 123.631 120.400 -0.024 0.000 2.382 3273 D HA 0.141 4.781 4.640 0.000 0.000 0.259 3273 D C -0.548 175.768 176.300 0.027 0.000 1.224 3273 D CA 0.411 54.397 54.000 -0.023 0.000 0.894 3273 D CB 0.415 41.225 40.800 0.017 0.000 1.127 3273 D HN 0.350 nan 8.370 nan 0.000 0.487 3274 F N 3.667 123.527 119.950 -0.151 0.000 2.391 3274 F HA 0.305 4.832 4.527 0.000 0.000 0.359 3274 F C -0.623 175.120 175.800 -0.096 0.000 1.122 3274 F CA -0.743 57.181 58.000 -0.126 0.000 1.120 3274 F CB 0.724 39.620 39.000 -0.174 0.000 1.142 3274 F HN -0.004 nan 8.300 nan 0.000 0.483 3275 V N 7.063 126.720 119.914 -0.428 0.000 2.384 3275 V HA 0.364 4.484 4.120 0.000 0.000 0.287 3275 V C -0.580 175.271 176.094 -0.405 0.000 1.020 3275 V CA -0.875 61.244 62.300 -0.301 0.000 0.850 3275 V CB 1.456 33.172 31.823 -0.178 0.000 0.987 3275 V HN 0.483 nan 8.190 nan 0.000 0.436 3276 V N 5.302 125.077 119.914 -0.232 0.000 2.311 3276 V HA 0.308 4.428 4.120 0.000 0.000 0.275 3276 V C 0.194 176.169 176.094 -0.197 0.000 1.022 3276 V CA -0.700 61.475 62.300 -0.208 0.000 0.830 3276 V CB 1.104 32.875 31.823 -0.086 0.000 1.012 3276 V HN 0.805 nan 8.190 nan 0.000 0.452 3277 Q N 2.868 122.561 119.800 -0.178 0.000 2.364 3277 Q HA 0.210 4.550 4.340 0.000 0.000 0.267 3277 Q C -0.681 175.180 176.000 -0.232 0.000 0.999 3277 Q CA 0.118 55.839 55.803 -0.136 0.000 0.886 3277 Q CB 0.870 29.555 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 -0.234 57.635 58.100 -0.385 0.000 1.299 3278 Y CB 0.780 38.934 38.460 -0.509 0.000 1.197 3278 Y HN 0.673 nan 8.280 nan 0.000 0.517 3279 A N 3.828 126.600 122.820 -0.079 0.000 2.863 3279 A HA 0.227 4.547 4.320 0.000 0.000 0.246 3279 A C 1.131 178.620 177.584 -0.159 0.000 1.772 3279 A CA 0.547 52.520 52.037 -0.107 0.000 1.456 3279 A CB -2.170 16.719 19.000 -0.186 0.000 0.930 3279 A HN 1.123 nan 8.150 nan 0.000 0.630 3280 N N -1.015 117.671 118.700 -0.024 0.000 3.699 3280 N HA -0.059 4.681 4.740 0.000 0.000 0.355 3280 N C 0.851 176.270 175.510 -0.150 0.000 1.094 3280 N CA 1.117 54.135 53.050 -0.054 0.000 2.627 3280 N CB -0.569 37.859 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 -0.059 0.000 3.898 3281 L HA -0.210 4.130 4.340 0.000 0.000 0.382 3281 L C 0.876 177.945 176.870 0.331 0.000 0.711 3281 L CA 2.136 57.025 54.840 0.082 0.000 2.828 3281 L CB -2.115 39.931 42.059 -0.023 0.000 0.852 3281 L HN 0.915 nan 8.230 nan 0.000 0.694 3282 Y N 0.098 120.403 120.300 0.009 0.000 2.326 3282 Y HA 0.358 4.908 4.550 0.000 0.000 0.333 3282 Y C 1.019 176.896 175.900 -0.039 0.000 1.240 3282 Y CA -0.803 57.150 58.100 -0.245 0.000 1.365 3282 Y CB 0.419 38.233 38.460 -1.075 0.000 1.289 3282 Y HN -0.029 nan 8.280 nan 0.000 0.548 3283 R N 2.493 123.064 120.500 0.118 0.000 2.278 3283 R HA 0.212 4.552 4.340 0.000 0.000 0.322 3283 R C -1.803 174.554 176.300 0.094 0.000 1.058 3283 R CA -0.495 55.678 56.100 0.121 0.000 0.991 3283 R CB 0.114 30.423 30.300 0.015 0.000 1.140 3283 R HN 0.481 nan 8.270 nan 0.000 0.518 3284 Y N 3.260 123.678 120.300 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 -0.229 58.004 58.100 0.221 0.000 1.306 3284 Y CB 0.471 39.076 38.460 0.241 0.000 1.149 3284 Y HN 0.482 nan 8.280 nan 0.000 0.527 3285 L N 1.906 123.254 121.223 0.208 0.000 2.162 3285 L HA 0.014 4.354 4.340 0.000 0.000 0.205 3285 L C 0.796 177.785 176.870 0.199 0.000 1.086 3285 L CA 0.678 55.580 54.840 0.102 0.000 0.778 3285 L CB -0.131 41.898 42.059 -0.051 0.000 0.928 3285 L HN 0.625 nan 8.230 nan 0.000 0.446 3286 S N -2.046 113.837 115.700 0.304 0.000 2.570 3286 S HA 0.595 5.065 4.470 0.000 0.000 0.270 3286 S C -0.628 174.187 174.600 0.357 0.000 1.149 3286 S CA -0.700 57.656 58.200 0.259 0.000 0.837 3286 S CB 2.340 65.737 63.200 0.328 0.000 1.124 3286 S HN -0.074 nan 8.310 nan 0.000 0.465 3287 T N 1.996 116.676 114.554 0.210 0.000 2.921 3287 T HA 0.596 4.946 4.350 0.000 0.000 0.297 3287 T C -0.926 173.767 174.700 -0.011 0.000 1.013 3287 T CA -0.419 61.755 62.100 0.125 0.000 0.990 3287 T CB 0.867 69.837 68.868 0.171 0.000 1.023 3287 T HN 0.660 nan 8.240 nan 0.000 0.447 3288 I N 2.334 122.839 120.570 -0.108 0.000 2.465 3288 I HA 0.701 4.871 4.170 0.000 0.000 0.291 3288 I C -0.276 175.711 176.117 -0.217 0.000 1.014 3288 I CA -1.007 60.266 61.300 -0.045 0.000 1.093 3288 I CB 1.718 39.789 38.000 0.119 0.000 1.267 3288 I HN 0.717 nan 8.210 nan 0.000 0.431 3289 A N 6.500 129.233 122.820 -0.144 0.000 2.335 3289 A HA 0.735 5.055 4.320 0.000 0.000 0.304 3289 A C -1.003 176.657 177.584 0.127 0.000 1.118 3289 A CA -0.470 51.497 52.037 -0.116 0.000 0.757 3289 A CB 1.286 20.137 19.000 -0.249 0.000 1.188 3289 A HN 0.406 nan 8.150 nan 0.000 0.460 3290 V N 3.447 123.450 119.914 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 0.291 0.000 1.021 3290 V CA -0.399 62.030 62.300 0.215 0.000 0.847 3290 V CB 1.128 33.034 31.823 0.138 0.000 0.990 3290 V HN 0.779 nan 8.190 nan 0.000 0.444 3291 F N 5.331 125.362 119.950 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 -1.757 56.243 58.000 -0.001 0.000 1.194 3291 F CB 0.132 39.164 39.000 0.054 0.000 1.488 3291 F HN 0.605 nan 8.300 nan 0.000 0.619 3292 D N 4.163 124.533 120.400 -0.050 0.000 2.435 3292 D HA -0.025 4.615 4.640 0.000 0.000 0.230 3292 D C -0.098 175.880 176.300 -0.537 0.000 1.215 3292 D CA 0.057 53.699 54.000 -0.597 0.000 0.947 3292 D CB -0.309 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 2.831 120.977 118.700 -0.923 0.000 3.050 3293 N HA 0.205 4.945 4.740 0.000 0.000 0.289 3293 N C 0.790 176.013 175.510 -0.478 0.000 1.209 3293 N CA 0.456 53.023 53.050 -0.805 0.000 1.154 3293 N CB -0.442 37.356 38.487 -1.148 0.000 1.444 3293 N HN 0.613 nan 8.380 nan 0.000 0.529 3294 G N 0.919 109.532 108.800 -0.312 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 0.956 175.733 174.900 -0.204 0.000 1.047 3294 G CA 0.523 45.502 45.100 -0.202 0.000 0.869 3294 G HN 1.120 nan 8.290 nan 0.000 0.502 3295 G N -2.402 106.231 108.800 -0.277 0.000 2.195 3295 G HA2 -0.044 3.916 3.960 0.000 0.000 0.246 3295 G HA3 -0.044 3.916 3.960 0.000 0.000 0.246 3295 G C 0.432 175.216 174.900 -0.192 0.000 0.984 3295 G CA 0.655 45.665 45.100 -0.151 0.000 0.633 3295 G HN 1.728 nan 8.290 nan 0.000 0.525 3296 S N 0.143 115.598 115.700 -0.407 0.000 2.489 3296 S HA 0.765 5.235 4.470 0.000 0.000 0.291 3296 S C -0.815 173.402 174.600 -0.638 0.000 1.151 3296 S CA -0.323 57.681 58.200 -0.326 0.000 1.082 3296 S CB 0.872 63.910 63.200 -0.270 0.000 1.019 3296 S HN 0.304 nan 8.310 nan 0.000 0.492 3297 F N 2.973 122.814 119.950 -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 57.043 58.000 -0.164 0.000 0.983 3297 F CB 1.137 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 1.460 120.151 118.700 -0.015 0.000 2.417 3298 N HA 0.491 5.231 4.740 0.000 0.000 0.300 3298 N C -0.427 175.144 175.510 0.102 0.000 1.102 3298 N CA -0.676 52.386 53.050 0.020 0.000 0.886 3298 N CB 2.217 40.677 38.487 -0.045 0.000 1.203 3298 N HN 0.568 nan 8.380 nan 0.000 0.496 3299 A N 0.663 123.542 122.820 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 0.327 52.444 52.037 0.132 0.000 1.408 3299 A CB -1.424 17.634 19.000 0.096 0.000 1.108 3299 A HN 0.911 nan 8.150 nan 0.000 0.621 3300 G N 1.095 110.062 108.800 0.279 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 1.358 176.337 174.900 0.133 0.000 0.995 3300 G CA 1.571 46.825 45.100 0.256 0.000 0.622 3300 G HN 1.578 nan 8.290 nan 0.000 0.538 3301 T N -0.693 113.921 114.554 0.100 0.000 3.025 3301 T HA 0.042 4.392 4.350 0.000 