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_L DATA FIRST_RESID 3014 DATA SEQUENCE ALRNQQAMAA NLQARQIVLQ QSYPVIQQVE TQTFDPANRS VFDVTPANVG DATA SEQUENCE IVKGFLVKVT AAITNNHATE AVALTDFGPA NLVQRVIYYD PDNQRHTETS DATA SEQUENCE GWHLHFVNTA KQGAPFLSSM VTDSPIKYGD VMNVIDAPAT IAAGATGELT DATA SEQUENCE MYYWVPLAYS ETDLTGAVLA NVPQSKQRLK LEFANNNTAF AAVGANPLEA DATA SEQUENCE IYQGAGAADC EFEEISYTVY QSYLDQLPVG QNGYILPLID LSTLYNLENS DATA SEQUENCE AQAGLTPNVD FVVQYANLYR YLSTIAVFDN GGSFNAGTDI NYLSQRTANF DATA SEQUENCE SDTRKLDPKT WAAQTRRRIA TDFPKGVYYC DNRDKPIYTL QYGNVGFVVN DATA SEQUENCE PKTVNQNARL LMGYEYFTSR 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 0.724 121.947 121.223 0.000 0.000 2.718 3015 L HA 0.607 4.947 4.340 0.000 0.000 0.242 3015 L C 2.170 179.039 176.870 -0.002 0.000 1.203 3015 L CA 1.796 56.635 54.840 -0.001 0.000 1.011 3015 L CB -2.768 39.291 42.059 -0.001 0.000 1.250 3015 L HN 1.250 nan 8.230 nan 0.000 0.437 3016 R N 0.644 121.143 120.500 -0.001 0.000 2.119 3016 R HA -0.114 4.226 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 1.598 57.697 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 -0.657 118.040 118.700 -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 1.198 54.242 53.050 -0.009 0.000 0.882 3017 N CB -0.252 38.230 38.487 -0.009 0.000 0.984 3017 N HN 0.595 nan 8.380 nan 0.000 0.434 3018 Q N -0.037 119.757 119.800 -0.009 0.000 2.124 3018 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 3018 Q C 1.739 177.733 176.000 -0.009 0.000 0.977 3018 Q CA 1.507 57.304 55.803 -0.009 0.000 0.850 3018 Q CB -0.011 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 -0.934 118.862 119.800 -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 28.776 28.738 -0.003 0.000 0.929 3019 Q HN 0.372 nan 8.270 nan 0.000 0.453 3020 A N 0.832 123.646 122.820 -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 1.090 53.120 52.037 -0.012 0.000 0.620 3020 A CB -0.297 18.696 19.000 -0.013 0.000 0.819 3020 A HN 0.209 nan 8.150 nan 0.000 0.442 3021 M N -0.307 119.280 119.600 -0.022 0.000 2.086 3021 M HA -0.125 4.355 4.480 0.000 0.000 0.261 3021 M C 2.530 178.816 176.300 -0.023 0.000 1.067 3021 M CA 1.681 56.964 55.300 -0.029 0.000 1.116 3021 M CB -1.463 31.119 32.600 -0.029 0.000 1.348 3021 M HN 0.490 nan 8.290 nan 0.000 0.407 3022 A N 0.082 122.892 122.820 -0.016 0.000 1.902 3022 A HA 0.007 4.327 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 2.068 54.098 52.037 -0.012 0.000 0.623 3022 A CB -0.888 18.107 19.000 -0.008 0.000 0.818 3022 A HN 0.483 nan 8.150 nan 0.000 0.443 3023 A N 0.292 123.107 122.820 -0.008 0.000 1.902 3023 A HA -0.220 4.100 4.320 0.000 0.000 0.217 3023 A C 1.964 179.544 177.584 -0.007 0.000 1.181 3023 A CA 2.136 54.170 52.037 -0.004 0.000 0.623 3023 A CB -0.796 18.202 19.000 -0.002 0.000 0.818 3023 A HN 0.651 nan 8.150 nan 0.000 0.443 3024 N N -0.289 118.403 118.700 -0.014 0.000 2.043 3024 N HA -0.170 4.570 4.740 0.000 0.000 0.193 3024 N C 1.601 177.099 175.510 -0.020 0.000 1.037 3024 N CA 1.764 54.802 53.050 -0.020 0.000 0.851 3024 N CB -0.367 38.099 38.487 -0.034 0.000 1.027 3024 N HN 0.284 nan 8.380 nan 0.000 0.422 3025 L N 1.247 122.457 121.223 -0.023 0.000 2.042 3025 L HA -0.175 4.165 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 1.858 56.687 54.840 -0.020 0.000 0.749 3025 L CB -1.204 40.844 42.059 -0.019 0.000 0.893 3025 L HN 0.432 nan 8.230 nan 0.000 0.432 3026 Q N -0.940 118.855 119.800 -0.007 0.000 2.084 3026 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 3026 Q C 2.121 178.122 176.000 0.001 0.000 0.978 3026 Q CA 1.854 57.656 55.803 -0.002 0.000 0.844 3026 Q CB -0.210 28.528 28.738 0.001 0.000 0.898 3026 Q HN 0.648 nan 8.270 nan 0.000 0.426 3027 A N 1.335 124.157 122.820 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 53.577 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 -0.319 120.178 120.500 -0.006 0.000 2.073 3028 R HA -0.198 4.142 4.340 0.000 0.000 0.234 3028 R C 2.347 178.643 176.300 -0.007 0.000 1.134 3028 R CA 1.954 58.049 56.100 -0.009 0.000 0.952 3028 R CB -0.392 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 0.083 119.880 119.800 -0.006 0.000 2.096 3029 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 3029 Q C 2.234 178.234 176.000 -0.001 0.000 0.982 3029 Q CA 1.800 57.600 55.803 -0.004 0.000 0.850 3029 Q CB -0.130 28.606 28.738 -0.003 0.000 0.901 3029 Q HN 0.456 nan 8.270 nan 0.000 0.422 3030 I N -0.181 120.391 120.570 0.003 0.000 2.252 3030 I HA -0.235 3.935 4.170 0.000 0.000 0.245 3030 I C 2.211 178.333 176.117 0.007 0.000 1.102 3030 I CA 0.689 61.994 61.300 0.009 0.000 1.385 3030 I CB -0.181 37.828 38.000 0.015 0.000 1.064 3030 I HN 0.041 nan 8.210 nan 0.000 0.414 3031 V N 1.194 121.109 119.914 0.002 0.000 2.287 3031 V HA -0.289 3.831 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 1.798 64.094 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 -0.590 120.626 121.223 -0.011 0.000 2.083 3032 L HA -0.230 4.110 4.340 0.000 0.000 0.209 3032 L C 2.660 179.522 176.870 -0.013 0.000 1.083 3032 L CA 1.637 56.465 54.840 -0.020 0.000 0.752 3032 L CB -0.575 41.471 42.059 -0.022 0.000 0.899 3032 L HN 0.415 nan 8.230 nan 0.000 0.433 3033 Q N -0.898 118.901 119.800 -0.001 0.000 2.187 3033 Q HA -0.134 4.206 4.340 0.000 0.000 0.199 3033 Q C 2.160 178.175 176.000 0.025 0.000 0.957 3033 Q CA 0.798 56.606 55.803 0.009 0.000 0.857 3033 Q CB 0.062 28.805 28.738 0.009 0.000 0.929 3033 Q HN 0.507 nan 8.270 nan 0.000 0.453 3034 Q N 0.460 120.275 119.800 0.025 0.000 2.204 3034 Q HA 0.037 4.377 4.340 0.000 0.000 0.198 3034 Q C 1.310 177.342 176.000 0.053 0.000 0.946 3034 Q CA 0.562 56.388 55.803 0.038 0.000 0.859 3034 Q CB 0.201 28.959 28.738 0.032 0.000 0.946 3034 Q HN 0.258 nan 8.270 nan 0.000 0.474 3035 S N -0.504 115.220 115.700 0.040 0.000 2.645 3035 S HA 0.341 4.811 4.470 0.000 0.000 0.266 3035 S C -0.644 174.018 174.600 0.104 0.000 1.258 3035 S CA -0.653 57.581 58.200 0.056 0.000 0.990 3035 S CB 0.885 64.093 63.200 0.014 0.000 0.967 3035 S HN 0.195 nan 8.310 nan 0.000 0.556 3036 Y N 1.851 122.134 120.300 -0.029 0.000 2.350 3036 Y HA 0.519 5.069 4.550 0.000 0.000 0.338 3036 Y C -2.556 173.294 175.900 -0.083 0.000 0.961 3036 Y CA -2.269 55.803 58.100 -0.046 0.000 1.100 3036 Y CB 1.948 40.386 38.460 -0.037 0.000 1.179 3036 Y HN 0.567 nan 8.280 nan 0.000 0.454 3037 P HA 0.197 nan 4.420 nan 0.000 0.271 3037 P C -1.266 175.805 177.300 -0.381 0.000 1.216 3037 P CA 0.129 62.978 63.100 -0.417 0.000 0.776 3037 P CB 1.950 33.400 31.700 -0.416 0.000 0.881 3038 V N 4.359 124.015 119.914 -0.431 0.000 2.841 3038 V HA 0.477 4.597 4.120 0.000 0.000 0.310 3038 V C -0.045 175.808 176.094 -0.402 0.000 1.090 3038 V CA -0.736 61.306 62.300 -0.431 0.000 0.930 3038 V CB 2.472 33.874 31.823 -0.702 0.000 1.014 3038 V HN 0.534 nan 8.190 nan 0.000 0.425 3039 I N 4.198 124.682 120.570 -0.144 0.000 2.478 3039 I HA 0.639 4.809 4.170 0.000 0.000 0.287 3039 I C -0.841 175.377 176.117 0.168 0.000 1.042 3039 I CA -0.096 61.221 61.300 0.029 0.000 1.067 3039 I CB 1.588 39.608 38.000 0.033 0.000 1.233 3039 I HN 0.933 nan 8.210 nan 0.000 0.431 3040 Q N 5.767 125.757 119.800 0.317 0.000 2.379 3040 Q HA 0.386 4.726 4.340 0.000 0.000 0.278 3040 Q C -1.368 174.857 176.000 0.376 0.000 1.068 3040 Q CA -0.939 55.082 55.803 0.363 0.000 0.816 3040 Q CB 1.932 30.853 28.738 0.304 0.000 1.387 3040 Q HN 0.672 nan 8.270 nan 0.000 0.413 3041 Q N 1.201 121.148 119.800 0.245 0.000 2.330 3041 Q HA 0.105 4.445 4.340 0.000 0.000 0.279 3041 Q C -0.556 175.448 176.000 0.006 0.000 1.024 3041 Q CA 0.133 55.851 55.803 -0.141 0.000 0.900 3041 Q CB 1.084 29.669 28.738 -0.256 0.000 1.221 3041 Q HN 0.707 nan 8.270 nan 0.000 0.396 3042 V N 2.966 122.878 119.914 -0.004 0.000 2.908 3042 V HA 0.191 4.311 4.120 0.000 0.000 0.240 3042 V C 0.188 176.300 176.094 0.031 0.000 1.117 3042 V CA 0.962 63.300 62.300 0.064 0.000 1.133 3042 V CB 0.421 32.322 31.823 0.130 0.000 0.857 3042 V HN 0.926 nan 8.190 nan 0.000 0.478 3043 E N -1.072 119.133 120.200 0.009 0.000 2.388 3043 E HA 0.407 4.757 4.350 0.000 0.000 0.282 3043 E C -1.653 174.925 176.600 -0.037 0.000 1.026 3043 E CA -0.345 56.066 56.400 0.019 0.000 0.820 3043 E CB 2.219 31.984 29.700 0.109 0.000 1.226 3043 E HN 0.158 nan 8.360 nan 0.000 0.432 3044 T N 2.558 117.022 114.554 -0.151 0.000 2.912 3044 T HA 0.496 4.846 4.350 0.000 0.000 0.299 3044 T C -1.295 173.125 174.700 -0.468 0.000 1.052 3044 T CA -0.626 61.282 62.100 -0.320 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 0.782 120.090 119.800 -0.821 0.000 2.353 3045 Q HA 0.581 4.921 4.340 0.000 0.000 0.275 3045 Q C -1.664 174.059 176.000 -0.462 0.000 1.029 3045 Q CA -0.603 54.835 55.803 -0.607 0.000 0.848 3045 Q CB 2.143 30.474 28.738 -0.678 0.000 1.390 3045 Q HN 0.646 nan 8.270 nan 0.000 0.401 3046 T N 3.610 118.045 114.554 -0.199 0.000 2.824 3046 T HA 0.772 5.122 4.350 0.000 0.000 0.282 3046 T C -1.222 173.477 174.700 -0.001 0.000 0.993 3046 T CA -0.371 61.624 62.100 -0.175 0.000 0.967 3046 T CB 0.358 69.132 68.868 -0.157 0.000 0.960 3046 T HN 0.457 nan 8.240 nan 0.000 0.441 3047 F N -0.202 119.639 119.950 -0.181 0.000 2.779 3047 F HA 0.734 5.261 4.527 0.000 0.000 0.316 3047 F C -1.589 174.177 175.800 -0.057 0.000 1.164 3047 F CA -1.319 56.641 58.000 -0.067 0.000 0.924 3047 F CB 1.145 40.168 39.000 0.039 0.000 1.348 3047 F HN 0.300 nan 8.300 nan 0.000 0.467 3048 D N 2.271 122.752 120.400 0.134 0.000 2.349 3048 D HA 0.367 5.007 4.640 0.000 0.000 0.232 3048 D C -1.893 174.561 176.300 0.255 0.000 1.071 3048 D CA -2.617 51.419 54.000 0.059 0.000 0.832 3048 D CB 2.247 43.102 40.800 0.090 0.000 1.086 3048 D HN 0.323 nan 8.370 nan 0.000 0.504 3049 P HA -0.077 nan 4.420 nan 0.000 0.228 3049 P C 0.880 178.302 177.300 0.203 0.000 1.151 3049 P CA 0.416 63.681 63.100 0.274 0.000 0.770 3049 P CB 