0.000 0.270 3301 T C 1.484 176.208 174.700 0.040 0.000 1.126 3301 T CA 1.871 64.005 62.100 0.057 0.000 1.105 3301 T CB -0.232 68.659 68.868 0.039 0.000 0.884 3301 T HN 0.622 nan 8.240 nan 0.000 0.522 3302 D N 0.311 120.744 120.400 0.056 0.000 2.368 3302 D HA 0.250 4.890 4.640 0.000 0.000 0.218 3302 D C 0.171 176.544 176.300 0.123 0.000 1.112 3302 D CA -0.498 53.540 54.000 0.065 0.000 0.834 3302 D CB -0.284 40.513 40.800 -0.004 0.000 0.953 3302 D HN 0.482 nan 8.370 nan 0.000 0.505 3303 I N 0.470 121.070 120.570 0.050 0.000 2.545 3303 I HA 0.223 4.393 4.170 0.000 0.000 0.292 3303 I C 0.600 176.659 176.117 -0.096 0.000 1.040 3303 I CA -0.863 60.397 61.300 -0.067 0.000 1.068 3303 I CB 2.146 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 3.826 122.417 118.700 -0.182 0.000 2.220 3304 N HA 0.012 4.752 4.740 0.000 0.000 0.182 3304 N C -0.576 174.923 175.510 -0.018 0.000 1.023 3304 N CA 1.347 54.328 53.050 -0.114 0.000 0.856 3304 N CB 0.282 38.653 38.487 -0.193 0.000 0.997 3304 N HN 0.627 nan 8.380 nan 0.000 0.429 3305 Y N -1.864 118.359 120.300 -0.129 0.000 2.713 3305 Y HA 0.641 5.191 4.550 0.000 0.000 0.335 3305 Y C -1.773 173.956 175.900 -0.285 0.000 1.222 3305 Y CA -1.463 56.545 58.100 -0.153 0.000 1.061 3305 Y CB 0.483 38.892 38.460 -0.085 0.000 1.314 3305 Y HN -0.282 nan 8.280 nan 0.000 0.453 3306 L N 1.600 122.774 121.223 -0.081 0.000 2.333 3306 L HA 0.927 5.267 4.340 0.000 0.000 0.263 3306 L C -0.143 176.610 176.870 -0.195 0.000 1.014 3306 L CA -0.547 54.006 54.840 -0.478 0.000 0.820 3306 L CB 2.218 43.498 42.059 -1.299 0.000 1.352 3306 L HN 0.896 nan 8.230 nan 0.000 0.421 3307 S N -0.161 115.324 115.700 -0.359 0.000 2.636 3307 S HA 0.546 5.016 4.470 0.000 0.000 0.266 3307 S C -2.094 172.390 174.600 -0.194 0.000 1.147 3307 S CA -0.635 57.532 58.200 -0.055 0.000 0.815 3307 S CB 1.532 64.724 63.200 -0.013 0.000 1.119 3307 S HN 0.576 nan 8.310 nan 0.000 0.470 3308 Q N 1.249 121.047 119.800 -0.004 0.000 2.330 3308 Q HA 0.542 4.882 4.340 0.000 0.000 0.269 3308 Q C -0.946 175.053 176.000 -0.003 0.000 1.022 3308 Q CA -0.583 55.242 55.803 0.038 0.000 0.796 3308 Q CB 2.251 31.060 28.738 0.120 0.000 1.271 3308 Q HN 0.551 nan 8.270 nan 0.000 0.450 3309 R N 1.109 121.612 120.500 0.004 0.000 2.686 3309 R HA 0.556 4.896 4.340 0.000 0.000 0.283 3309 R C -0.846 175.439 176.300 -0.024 0.000 0.978 3309 R CA -0.226 55.859 56.100 -0.025 0.000 0.897 3309 R CB 1.700 31.986 30.300 -0.024 0.000 1.192 3309 R HN 0.743 nan 8.270 nan 0.000 0.457 3310 T N 0.051 114.570 114.554 -0.058 0.000 2.948 3310 T HA 0.581 4.931 4.350 0.000 0.000 0.285 3310 T C 0.220 174.905 174.700 -0.024 0.000 1.019 3310 T CA -0.752 61.315 62.100 -0.055 0.000 1.013 3310 T CB 1.569 70.364 68.868 -0.121 0.000 1.117 3310 T HN 0.646 nan 8.240 nan 0.000 0.533 3311 A N 0.911 123.730 122.820 -0.003 0.000 2.535 3311 A HA 0.510 4.830 4.320 0.000 0.000 0.290 3311 A C 1.315 178.895 177.584 -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 1.976 nan 8.150 nan 0.000 0.534 3312 N N 0.008 118.699 118.700 -0.015 0.000 2.542 3312 N HA 0.378 5.118 4.740 0.000 0.000 0.218 3312 N C 1.126 176.622 175.510 -0.023 0.000 1.607 3312 N CA 0.808 53.848 53.050 -0.017 0.000 3.190 3312 N CB -1.913 36.563 38.487 -0.018 0.000 1.504 3312 N HN 2.273 nan 8.380 nan 0.000 1.106 3313 F N -0.290 119.645 119.950 -0.024 0.000 3.048 3313 F HA -0.096 4.431 4.527 0.000 0.000 0.287 3313 F C 1.018 176.796 175.800 -0.037 0.000 0.796 3313 F CA 1.776 59.759 58.000 -0.027 0.000 1.111 3313 F CB -2.196 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 1.421 117.097 115.700 -0.041 0.000 2.439 3314 S HA 0.457 4.927 4.470 0.000 0.000 0.282 3314 S C -0.303 174.260 174.600 -0.061 0.000 1.170 3314 S CA -0.002 58.168 58.200 -0.050 0.000 1.054 3314 S CB 0.302 63.473 63.200 -0.049 0.000 0.956 3314 S HN 0.486 nan 8.310 nan 0.000 0.490 3315 D N 3.413 123.774 120.400 -0.065 0.000 2.264 3315 D HA 0.147 4.787 4.640 0.000 0.000 0.250 3315 D C 1.128 177.390 176.300 -0.063 0.000 1.113 3315 D CA -0.006 53.955 54.000 -0.066 0.000 0.871 3315 D CB 1.752 42.502 40.800 -0.083 0.000 1.167 3315 D HN 0.713 nan 8.370 nan 0.000 0.447 3316 T N -0.448 114.070 114.554 -0.060 0.000 3.065 3316 T HA 0.004 4.354 4.350 0.000 0.000 0.252 3316 T C 0.977 175.650 174.700 -0.044 0.000 1.099 3316 T CA -0.122 61.941 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 0.278 120.766 120.500 -0.019 0.000 2.714 3317 R HA 0.310 4.650 4.340 0.000 0.000 0.214 3317 R C -0.869 175.480 176.300 0.082 0.000 1.474 3317 R CA -0.648 55.455 56.100 0.004 0.000 1.435 3317 R CB -0.313 29.962 30.300 -0.041 0.000 1.517 3317 R HN 0.085 nan 8.270 nan 0.000 0.748 3318 K N 2.990 123.396 120.400 0.010 0.000 2.292 3318 K HA 0.280 4.600 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 0.433 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 3.377 124.703 121.223 0.170 0.000 2.370 3319 L HA 0.355 4.695 4.340 0.000 0.000 0.266 3319 L C -0.291 176.712 176.870 0.223 0.000 1.002 3319 L CA -1.384 53.578 54.840 0.204 0.000 0.818 3319 L CB 1.925 44.167 42.059 0.305 0.000 1.325 3319 L HN 0.715 nan 8.230 nan 0.000 0.418 3320 D N 0.697 121.200 120.400 0.171 0.000 2.368 3320 D HA 0.128 4.768 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 -1.146 52.947 54.000 0.155 0.000 0.906 3320 D CB 0.627 41.497 40.800 0.118 0.000 1.187 3320 D HN 0.207 nan 8.370 nan 0.000 0.435 3321 P HA -0.198 nan 4.420 nan 0.000 0.216 3321 P C 1.006 178.469 177.300 0.271 0.000 1.153 3321 P CA 1.504 64.699 63.100 0.159 0.000 0.858 3321 P CB 0.111 31.868 31.700 0.095 0.000 0.789 3322 K N -1.213 119.309 120.400 0.204 0.000 2.097 3322 K HA -0.048 4.272 4.320 0.000 0.000 0.205 3322 K C 1.915 178.634 176.600 0.199 0.000 1.050 3322 K CA 1.540 57.943 56.287 0.193 0.000 0.938 3322 K CB -0.625 31.955 32.500 0.134 0.000 0.718 3322 K HN 0.165 nan 8.250 nan 0.000 0.442 3323 T N 0.472 115.142 114.554 0.192 0.000 2.904 3323 T HA -0.143 4.207 4.350 0.000 0.000 0.267 3323 T C 1.183 176.006 174.700 0.205 0.000 1.059 3323 T CA 0.599 62.795 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 2.279 123.645 121.300 0.109 0.000 2.355 3324 W HA -0.091 4.569 4.660 0.000 0.000 0.309 3324 W C 2.468 179.104 176.519 0.196 0.000 1.206 3324 W CA 1.300 58.731 57.345 0.143 0.000 1.284 3324 W CB -0.640 28.908 29.460 0.148 0.000 1.145 3324 W HN 0.293 nan 8.180 nan 0.000 0.502 3325 A N 0.939 124.054 122.820 0.490 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 2.684 54.946 52.037 0.376 0.000 0.628 3325 A CB -1.253 17.941 19.000 0.323 0.000 0.814 3325 A HN 0.305 nan 8.150 nan 0.000 0.444 3326 A N -0.823 122.087 122.820 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 1.742 53.830 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 -0.533 119.272 119.800 0.009 0.000 2.124 3327 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 3327 Q C 2.113 178.129 176.000 0.026 0.000 0.977 3327 Q CA 1.985 57.763 55.803 -0.041 0.000 0.850 3327 Q CB -1.221 27.404 28.738 -0.188 0.000 0.901 3327 Q HN 0.647 nan 8.270 nan 0.000 0.429 3328 T N 1.043 115.652 114.554 0.092 0.000 2.821 3328 T HA -0.052 4.298 4.350 0.000 0.000 0.267 3328 T C 1.808 176.572 174.700 0.105 0.000 1.046 3328 T CA 0.713 62.940 62.100 0.212 0.000 1.139 3328 T CB -0.035 69.058 68.868 0.376 0.000 0.871 3328 T HN 0.258 nan 8.240 nan 0.000 0.454 3329 R N 0.702 121.244 120.500 0.070 0.000 2.152 3329 R HA 0.038 4.378 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 0.746 