0.264 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 -0.110 4.210 4.320 0.000 0.000 0.218 3050 A C 2.067 179.724 177.584 0.121 0.000 1.157 3050 A CA 1.136 53.264 52.037 0.151 0.000 0.670 3050 A CB -0.738 18.347 19.000 0.142 0.000 0.804 3050 A HN 0.144 nan 8.150 nan 0.000 0.453 3051 N N -1.015 117.767 118.700 0.138 0.000 2.349 3051 N HA 0.081 4.821 4.740 0.000 0.000 0.180 3051 N C 0.753 176.303 175.510 0.066 0.000 1.024 3051 N CA 0.656 53.767 53.050 0.102 0.000 0.869 3051 N CB 0.114 38.672 38.487 0.119 0.000 1.022 3051 N HN 0.518 nan 8.380 nan 0.000 0.433 3052 R N -0.175 120.385 120.500 0.101 0.000 2.561 3052 R HA 0.230 4.570 4.340 0.000 0.000 0.266 3052 R C -0.686 175.613 176.300 -0.001 0.000 1.091 3052 R CA -0.044 56.021 56.100 -0.058 0.000 0.927 3052 R CB 0.885 31.044 30.300 -0.236 0.000 1.240 3052 R HN 0.098 nan 8.270 nan 0.000 0.449 3053 S N 1.075 116.746 115.700 -0.048 0.000 2.733 3053 S HA 0.209 4.679 4.470 0.000 0.000 0.247 3053 S C -0.233 174.455 174.600 0.147 0.000 1.043 3053 S CA -0.234 58.067 58.200 0.168 0.000 1.066 3053 S CB 0.827 64.151 63.200 0.207 0.000 1.045 3053 S HN 0.164 nan 8.310 nan 0.000 0.586 3054 V N 2.708 122.495 119.914 -0.212 0.000 2.417 3054 V HA 0.643 4.763 4.120 0.000 0.000 0.291 3054 V C -1.339 174.450 176.094 -0.509 0.000 1.024 3054 V CA -0.553 61.635 62.300 -0.186 0.000 0.861 3054 V CB 0.964 32.686 31.823 -0.167 0.000 0.985 3054 V HN 0.405 nan 8.190 nan 0.000 0.436 3055 F N 2.088 121.976 119.950 -0.103 0.000 2.556 3055 F HA 0.473 5.000 4.527 0.000 0.000 0.314 3055 F C -0.069 175.652 175.800 -0.133 0.000 1.106 3055 F CA -0.833 57.104 58.000 -0.104 0.000 0.911 3055 F CB 1.918 40.882 39.000 -0.060 0.000 1.190 3055 F HN 0.385 nan 8.300 nan 0.000 0.448 3056 D N 3.172 123.593 120.400 0.034 0.000 2.427 3056 D HA 0.361 5.001 4.640 0.000 0.000 0.226 3056 D C -0.966 175.335 176.300 0.002 0.000 1.076 3056 D CA -0.069 53.915 54.000 -0.027 0.000 0.849 3056 D CB 1.429 42.190 40.800 -0.065 0.000 1.052 3056 D HN 0.198 nan 8.370 nan 0.000 0.515 3057 V N 3.304 123.193 119.914 -0.042 0.000 2.546 3057 V HA 0.295 4.415 4.120 0.000 0.000 0.284 3057 V C 0.794 176.848 176.094 -0.067 0.000 1.050 3057 V CA -0.335 61.946 62.300 -0.032 0.000 0.981 3057 V CB 1.671 33.438 31.823 -0.093 0.000 0.990 3057 V HN 0.504 nan 8.190 nan 0.000 0.474 3058 T N 6.727 121.265 114.554 -0.025 0.000 2.929 3058 T HA 0.359 4.709 4.350 0.000 0.000 0.331 3058 T C -2.369 172.334 174.700 0.006 0.000 1.120 3058 T CA -0.901 61.183 62.100 -0.026 0.000 0.973 3058 T CB 0.988 69.848 68.868 -0.013 0.000 1.036 3058 T HN 0.481 nan 8.240 nan 0.000 0.502 3059 P HA 0.309 nan 4.420 nan 0.000 0.269 3059 P C -0.534 176.823 177.300 0.095 0.000 1.215 3059 P CA -0.434 62.744 63.100 0.129 0.000 0.780 3059 P CB 0.459 32.329 31.700 0.284 0.000 0.898 3060 A N 2.296 125.167 122.820 0.085 0.000 2.388 3060 A HA 0.221 4.541 4.320 0.000 0.000 0.257 3060 A C 0.143 177.708 177.584 -0.032 0.000 1.095 3060 A CA -0.275 51.767 52.037 0.009 0.000 0.791 3060 A CB -0.287 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 1.205 119.883 118.700 -0.037 0.000 2.602 3061 N HA 0.428 5.168 4.740 0.000 0.000 0.238 3061 N C -1.246 174.205 175.510 -0.098 0.000 1.084 3061 N CA 0.171 53.197 53.050 -0.041 0.000 0.952 3061 N CB 0.901 39.384 38.487 -0.007 0.000 1.244 3061 N HN 0.307 nan 8.380 nan 0.000 0.512 3062 V N 0.320 120.115 119.914 -0.199 0.000 2.711 3062 V HA 0.624 4.744 4.120 0.000 0.000 0.304 3062 V C 0.829 176.783 176.094 -0.234 0.000 1.097 3062 V CA -0.656 61.488 62.300 -0.260 0.000 0.906 3062 V CB 1.331 32.867 31.823 -0.480 0.000 1.015 3062 V HN 0.783 nan 8.190 nan 0.000 0.427 3063 G N 4.905 113.655 108.800 -0.083 0.000 2.582 3063 G HA2 -0.265 3.695 3.960 0.000 0.000 0.300 3063 G HA3 -0.265 3.695 3.960 0.000 0.000 0.300 3063 G C -0.121 174.770 174.900 -0.015 0.000 1.300 3063 G CA 0.482 45.563 45.100 -0.031 0.000 0.959 3063 G HN 0.842 nan 8.290 nan 0.000 0.548 3064 I N 0.650 121.234 120.570 0.023 0.000 2.325 3064 I HA 0.353 4.523 4.170 0.000 0.000 0.291 3064 I C 0.456 176.609 176.117 0.059 0.000 1.019 3064 I CA -0.637 60.677 61.300 0.024 0.000 1.302 3064 I CB 1.461 39.465 38.000 0.007 0.000 1.401 3064 I HN 0.301 nan 8.210 nan 0.000 0.485 3065 V N 7.600 127.522 119.914 0.013 0.000 2.432 3065 V HA 0.171 4.291 4.120 0.000 0.000 0.275 3065 V C 0.808 176.840 176.094 -0.104 0.000 1.043 3065 V CA -0.304 61.968 62.300 -0.047 0.000 0.925 3065 V CB 1.227 32.984 31.823 -0.110 0.000 0.985 3065 V HN 0.743 nan 8.190 nan 0.000 0.466 3066 K N 2.797 123.134 120.400 -0.104 0.000 2.308 3066 K HA 0.483 4.803 4.320 0.000 0.000 0.197 3066 K C 0.803 177.301 176.600 -0.170 0.000 1.049 3066 K CA 0.708 56.973 56.287 -0.037 0.000 0.991 3066 K CB 0.662 33.228 32.500 0.109 0.000 0.836 3066 K HN 0.934 nan 8.250 nan 0.000 0.500 3067 G N -0.173 108.297 108.800 -0.549 0.000 2.315 3067 G HA2 0.344 4.304 3.960 0.000 0.000 0.294 3067 G HA3 0.344 4.304 3.960 0.000 0.000 0.294 3067 G C -1.951 172.069 174.900 -1.467 0.000 1.300 3067 G CA -1.061 43.357 45.100 -1.137 0.000 0.843 3067 G HN -0.012 nan 8.290 nan 0.000 0.527 3068 F N -0.518 118.845 119.950 -0.979 0.000 2.547 3068 F HA 0.673 5.200 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 -0.848 56.922 58.000 -0.382 0.000 0.911 3068 F CB 2.356 41.230 39.000 -0.210 0.000 1.179 3068 F HN 0.422 nan 8.300 nan 0.000 0.443 3069 L N 4.364 125.859 121.223 0.453 0.000 2.272 3069 L HA 0.719 5.059 4.340 0.000 0.000 0.289 3069 L C -1.051 176.157 176.870 0.563 0.000 1.032 3069 L CA -0.516 54.715 54.840 0.653 0.000 0.810 3069 L CB 1.148 43.627 42.059 0.700 0.000 1.205 3069 L HN 0.408 nan 8.230 nan 0.000 0.422 3070 V N 5.641 125.848 119.914 0.487 0.000 2.357 3070 V HA 0.391 4.511 4.120 0.000 0.000 0.284 3070 V C 0.060 176.316 176.094 0.270 0.000 1.018 3070 V CA -0.820 61.700 62.300 0.366 0.000 0.841 3070 V CB 1.166 33.141 31.823 0.252 0.000 0.991 3070 V HN 0.722 nan 8.190 nan 0.000 0.437 3071 K N 4.292 124.763 120.400 0.118 0.000 2.201 3071 K HA 0.675 4.995 4.320 0.000 0.000 0.278 3071 K C -1.325 175.242 176.600 -0.054 0.000 1.027 3071 K CA -0.342 55.727 56.287 -0.363 0.000 0.909 3071 K CB 1.482 33.835 32.500 -0.244 0.000 1.062 3071 K HN 0.498 nan 8.250 nan 0.000 0.465 3072 V N 3.666 123.532 119.914 -0.080 0.000 2.577 3072 V HA 0.335 4.455 4.120 0.000 0.000 0.303 3072 V C -0.288 175.822 176.094 0.027 0.000 1.042 3072 V CA -0.827 61.537 62.300 0.108 0.000 0.872 3072 V CB 1.643 33.660 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 -0.466 174.233 174.700 -0.002 0.000 1.045 3073 T CA -0.447 61.657 62.100 0.007 0.000 1.015 3073 T CB 2.365 71.227 68.868 -0.010 0.000 1.103 3073 T HN 1.448 nan 8.240 nan 0.000 0.496 3074 A N 0.370 123.225 122.820 0.057 0.000 2.612 3074 A HA 0.899 5.219 4.320 0.000 0.000 0.293 3074 A C -1.107 176.555 177.584 0.130 0.000 1.075 3074 A CA -0.733 51.366 52.037 0.103 0.000 0.680 3074 A CB 1.101 20.267 19.000 0.277 0.000 1.279 3074 A HN 1.731 nan 8.150 nan 0.000 0.411 3075 A N 0.986 123.892 122.820 0.142 0.000 2.330 3075 A HA 0.798 5.118 4.320 0.000 0.000 0.313 3075 A C -0.908 176.750 177.584 0.123 0.000 1.124 3075 A CA -0.294 51.801 52.037 0.097 0.000 0.774 3075 A CB 0.518 19.545 19.000 0.046 0.000 1.198 3075 A HN 0.796 nan 8.150 nan 0.000 0.465 3076 I N 1.593 122.185 120.570 0.037 0.000 2.545 3076 I HA 0.427 4.597 4.170 0.000 0.000 0.292 3076 I C -0.329 175.710 176.117 -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 -0.104 0.000 1.251 3076 I HN 0.578 nan 8.210 nan 0.000 0.424 3077 T N 4.003 118.458 114.554 -0.165 0.000 2.807 3077 T HA 0.274 4.624 4.350 0.000 0.000 0.279 3077 T C -0.395 174.151 174.700 -0.257 0.000 0.993 3077 T CA -0.602 61.395 62.100 -0.171 0.000 0.970 3077 T CB 1.151 69.959 68.868 -0.101 0.000 0.950 3077 T HN 0.417 nan 8.240 nan 0.000 0.441 3078 N N 2.756 121.316 118.700 -0.234 0.000 2.485 3078 N HA 0.189 4.929 4.740 0.000 0.000 0.243 3078 N C -0.015 175.414 175.510 -0.135 0.000 0.987 3078 N CA -0.519 52.389 53.050 -0.237 0.000 0.940 3078 N CB 0.406 38.759 38.487 -0.224 0.000 1.122 3078 N HN 0.368 nan 8.380 nan 0.000 0.509 3079 N N 1.506 120.135 118.700 -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 -0.188 38.252 38.487 -0.079 0.000 1.014 3079 N HN 0.654 nan 8.380 nan 0.000 0.491 3080 H N 0.321 119.325 119.070 -0.109 0.000 2.871 3080 H HA 0.195 4.751 4.556 0.000 0.000 0.355 3080 H C 1.325 176.615 175.328 -0.063 0.000 1.092 3080 H CA 0.390 56.389 56.048 -0.082 0.000 1.420 3080 H CB 1.094 30.805 29.762 -0.084 0.000 1.400 3080 H HN 0.131 nan 8.280 nan 0.000 0.604 3081 A N 2.574 125.187 122.820 -0.345 0.000 1.969 3081 A HA -0.125 4.195 4.320 0.000 0.000 0.218 3081 A C 1.869 179.467 177.584 0.024 0.000 1.169 3081 A CA 2.167 54.116 52.037 -0.146 0.000 0.635 3081 A CB -0.455 18.423 19.000 -0.203 0.000 0.810 3081 A HN 0.889 nan 8.150 nan 0.000 0.445 3082 T N -5.192 109.505 114.554 0.238 0.000 3.074 3082 T HA 0.178 4.528 4.350 0.000 0.000 0.258 3082 T C 0.160 174.940 174.700 0.134 0.000 0.891 3082 T CA -0.260 61.941 62.100 0.169 0.000 0.867 3082 T CB 0.117 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 1.742 122.028 120.200 0.142 0.000 2.242 3083 E HA 0.744 5.094 4.350 0.000 0.000 0.275 3083 E C -0.186 176.326 176.600 -0.146 0.000 1.002 3083 E CA -0.420 55.890 56.400 -0.150 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 1.685 124.441 122.820 -0.107 0.000 2.239 3084 A HA 0.683 5.003 4.320 0.000 0.000 0.303 3084 A C -0.111 177.420 177.584 -0.089 0.000 1.114 3084 A CA -0.545 51.439 52.037 -0.087 0.000 0.871 3084 A CB 0.742 19.714 19.000 -0.047 0.000 1.201 3084 A HN 0.400 nan 8.150 nan 0.000 0.506 3085 V N -4.013 115.866 119.914 -0.059 0.000 3.007 3085 V HA 0.936 5.056 4.120 0.000 0.000 0.311 3085 V C -0.223 175.956 176.094 0.142 0.000 1.120 3085 V CA -0.332 61.982 62.300 0.024 0.000 0.980 