56.858 56.100 0.019 0.000 0.981 3329 R CB -0.048 30.268 30.300 0.027 0.000 0.870 3329 R HN 0.210 nan 8.270 nan 0.000 0.451 3330 R N 0.133 120.648 120.500 0.026 0.000 2.189 3330 R HA 0.022 4.362 4.340 0.000 0.000 0.218 3330 R C 1.888 178.204 176.300 0.026 0.000 1.074 3330 R CA 0.710 56.822 56.100 0.019 0.000 0.991 3330 R CB 0.027 30.339 30.300 0.020 0.000 0.883 3330 R HN 0.163 nan 8.270 nan 0.000 0.457 3331 R N 0.510 121.040 120.500 0.050 0.000 2.105 3331 R HA 0.139 4.479 4.340 0.000 0.000 0.214 3331 R C 2.053 178.346 176.300 -0.012 0.000 1.091 3331 R CA 0.840 56.980 56.100 0.066 0.000 1.007 3331 R CB -0.038 30.380 30.300 0.197 0.000 0.912 3331 R HN 0.311 nan 8.270 nan 0.000 0.450 3332 I N -3.765 116.756 120.570 -0.081 0.000 4.050 3332 I HA 0.472 4.642 4.170 0.000 0.000 0.327 3332 I C 0.487 176.514 176.117 -0.150 0.000 1.473 3332 I CA 0.107 61.303 61.300 -0.172 0.000 1.124 3332 I CB 0.835 38.600 38.000 -0.392 0.000 1.129 3332 I HN -0.025 nan 8.210 nan 0.000 0.428 3333 A N 0.248 123.013 122.820 -0.092 0.000 2.861 3333 A HA -0.222 4.098 4.320 0.000 0.000 0.261 3333 A C 0.652 178.189 177.584 -0.079 0.000 1.351 3333 A CA 1.705 53.700 52.037 -0.070 0.000 0.904 3333 A CB -2.289 16.673 19.000 -0.064 0.000 1.076 3333 A HN 0.803 nan 8.150 nan 0.000 0.729 3334 T N -1.890 112.598 114.554 -0.110 0.000 2.654 3334 T HA 0.498 4.848 4.350 0.000 0.000 0.303 3334 T C -2.135 172.486 174.700 -0.132 0.000 1.656 3334 T CA 0.138 62.176 62.100 -0.102 0.000 0.971 3334 T CB 0.940 69.740 68.868 -0.114 0.000 1.811 3334 T HN 0.286 nan 8.240 nan 0.000 0.483 3335 D N 0.554 120.896 120.400 -0.096 0.000 2.217 3335 D HA 0.516 5.156 4.640 0.000 0.000 0.248 3335 D C -0.292 175.921 176.300 -0.145 0.000 1.008 3335 D CA -0.133 53.830 54.000 -0.061 0.000 0.914 3335 D CB 0.830 41.648 40.800 0.030 0.000 1.182 3335 D HN 0.339 nan 8.370 nan 0.000 0.451 3336 F N 0.579 120.471 119.950 -0.096 0.000 2.435 3336 F HA 0.217 4.744 4.527 0.000 0.000 0.316 3336 F C -1.337 174.368 175.800 -0.158 0.000 1.220 3336 F CA -1.252 56.615 58.000 -0.222 0.000 1.241 3336 F CB 0.056 38.818 39.000 -0.396 0.000 1.234 3336 F HN 0.061 nan 8.300 nan 0.000 0.569 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 -0.256 62.914 63.100 0.118 0.000 0.788 3337 P CB 0.334 32.203 31.700 0.282 0.000 0.926 3338 K N 1.172 121.613 120.400 0.070 0.000 2.530 3338 K HA 0.107 4.427 4.320 0.000 0.000 0.280 3338 K C 1.298 177.959 176.600 0.101 0.000 1.004 3338 K CA 1.286 57.614 56.287 0.069 0.000 1.071 3338 K CB -0.763 31.796 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 0.031 174.846 174.900 -0.141 0.000 0.977 3339 G CA 0.076 45.225 45.100 0.082 0.000 0.641 3339 G HN 0.430 nan 8.290 nan 0.000 0.533 3340 V N 1.040 120.724 119.914 -0.385 0.000 2.370 3340 V HA 0.646 4.766 4.120 0.000 0.000 0.279 3340 V C -0.270 175.440 176.094 -0.639 0.000 1.029 3340 V CA -0.771 61.301 62.300 -0.379 0.000 0.870 3340 V CB 0.816 32.414 31.823 -0.375 0.000 0.984 3340 V HN 0.254 nan 8.190 nan 0.000 0.451 3341 Y N 4.184 124.522 120.300 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 0.288 0.000 0.988 3341 Y CA -0.777 57.459 58.100 0.228 0.000 1.078 3341 Y CB 1.831 40.347 38.460 0.094 0.000 1.203 3341 Y HN 0.633 nan 8.280 nan 0.000 0.453 3342 Y N 2.243 122.841 120.300 0.496 0.000 2.468 3342 Y HA 0.676 5.226 4.550 0.000 0.000 0.342 3342 Y C -1.197 175.020 175.900 0.530 0.000 1.021 3342 Y CA -1.835 56.459 58.100 0.323 0.000 1.079 3342 Y CB 1.735 40.298 38.460 0.171 0.000 1.226 3342 Y HN 0.800 nan 8.280 nan 0.000 0.460 3343 C N 6.588 125.660 119.300 -0.379 0.000 2.505 3343 C HA 0.362 4.822 4.460 0.000 0.000 0.342 3343 C C -1.318 173.300 174.990 -0.620 0.000 1.121 3343 C CA -0.715 58.136 59.018 -0.277 0.000 