3085 V CB 1.099 32.934 31.823 0.019 0.000 1.033 3085 V HN 1.856 nan 8.190 nan 0.000 0.429 3086 A N 2.761 125.719 122.820 0.228 0.000 2.413 3086 A HA 0.856 5.176 4.320 0.000 0.000 0.307 3086 A C -0.550 177.158 177.584 0.207 0.000 1.087 3086 A CA -0.978 51.203 52.037 0.240 0.000 0.750 3086 A CB 1.457 20.517 19.000 0.099 0.000 1.296 3086 A HN 1.082 nan 8.150 nan 0.000 0.423 3087 L N 1.837 123.079 121.223 0.032 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 0.102 54.762 54.840 -0.301 0.000 0.864 3087 L CB 0.508 42.421 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 0.089 4.439 4.350 0.000 0.000 0.281 3088 T C 0.743 175.361 174.700 -0.137 0.000 0.981 3088 T CA -0.791 61.205 62.100 -0.175 0.000 0.955 3088 T CB 0.788 69.518 68.868 -0.230 0.000 1.060 3088 T HN 0.504 nan 8.240 nan 0.000 0.531 3089 D N -0.240 120.052 120.400 -0.180 0.000 2.178 3089 D HA -0.012 4.628 4.640 0.000 0.000 0.201 3089 D C 1.520 177.976 176.300 0.260 0.000 0.980 3089 D CA 1.044 55.034 54.000 -0.017 0.000 0.842 3089 D CB -0.221 40.523 40.800 -0.092 0.000 0.948 3089 D HN 0.469 nan 8.370 nan 0.000 0.472 3090 F N 0.190 120.078 119.950 -0.104 0.000 2.473 3090 F HA 0.242 4.769 4.527 0.000 0.000 0.294 3090 F C 2.201 177.954 175.800 -0.079 0.000 1.103 3090 F CA 0.431 58.406 58.000 -0.041 0.000 1.442 3090 F CB -0.943 38.009 39.000 -0.080 0.000 1.097 3090 F HN -0.019 nan 8.300 nan 0.000 0.547 3091 G N 2.644 111.470 108.800 0.043 0.000 2.685 3091 G HA2 -0.341 3.619 3.960 0.000 0.000 0.329 3091 G HA3 -0.341 3.619 3.960 0.000 0.000 0.329 3091 G C -1.110 173.764 174.900 -0.045 0.000 1.271 3091 G CA 0.578 45.620 45.100 -0.098 0.000 1.003 3091 G HN 0.210 nan 8.290 nan 0.000 0.549 3092 P HA 0.044 nan 4.420 nan 0.000 0.225 3092 P C 1.663 178.973 177.300 0.018 0.000 1.148 3092 P CA 2.317 65.423 63.100 0.010 0.000 0.779 3092 P CB -0.379 31.320 31.700 -0.002 0.000 0.780 3093 A N 0.185 122.974 122.820 -0.052 0.000 2.121 3093 A HA -0.115 4.205 4.320 0.000 0.000 0.218 3093 A C 1.878 179.595 177.584 0.221 0.000 1.154 3093 A CA 1.111 53.116 52.037 -0.054 0.000 0.679 3093 A CB -1.034 17.828 19.000 -0.229 0.000 0.795 3093 A HN 0.128 nan 8.150 nan 0.000 0.458 3094 N N -0.364 118.464 118.700 0.213 0.000 2.314 3094 N HA 0.174 4.914 4.740 0.000 0.000 0.200 3094 N C 1.105 176.755 175.510 0.235 0.000 1.135 3094 N CA 0.098 53.296 53.050 0.246 0.000 0.835 3094 N CB 0.029 38.644 38.487 0.214 0.000 0.989 3094 N HN 0.482 nan 8.380 nan 0.000 0.478 3095 L N -0.296 121.098 121.223 0.285 0.000 2.141 3095 L HA -0.013 4.327 4.340 0.000 0.000 0.209 3095 L C 0.330 177.377 176.870 0.295 0.000 1.094 3095 L CA 0.807 55.846 54.840 0.332 0.000 0.763 3095 L CB 0.191 42.467 42.059 0.363 0.000 0.908 3095 L HN -0.116 nan 8.230 nan 0.000 0.437 3096 V N 0.001 120.012 119.914 0.162 0.000 2.370 3096 V HA 0.120 4.240 4.120 0.000 0.000 0.283 3096 V C 0.558 176.558 176.094 -0.157 0.000 1.023 3096 V CA -0.524 61.646 62.300 -0.216 0.000 0.857 3096 V CB 1.677 33.067 31.823 -0.721 0.000 0.985 3096 V HN 0.184 nan 8.190 nan 0.000 0.443 3097 Q N 3.570 123.289 119.800 -0.134 0.000 2.123 3097 Q HA 0.200 4.540 4.340 0.000 0.000 0.196 3097 Q C 0.453 176.361 176.000 -0.153 0.000 0.958 3097 Q CA 1.017 56.784 55.803 -0.061 0.000 0.841 3097 Q CB 0.442 29.180 28.738 0.000 0.000 0.915 3097 Q HN 0.613 nan 8.270 nan 0.000 0.455 3098 R N -0.757 119.602 120.500 -0.236 0.000 2.707 3098 R HA 0.616 4.957 4.340 0.000 0.000 0.272 3098 R C -1.398 174.710 176.300 -0.320 0.000 1.011 3098 R CA -0.484 55.467 56.100 -0.248 0.000 0.893 3098 R CB 2.375 32.579 30.300 -0.160 0.000 1.233 3098 R HN -0.181 nan 8.270 nan 0.000 0.464 3099 V N 3.212 122.945 119.914 -0.301 0.000 2.686 3099 V HA 0.578 4.698 4.120 0.000 0.000 0.306 3099 V C -1.029 174.933 176.094 -0.221 0.000 1.065 3099 V CA -0.742 61.376 62.300 -0.303 0.000 0.894 3099 V CB 2.085 33.696 31.823 -0.354 0.000 1.004 3099 V HN 0.534 nan 8.190 nan 0.000 0.424 3100 I N 4.678 125.137 120.570 -0.184 0.000 2.569 3100 I HA 0.492 4.662 4.170 0.000 0.000 0.290 3100 I C -1.163 174.870 176.117 -0.139 0.000 1.088 3100 I CA -0.523 60.673 61.300 -0.174 0.000 1.047 3100 I CB 1.974 39.885 38.000 -0.148 0.000 1.237 3100 I HN 0.638 nan 8.210 nan 0.000 0.421 3101 Y N 6.096 126.212 120.300 -0.307 0.000 2.393 3101 Y HA 0.715 5.265 4.550 0.000 0.000 0.341 3101 Y C -1.733 173.995 175.900 -0.287 0.000 0.988 3101 Y CA -0.849 57.108 58.100 -0.238 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 4.123 123.866 120.300 -0.928 0.000 2.425 3102 Y HA 0.305 4.855 4.550 0.000 0.000 0.344 3102 Y C -0.250 175.082 175.900 -0.946 0.000 0.969 3102 Y CA -1.177 56.562 58.100 -0.601 0.000 1.052 3102 Y CB 1.314 39.582 38.460 -0.320 0.000 1.215 3102 Y HN 0.716 nan 8.280 nan 0.000 0.451 3103 D N 2.271 122.522 120.400 -0.249 0.000 2.478 3103 D HA 0.252 4.892 4.640 0.000 0.000 0.269 3103 D C -2.194 174.098 176.300 -0.013 0.000 1.232 3103 D CA -2.227 51.724 54.000 -0.082 0.000 1.059 3103 D CB 0.242 41.179 40.800 0.228 0.000 1.104 3103 D HN 0.164 nan 8.370 nan 0.000 0.566 3104 P HA -0.070 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 1.063 64.178 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 -1.990 118.445 120.400 0.059 0.000 2.328 3105 D HA 0.034 4.674 4.640 0.000 0.000 0.221 3105 D C 0.385 176.718 176.300 0.055 0.000 1.072 3105 D CA 0.099 54.131 54.000 0.054 0.000 0.850 3105 D CB -0.663 40.179 40.800 0.070 0.000 0.922 3105 D HN 0.005 nan 8.370 nan 0.000 0.516 3106 N N 1.101 119.833 118.700 0.054 0.000 2.741 3106 N HA -0.229 4.511 4.740 0.000 0.000 0.250 3106 N C -0.323 175.304 175.510 0.194 0.000 1.115 3106 N CA 0.453 53.549 53.050 0.076 0.000 0.724 3106 N CB -0.910 37.570 38.487 -0.011 0.000 1.090 3106 N HN 0.164 nan 8.380 nan 0.000 0.558 3107 Q N 1.047 120.958 119.800 0.184 0.000 2.279 3107 Q HA 0.299 4.639 4.340 0.000 0.000 0.256 3107 Q C -0.124 176.006 176.000 0.215 0.000 0.937 3107 Q CA -0.286 55.620 55.803 0.173 0.000 0.933 3107 Q CB 0.750 29.564 28.738 0.127 0.000 1.189 3107 Q HN 0.300 nan 8.270 nan 0.000 0.417 3108 R N 3.958 124.509 120.500 0.084 0.000 2.438 3108 R HA 0.190 4.530 4.340 0.000 0.000 0.287 3108 R C -0.088 176.216 176.300 0.007 0.000 1.077 3108 R CA 0.069 56.077 56.100 -0.154 0.000 1.034 3108 R CB 0.421 30.536 30.300 -0.309 0.000 0.993 3108 R HN 0.884 nan 8.270 nan 0.000 0.459 3109 H N 0.910 119.920 119.070 -0.100 0.000 4.661 3109 H HA 0.147 4.703 4.556 0.000 0.000 0.141 3109 H C 0.061 175.295 175.328 -0.156 0.000 1.436 3109 H CA -0.457 55.559 56.048 -0.052 0.000 1.052 3109 H CB 0.141 29.948 29.762 0.075 0.000 1.383 3109 H HN 0.435 nan 8.280 nan 0.000 0.422 3110 T N 1.378 115.923 114.554 -0.015 0.000 2.940 3110 T HA 0.086 4.436 4.350 0.000 0.000 0.309 3110 T C 0.087 174.700 174.700 -0.144 0.000 1.056 3110 T CA 0.524 62.533 62.100 -0.152 0.000 1.137 3110 T CB 0.313 69.051 68.868 -0.217 0.000 0.976 3110 T HN 0.419 nan 8.240 nan 0.000 0.547 3111 E N 1.776 121.895 120.200 -0.135 0.000 2.542 3111 E HA 0.439 4.789 4.350 0.000 0.000 0.298 3111 E C -0.868 175.672 176.600 -0.101 0.000 0.980 3111 E CA -0.493 55.830 56.400 -0.129 0.000 0.792 3111 E CB 1.032 30.666 29.700 -0.110 0.000 1.463 3111 E HN 0.584 nan 8.360 nan 0.000 0.389 3112 T N 1.159 115.625 114.554 -0.147 0.000 2.665 3112 T HA 0.470 4.820 4.350 0.000 0.000 0.303 3112 T C -0.990 173.553 174.700 -0.261 0.000 1.334 3112 T CA -0.158 61.847 62.100 -0.157 0.000 1.011 3112 T CB 1.010 69.841 68.868 -0.063 0.000 1.573 3112 T HN 0.458 nan 8.240 nan 0.000 0.492 3113 S N 0.012 115.475 115.700 -0.396 0.000 2.617 3113 S HA 0.485 4.955 4.470 0.000 0.000 0.269 3113 S C 1.638 175.943 174.600 -0.492 0.000 1.292 3113 S CA 0.045 57.938 58.200 -0.511 0.000 1.010 3113 S CB 0.878 63.514 63.200 -0.939 0.000 0.944 3113 S HN 1.079 nan 8.310 nan 0.000 0.536 3114 G N 1.212 109.800 108.800 -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 -0.030 0.000 1.154 3114 G CA 0.805 45.764 45.100 -0.235 0.000 0.767 3114 G HN 0.960 nan 8.290 nan 0.000 0.552 3115 W N 0.202 121.459 121.300 -0.072 0.000 2.388 3115 W HA -0.047 4.613 4.660 0.000 0.000 0.294 3115 W C 1.801 178.015 176.519 -0.508 0.000 1.212 3115 W CA 0.886 57.993 57.345 -0.396 0.000 1.271 3115 W CB -1.088 28.101 29.460 -0.452 0.000 1.126 3115 W HN 0.425 nan 8.180 nan 0.000 0.535 3116 H N 1.167 119.806 119.070 -0.719 0.000 2.357 3116 H HA -0.173 4.383 4.556 0.000 0.000 0.301 3116 H C 2.360 177.558 175.328 -0.216 0.000 1.082 3116 H CA 1.745 57.522 56.048 -0.453 0.000 1.342 3116 H CB -0.071 29.224 29.762 -0.778 0.000 1.389 3116 H HN 0.117 nan 8.280 nan 0.000 0.511 3117 L N 0.968 121.956 121.223 -0.392 0.000 2.042 3117 L HA -0.196 4.144 4.340 0.000 0.000 0.210 3117 L C 2.555 179.322 176.870 -0.171 0.000 1.076 3117 L CA 2.371 57.020 54.840 -0.318 0.000 0.749 3117 L CB -1.066 40.871 42.059 -0.203 0.000 0.893 3117 L HN 0.360 nan 8.230 nan 0.000 0.432 3118 H N -1.012 117.972 119.070 -0.144 0.000 2.353 3118 H HA -0.186 4.370 4.556 0.000 0.000 0.300 3118 H C 1.915 177.215 175.328 -0.046 0.000 1.090 3118 H CA 2.222 58.179 56.048 -0.151 0.000 1.327 3118 H CB -0.562 29.082 29.762 -0.197 0.000 1.383 3118 H HN 0.470 nan 8.280 nan 0.000 0.508 3119 F N -0.760 119.071 119.950 -0.198 0.000 2.216 3119 F HA -0.156 4.371 4.527 0.000 0.000 0.300 3119 F C 2.522 178.249 175.800 -0.121 0.000 1.085 3119 F CA 0.550 58.480 58.000 -0.116 0.000 1.326 3119 F CB -0.034 38.939 39.000 -0.044 0.000 1.027 3119 F HN 0.085 nan 8.300 nan 0.000 0.497 3120 V N 0.258 120.162 119.914 -0.018 0.000 2.453 3120 V HA -0.284 3.836 4.120 0.000 0.000 0.247 3120 V C 1.645 177.679 176.094 -0.100 0.000 1.048 3120 V CA 1.957 64.231 62.300 -0.044 0.000 1.049 3120 V CB -0.779 30.957 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 -0.235 0.000 1.024 3121 N CA 1.817 54.592 53.050 -0.459 0.000 0.853 3121 N CB -0.212 37.572 38.487 -1.172 0.000 1.008 