1.306 3343 C CB -0.055 27.906 27.740 0.369 0.000 1.897 3343 C HN 0.888 nan 8.230 nan 0.000 0.446 3344 D N 3.906 124.005 120.400 -0.503 0.000 2.280 3344 D HA 0.301 4.941 4.640 0.000 0.000 0.243 3344 D C 0.103 176.373 176.300 -0.050 0.000 1.129 3344 D CA 0.318 54.191 54.000 -0.211 0.000 0.848 3344 D CB 0.764 41.569 40.800 0.008 0.000 1.107 3344 D HN 0.712 nan 8.370 nan 0.000 0.471 3345 N N 3.418 122.132 118.700 0.025 0.000 2.377 3345 N HA 0.094 4.834 4.740 0.000 0.000 0.259 3345 N C 1.104 176.652 175.510 0.063 0.000 1.332 3345 N CA -0.163 52.917 53.050 0.050 0.000 0.877 3345 N CB 0.701 39.233 38.487 0.074 0.000 1.299 3345 N HN 0.357 nan 8.380 nan 0.000 0.501 3346 R N 0.536 121.079 120.500 0.072 0.000 2.083 3346 R HA -0.067 4.273 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 1.288 57.424 56.100 0.059 0.000 0.951 3346 R CB 0.061 30.437 30.300 0.127 0.000 0.851 3346 R HN 0.069 nan 8.270 nan 0.000 0.434 3347 D N 0.231 120.658 120.400 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 0.243 41.066 40.800 0.039 0.000 0.947 3347 D HN 0.104 nan 8.370 nan 0.000 0.494 3348 K N 0.643 121.075 120.400 0.054 0.000 2.827 3348 K HA 0.279 4.599 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 -1.449 54.887 56.287 0.083 0.000 0.993 3348 K CB 2.389 34.944 32.500 0.091 0.000 1.199 3348 K HN -0.109 nan 8.250 nan 0.000 0.598 3349 P HA -0.058 nan 4.420 nan 0.000 0.265 3349 P C -0.073 177.356 177.300 0.215 0.000 1.187 3349 P CA -0.119 63.055 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 3.733 124.424 120.570 0.201 0.000 2.598 3350 I HA -0.020 4.150 4.170 0.000 0.000 0.284 3350 I C -0.002 176.343 176.117 0.379 0.000 1.140 3350 I CA 0.368 61.785 61.300 0.194 0.000 1.420 3350 I CB -1.077 36.729 38.000 -0.324 0.000 1.387 3350 I HN 0.417 nan 8.210 nan 0.000 0.553 3351 Y N 6.533 126.941 120.300 0.180 0.000 2.359 3351 Y HA 0.217 4.767 4.550 0.000 0.000 0.336 3351 Y C 0.319 176.152 175.900 -0.112 0.000 1.098 3351 Y CA -1.332 56.783 58.100 0.025 0.000 1.272 3351 Y CB 0.876 39.293 38.460 -0.071 0.000 1.112 3351 Y HN 0.709 nan 8.280 nan 0.000 0.481 3352 T N 2.349 116.812 114.554 -0.151 0.000 2.903 3352 T HA 0.376 4.726 4.350 0.000 0.000 0.314 3352 T C 0.850 175.219 174.700 -0.551 0.000 1.078 3352 T CA 0.601 62.580 62.100 -0.202 0.000 1.114 3352 T CB 0.828 69.653 68.868 -0.073 0.000 0.987 3352 T HN 0.945 nan 8.240 nan 0.000 0.548 3353 L N -1.105 119.882 121.223 -0.393 0.000 3.294 3353 L HA -0.181 4.159 4.340 0.000 0.000 0.437 3353 L C 1.617 178.253 176.870 -0.390 0.000 0.749 3353 L CA 1.225 55.831 54.840 -0.391 0.000 2.510 3353 L CB -1.495 40.256 42.059 -0.512 0.000 1.159 3353 L HN 0.834 nan 8.230 nan 0.000 0.602 3354 Q N 0.370 119.859 119.800 -0.519 0.000 2.391 3354 Q HA 0.069 4.409 4.340 0.000 0.000 0.243 3354 Q C -0.188 175.567 176.000 -0.408 0.000 0.874 3354 Q CA 0.856 56.360 55.803 -0.498 0.000 0.950 3354 Q CB 0.902 29.227 28.738 -0.689 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 0.547 5.097 4.550 0.000 0.000 0.241 3355 Y C -0.048 175.829 175.900 -0.040 0.000 0.904 3355 Y CA -0.932 57.150 58.100 -0.031 0.000 1.146 3355 Y CB -0.425 38.029 38.460 -0.011 0.000 1.178 3355 Y HN 0.157 nan 8.280 nan 0.000 0.584 3356 G N 1.764 110.638 108.800 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 44.889 45.100 0.073 0.000 0.911 3356 G HN 0.651 nan 8.290 nan 0.000 0.553 3357 N N -0.860 117.869 118.700 0.047 0.000 2.454 3357 N HA 0.328 5.068 4.740 0.000 0.000 0.254 3357 N C 0.243 175.798 175.510 0.075 0.000 1.228 3357 N CA 0.265 53.345 53.050 0.050 0.000 0.900 3357 N CB 1.396 39.894 38.487 0.018 0.000 1.089 3357 N HN 0.585 nan 8.380 nan 0.000 0.449 3358 V N -0.240 119.744 119.914 0.117 0.000 2.864 3358 V HA 0.826 4.946 