3121 N HN 0.414 nan 8.380 nan 0.000 0.424 3122 T N 0.566 115.017 114.554 -0.171 0.000 2.708 3122 T HA -0.091 4.259 4.350 0.000 0.000 0.266 3122 T C 2.062 176.733 174.700 -0.047 0.000 1.037 3122 T CA 1.190 63.268 62.100 -0.037 0.000 1.146 3122 T CB -0.327 68.500 68.868 -0.069 0.000 0.865 3122 T HN 0.333 nan 8.240 nan 0.000 0.435 3123 A N 1.915 124.715 122.820 -0.035 0.000 1.908 3123 A HA -0.145 4.175 4.320 0.000 0.000 0.218 3123 A C 2.264 179.841 177.584 -0.012 0.000 1.181 3123 A CA 1.366 53.347 52.037 -0.093 0.000 0.627 3123 A CB -0.324 18.564 19.000 -0.187 0.000 0.818 3123 A HN 0.303 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 -0.139 4.181 4.320 0.000 0.000 0.202 3124 K C 2.120 178.703 176.600 -0.027 0.000 1.051 3124 K CA 1.408 57.681 56.287 -0.023 0.000 0.952 3124 K CB -0.200 32.259 32.500 -0.068 0.000 0.736 3124 K HN 0.772 nan 8.250 nan 0.000 0.453 3125 Q N -0.005 119.798 119.800 0.004 0.000 2.187 3125 Q HA -0.068 4.272 4.340 0.000 0.000 0.199 3125 Q C 0.675 176.664 176.000 -0.019 0.000 0.957 3125 Q CA 1.298 57.109 55.803 0.014 0.000 0.857 3125 Q CB 0.270 29.070 28.738 0.102 0.000 0.929 3125 Q HN 0.421 nan 8.270 nan 0.000 0.453 3126 G N -0.560 108.223 108.800 -0.029 0.000 2.141 3126 G HA2 -0.150 3.810 3.960 0.000 0.000 0.231 3126 G HA3 -0.150 3.810 3.960 0.000 0.000 0.231 3126 G C -0.057 174.802 174.900 -0.068 0.000 0.984 3126 G CA 0.174 45.248 45.100 -0.043 0.000 0.660 3126 G HN 0.840 nan 8.290 nan 0.000 0.525 3127 A N -1.278 121.499 122.820 -0.072 0.000 2.586 3127 A HA 0.790 5.110 4.320 0.000 0.000 0.291 3127 A C -3.154 174.396 177.584 -0.056 0.000 1.062 3127 A CA -0.743 51.244 52.037 -0.084 0.000 0.666 3127 A CB 0.709 19.670 19.000 -0.066 0.000 1.281 3127 A HN 0.158 nan 8.150 nan 0.000 0.421 3128 P HA 0.129 nan 4.420 nan 0.000 0.258 3128 P C -0.350 177.015 177.300 0.107 0.000 1.172 3128 P CA 0.519 63.635 63.100 0.026 0.000 0.762 3128 P CB -0.147 31.570 31.700 0.027 0.000 0.764 3129 F N 5.760 125.716 119.950 0.011 0.000 2.580 3129 F HA -0.068 4.459 4.527 0.000 0.000 0.398 3129 F C 1.172 176.994 175.800 0.035 0.000 1.023 3129 F CA 0.373 58.388 58.000 0.025 0.000 1.188 3129 F CB -0.424 38.615 39.000 0.066 0.000 1.005 3129 F HN 0.274 nan 8.300 nan 0.000 0.546 3130 L N 3.579 124.445 121.223 -0.595 0.000 3.976 3130 L HA -0.327 4.013 4.340 0.000 0.000 0.418 3130 L C 0.654 177.374 176.870 -0.250 0.000 1.177 3130 L CA 0.550 55.056 54.840 -0.557 0.000 0.968 3130 L CB -2.376 39.201 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 0.322 174.874 174.600 -0.080 0.000 1.258 3131 S CA -0.051 58.107 58.200 -0.070 0.000 0.990 3131 S CB 2.185 65.370 63.200 -0.025 0.000 0.967 3131 S HN 0.273 nan 8.310 nan 0.000 0.556 3132 S N 1.446 117.116 115.700 -0.051 0.000 2.474 3132 S HA 0.405 4.875 4.470 0.000 0.000 0.321 3132 S C -0.355 174.224 174.600 -0.035 0.000 1.080 3132 S CA -0.831 57.343 58.200 -0.045 0.000 1.106 3132 S CB 0.006 63.191 63.200 -0.024 0.000 0.984 3132 S HN 0.775 nan 8.310 nan 0.000 0.464 3133 M N 5.883 125.455 119.600 -0.047 0.000 2.238 3133 M HA 0.369 4.849 4.480 0.000 0.000 0.347 3133 M C -1.063 175.218 176.300 -0.032 0.000 1.173 3133 M CA -0.255 55.019 55.300 -0.044 0.000 1.147 3133 M CB 0.638 33.201 32.600 -0.061 0.000 1.547 3133 M HN 0.423 nan 8.290 nan 0.000 0.455 3134 V N 4.720 124.621 119.914 -0.023 0.000 2.498 3134 V HA 0.468 4.588 4.120 0.000 0.000 0.279 3134 V C 0.441 176.524 176.094 -0.017 0.000 1.048 3134 V CA -0.221 62.073 62.300 -0.011 0.000 0.967 3134 V CB 0.995 32.815 31.823 -0.004 0.000 0.988 3134 V HN 1.022 nan 8.190 nan 0.000 0.473 3135 T N -0.085 114.463 114.554 -0.011 0.000 2.838 3135 T HA 0.353 4.703 4.350 0.000 0.000 0.292 3135 T C 0.271 174.973 174.700 0.003 0.000 1.113 3135 T CA -0.263 61.828 62.100 -0.016 0.000 1.008 3135 T CB 1.910 70.754 68.868 -0.041 0.000 1.259 3135 T HN 0.619 nan 8.240 nan 0.000 0.520 3136 D N -0.131 120.270 120.400 0.002 0.000 2.328 3136 D HA 0.084 4.724 4.640 0.000 0.000 0.226 3136 D C 0.653 176.968 176.300 0.026 0.000 1.066 3136 D CA -0.193 53.814 54.000 0.011 0.000 0.861 3136 D CB -0.355 40.449 40.800 0.005 0.000 0.912 3136 D HN 0.388 nan 8.370 nan 0.000 0.521 3137 S N 1.816 117.540 115.700 0.041 0.000 2.525 3137 S HA 0.092 4.562 4.470 0.000 0.000 0.285 3137 S C -1.045 173.609 174.600 0.089 0.000 1.283 3137 S CA -0.925 57.325 58.200 0.082 0.000 1.072 3137 S CB 1.001 64.292 63.200 0.151 0.000 0.867 3137 S HN 0.097 nan 8.310 nan 0.000 0.492 3138 P HA 0.081 nan 4.420 nan 0.000 0.227 3138 P C 0.123 177.441 177.300 0.030 0.000 1.161 3138 P CA 0.271 63.395 63.100 0.040 0.000 0.788 3138 P CB -0.018 31.697 31.700 0.025 0.000 0.822 3139 I N 1.175 121.777 120.570 0.053 0.000 2.648 3139 I HA -0.021 4.149 4.170 0.000 0.000 0.284 3139 I C 1.332 177.395 176.117 -0.089 0.000 1.153 3139 I CA 0.274 61.547 61.300 -0.046 0.000 1.426 3139 I CB 0.233 38.203 38.000 -0.050 0.000 1.381 3139 I HN -0.272 nan 