4.120 0.000 0.000 0.314 3358 V C 0.600 176.857 176.094 0.271 0.000 1.073 3358 V CA -0.870 61.510 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 0.813 109.758 108.800 0.241 0.000 2.612 3359 G HA2 0.651 4.611 3.960 0.000 0.000 0.298 3359 G HA3 0.651 4.611 3.960 0.000 0.000 0.298 3359 G C -1.954 173.098 174.900 0.254 0.000 1.336 3359 G CA -0.587 44.630 45.100 0.194 0.000 0.953 3359 G HN 0.479 nan 8.290 nan 0.000 0.482 3360 F N 1.927 121.876 119.950 -0.001 0.000 2.408 3360 F HA 0.655 5.182 4.527 0.000 0.000 0.344 3360 F C -0.241 175.543 175.800 -0.026 0.000 1.112 3360 F CA -0.473 57.558 58.000 0.052 0.000 1.096 3360 F CB 1.677 40.654 39.000 -0.037 0.000 1.129 3360 F HN 0.281 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 -0.870 175.000 176.094 -0.373 0.000 1.038 3361 V CA -0.867 61.266 62.300 -0.278 0.000 0.887 3361 V CB 1.675 33.416 31.823 -0.136 0.000 0.991 3361 V HN 0.574 nan 8.190 nan 0.000 0.434 3362 V N 3.747 123.545 119.914 -0.193 0.000 2.525 3362 V HA 0.468 4.588 4.120 0.000 0.000 0.299 3362 V C -0.412 175.481 176.094 -0.335 0.000 1.034 3362 V CA -0.654 61.461 62.300 -0.309 0.000 0.863 3362 V CB 2.019 33.664 31.823 -0.297 0.000 0.999 3362 V HN 0.886 nan 8.190 nan 0.000 0.423 3363 N N 6.714 125.076 118.700 -0.563 0.000 2.558 3363 N HA 0.378 5.118 4.740 0.000 0.000 0.242 3363 N C -2.780 172.441 175.510 -0.483 0.000 0.979 3363 N CA -1.643 51.046 53.050 -0.601 0.000 0.931 3363 N CB 2.547 40.334 38.487 -1.166 0.000 1.122 3363 N HN 0.343 nan 8.380 nan 0.000 0.508 3364 P HA 0.149 nan 4.420 nan 0.000 0.279 3364 P C 0.160 177.389 177.300 -0.119 0.000 1.239 3364 P CA -0.181 62.790 63.100 -0.215 0.000 0.789 3364 P CB 2.000 33.569 31.700 -0.217 0.000 0.933 3365 K N 1.641 122.011 120.400 -0.051 0.000 2.211 3365 K HA 0.085 4.405 4.320 0.000 0.000 0.201 3365 K C -0.115 176.480 176.600 -0.009 0.000 1.052 3365 K CA 0.895 57.162 56.287 -0.034 0.000 0.973 3365 K CB 0.333 32.821 32.500 -0.019 0.000 0.766 3365 K HN 0.427 nan 8.250 nan 0.000 0.466 3366 T N 0.584 115.153 114.554 0.024 0.000 2.916 3366 T HA 0.409 4.759 4.350 0.000 0.000 0.298 3366 T C -1.539 173.189 174.700 0.046 0.000 1.031 3366 T CA -0.705 61.400 62.100 0.009 0.000 0.993 3366 T CB 2.343 71.199 68.868 -0.021 0.000 1.045 3366 T HN -0.191 nan 8.240 nan 0.000 0.454 3367 V N 4.126 124.047 119.914 0.012 0.000 2.419 3367 V HA 0.412 4.532 4.120 0.000 0.000 0.287 3367 V C -0.353 175.720 176.094 -0.035 0.000 1.017 3367 V CA -1.112 61.203 62.300 0.024 0.000 0.844 3367 V CB 1.507 33.336 31.823 0.011 0.000 1.011 3367 V HN 0.774 nan 8.190 nan 0.000 0.429 3368 N N 2.342 120.994 118.700 -0.080 0.000 2.379 3368 N HA 0.232 4.972 4.740 0.000 0.000 0.260 3368 N C 0.025 175.492 175.510 -0.072 0.000 1.254 3368 N CA -0.492 52.504 53.050 -0.091 0.000 0.958 3368 N CB 0.748 39.152 38.487 -0.139 0.000 1.208 3368 N HN 0.779 nan 8.380 nan 0.000 0.532 3369 Q N 0.572 120.335 119.800 -0.063 0.000 2.337 3369 Q HA -0.013 4.327 4.340 0.000 0.000 0.270 3369 Q C -0.503 175.464 176.000 -0.054 0.000 1.002 3369 Q CA 0.118 55.892 55.803 -0.047 0.000 0.888 3369 Q CB 0.164 28.880 28.738 -0.037 0.000 1.222 3369 Q HN 0.436 nan 8.270 nan 0.000 0.400 3370 N N 0.341 119.017 118.700 -0.040 0.000 2.776 3370 N HA -0.185 4.555 4.740 0.000 0.000 0.249 3370 N C -1.245 174.235 175.510 -0.050 0.000 1.111 3370 N CA 0.955 53.983 53.050 -0.036 0.000 0.711 3370 N CB -1.659 36.809 38.487 -0.032 0.000 1.065 3370 N HN 0.638 nan 8.380 nan 0.000 0.556 3371 A N 0.810 123.600 122.820 -0.051 0.000 2.371 3371 A HA 0.668 4.988 4.320 0.000 0.000 0.257 3371 A C 0.873 178.445 177.584 -0.019 0.000 1.089 3371 A CA 0.187 52.207 52.037 -0.027 0.000 0.794 3371 A CB 0.625 19.649 19.000 0.039 0.000 1.029 3371 A HN 0.463 nan 8.150 nan 0.000 0.488 3372 R N 0.784 121.301 120.500 0.028 0.000 2.690 3372 R HA 0.606 4.946 4.340 0.000 0.000 0.269 3372 R C -2.131 174.197 176.300 0.047 0.000 1.037 3372 R CA -0.928 55.165 56.100 -0.012 0.000 0.877 3372 R CB 0.870 31.186 30.300 0.028 0.000 1.255 3372 R HN 0.455 nan 8.270 nan 0.000 0.467 3373 L N 2.615 123.846 121.223 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 0.115 0.000 1.023 3373 L CA -1.032 53.848 54.840 0.066 0.000 0.812 3373 L CB 1.660 43.756 42.059 0.062 0.000 1.223 3373 L HN 0.444 nan 8.230 nan 0.000 0.421 3374 L N 4.833 126.142 121.223 0.143 0.000 2.257 3374 L HA 0.421 4.761 4.340 0.000 0.000 0.290 3374 L C -0.200 176.741 176.870 0.118 0.000 1.044 3374 L CA -0.316 54.643 54.840 0.198 0.000 0.810 3374 L CB 1.109 43.363 42.059 0.326 0.000 1.193 3374 L HN 0.487 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 0.455 4.935 4.480 0.000 0.000 0.355 3375 M C 0.335 176.343 176.300 -0.487 0.000 1.171 3375 M CA -0.337 54.774 55.300 -0.316 0.000 1.069 3375 M CB 1.350 33.711 32.600 -0.398 0.000 1.622 3375 M HN 0.559 nan 8.290 nan 0.000 0.459 3376 G N 3.522 111.908 108.800 -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 -1.781 172.742 174.900 -0.628 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 0.232 120.585 120.300 0.089 0.000 2.485 3377 Y HA 0.579 5.129 4.550 0.000 0.000 0.345 3377 Y C 0.296 176.452 175.900 0.428 0.000 0.998 3377 Y CA -0.935 57.403 58.100 0.396 0.000 1.059 3377 Y CB 2.810 41.629 38.460 0.598 0.000 1.234 3377 Y HN 0.488 nan 8.280 nan 0.000 0.461 3378 E N 2.745 123.279 120.200 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 55.893 56.400 0.276 0.000 0.757 3378 E CB 1.262 31.150 29.700 0.314 0.000 1.147 3378 E HN 0.585 nan 8.360 nan 0.000 0.414 3379 Y N 1.739 122.043 120.300 0.006 0.000 2.670 3379 Y HA 0.570 5.120 4.550 0.000 0.000 0.334 3379 Y C -1.884 173.971 175.900 -0.074 0.000 1.185 3379 Y CA -1.466 56.540 58.100 -0.156 0.000 1.053 3379 Y CB 1.017 39.233 38.460 -0.406 0.000 1.298 3379 Y HN 0.285 nan 8.280 nan 0.000 0.459 3380 F N 0.812 120.863 119.950 0.168 0.000 2.480 3380 F HA 0.708 5.235 4.527 0.000 0.000 0.329 3380 F C 0.222 176.085 175.800 0.105 0.000 1.091 3380 F CA -0.911 57.134 58.000 0.076 0.000 0.972 3380 F CB 2.518 41.509 39.000 -0.016 0.000 1.150 3380 F HN 0.740 nan 8.300 nan 0.000 0.467 3381 T N 1.049 115.755 114.554 0.253 0.000 2.889 3381 T HA 0.292 4.642 4.350 0.000 0.000 0.315 3381 T C -1.039 173.711 174.700 0.083 0.000 1.291 3381 T CA -0.515 61.685 62.100 0.167 0.000 1.028 3381 T CB 1.556 70.506 68.868 0.137 0.000 1.235 3381 T HN 0.484 nan 8.240 nan 0.000 0.491 3382 S N 2.135 117.881 115.700 0.077 0.000 2.565 3382 S HA 0.383 4.853 4.470 0.000 0.000 0.276 3382 S C 0.368 174.986 174.600 0.029 0.000 1.326 3382 S CA -0.585 57.636 58.200 0.034 0.000 1.045 3382 S CB 0.614 63.836 63.200 0.036 0.000 0.918 3382 S HN 0.660 nan 8.310 nan 0.000 0.505 3383 R N 0.892 121.395 120.500 0.005 0.000 2.726 3383 R HA 0.418 4.758 4.340 0.000 0.000 0.272 3383 R C 1.466 177.779 176.300 0.021 0.000 1.097 3383 R CA 0.991 57.092 56.100 0.002 0.000 1.198 3383 R CB -0.373 29.928 30.300 0.002 0.000 1.114 3383 R HN 0.928 nan 8.270 nan 0.000 0.550 3384 T N -2.199 112.370 114.554 0.025 0.000 12.481 3384 T HA -0.342 4.008 4.350 0.000 0.000 0.418 3384 T C 0.470 175.191 174.700 0.035 0.000 1.450 3384 T CA 2.901 65.020 62.100 0.031 0.000 2.393 3384 T CB -1.918 66.966 68.868 0.027 0.000 2.837 3384 T HN 1.173 nan 8.240 nan 0.000 0.792 3385 E N 0.000 120.223 120.200 0.039 0.000 2.725 3385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 3385 E CA 0.000 nan 56.400 nan 0.000 0.976 3385 E CB 0.000 nan 29.700 nan 0.000 0.812 3385 E HN 0.000 nan 8.360 nan 0.000 0.440