8.210 nan 0.000 0.571 3140 K N 6.660 126.954 120.400 -0.177 0.000 3.000 3140 K HA 0.096 4.416 4.320 0.000 0.000 0.265 3140 K C -0.732 175.776 176.600 -0.154 0.000 1.260 3140 K CA -0.017 56.196 56.287 -0.124 0.000 1.209 3140 K CB -0.528 31.918 32.500 -0.090 0.000 1.484 3140 K HN 0.388 nan 8.250 nan 0.000 0.283 3141 Y N 0.443 120.732 120.300 -0.019 0.000 2.281 3141 Y HA 0.317 4.867 4.550 0.000 0.000 0.337 3141 Y C 1.546 177.432 175.900 -0.023 0.000 1.304 3141 Y CA 0.586 58.671 58.100 -0.024 0.000 1.465 3141 Y CB 0.931 39.375 38.460 -0.027 0.000 1.350 3141 Y HN 0.469 nan 8.280 nan 0.000 0.575 3142 G N 0.158 109.052 108.800 0.157 0.000 2.302 3142 G HA2 -0.069 3.891 3.960 0.000 0.000 0.264 3142 G HA3 -0.069 3.891 3.960 0.000 0.000 0.264 3142 G C -1.769 173.154 174.900 0.039 0.000 1.335 3142 G CA -0.866 44.278 45.100 0.074 0.000 0.982 3142 G HN 0.540 nan 8.290 nan 0.000 0.473 3143 D N 0.500 120.913 120.400 0.022 0.000 2.470 3143 D HA 0.437 5.077 4.640 0.000 0.000 0.226 3143 D C 1.352 177.659 176.300 0.011 0.000 1.196 3143 D CA 0.193 54.200 54.000 0.012 0.000 0.979 3143 D CB 0.741 41.548 40.800 0.012 0.000 1.059 3143 D HN 0.267 nan 8.370 nan 0.000 0.515 3144 V N 3.152 123.071 119.914 0.008 0.000 2.672 3144 V HA -0.022 4.098 4.120 0.000 0.000 0.242 3144 V C 1.876 177.972 176.094 0.003 0.000 1.059 3144 V CA 0.714 63.015 62.300 0.002 0.000 1.081 3144 V CB -0.092 31.728 31.823 -0.005 0.000 0.752 3144 V HN 0.557 nan 8.190 nan 0.000 0.472 3145 M N -0.414 119.187 119.600 0.001 0.000 2.371 3145 M HA 0.286 4.766 4.480 0.000 0.000 0.246 3145 M C 0.381 176.694 176.300 0.022 0.000 1.103 3145 M CA 0.107 55.411 55.300 0.007 0.000 1.010 3145 M CB -0.649 31.947 32.600 -0.007 0.000 1.457 3145 M HN 0.380 nan 8.290 nan 0.000 0.486 3146 N N 1.199 119.911 118.700 0.021 0.000 2.705 3146 N HA -0.142 4.598 4.740 0.000 0.000 0.255 3146 N C 1.007 176.555 175.510 0.064 0.000 1.008 3146 N CA 0.251 53.324 53.050 0.037 0.000 0.742 3146 N CB -1.126 37.388 38.487 0.045 0.000 0.906 3146 N HN 0.149 nan 8.380 nan 0.000 0.541 3147 V N -0.219 119.716 119.914 0.035 0.000 2.261 3147 V HA -0.105 4.015 4.120 0.000 0.000 0.246 3147 V C 1.405 177.601 176.094 0.170 0.000 1.047 3147 V CA 1.565 63.899 62.300 0.056 0.000 1.015 3147 V CB 0.026 31.765 31.823 -0.140 0.000 0.642 3147 V HN 0.404 nan 8.190 nan 0.000 0.446 3148 I N 0.408 121.027 120.570 0.081 0.000 2.447 3148 I HA 0.504 4.674 4.170 0.000 0.000 0.287 3148 I C -1.139 175.012 176.117 0.056 0.000 1.023 3148 I CA -0.317 61.040 61.300 0.094 0.000 1.083 3148 I CB 1.794 39.830 38.000 0.059 0.000 1.245 3148 I HN 0.258 nan 8.210 nan 0.000 0.434 3149 D N 5.464 125.901 120.400 0.062 0.000 2.717 3149 D HA 0.785 5.425 4.640 0.000 0.000 0.223 3149 D C -1.671 174.670 176.300 0.068 0.000 1.240 3149 D CA -0.310 53.724 54.000 0.056 0.000 0.801 3149 D CB 2.254 43.089 40.800 0.059 0.000 1.556 3149 D HN 0.697 nan 8.370 nan 0.000 0.462 3150 A N 2.440 125.303 122.820 0.072 0.000 2.532 3150 A HA 0.643 4.963 4.320 0.000 0.000 0.296 3150 A C -2.818 174.842 177.584 0.128 0.000 1.058 3150 A CA -1.153 50.951 52.037 0.112 0.000 0.729 3150 A CB 1.413 20.463 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 0.988 178.411 177.300 0.204 0.000 1.204 3151 P CA 0.508 63.700 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 3.478 126.377 122.820 0.131 0.000 1.978 3152 A HA -0.030 4.290 4.320 0.000 0.000 0.220 3152 A C 1.117 178.815 177.584 0.190 0.000 1.170 3152 A CA 1.890 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 -3.739 110.920 114.554 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 61.561 62.100 0.145 0.000 1.007 3153 T CB 1.504 70.411 68.868 0.066 0.000 1.186 3153 T HN 0.173 nan 8.240 nan 0.000 0.499 3154 I N 1.775 122.290 120.570 -0.093 0.000 2.439 3154 I HA 0.567 4.737 4.170 0.000 0.000 0.283 3154 I C 0.642 176.676 176.117 -0.138 0.000 1.023 3154 I CA -1.125 60.063 61.300 -0.188 0.000 1.100 3154 I CB 1.403 39.154 38.000 -0.415 0.000 1.238 3154 I HN 1.024 nan 8.210 nan 0.000 0.445 3155 A N 4.692 127.461 122.820 -0.085 0.000 2.346 3155 A HA 0.697 5.017 4.320 0.000 0.000 0.252 3155 A C 0.658 178.202 177.584 -0.067 0.000 1.089 3155 A CA -0.246 51.754 52.037 -0.062 0.000 0.797 3155 A CB 0.436 19.414 19.000 -0.036 0.000 1.047 3155 A HN 0.838 nan 8.150 nan 0.000 0.494 3156 A N -0.053 122.743 122.820 -0.040 0.000 2.567 3156 A HA 0.457 4.777 4.320 0.000 0.000 0.240 3156 A C 1.621 179.186 177.584 -0.030 0.000 1.053 3156 A CA 0.923 52.950 52.037 -0.016 0.000 0.755 3156 A CB -1.017 18.004 19.000 0.034 0.000 0.978 3156 A HN 2.755 nan 8.150 nan 0.000 0.507 3157 G N 0.702 109.476 108.800 -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 0.519 175.386 174.900 -0.054 0.000 0.979 3157 G CA 0.611 45.684 45.100 -0.046 0.000 0.641 3157 G HN 2.196 nan 8.290 nan 0.000 0.530 3158 A N -0.579 122.199 122.820 -0.069 0.000 2.281 3158 A HA 0.881 5.201 4.320 0.000 0.000 0.329 3158 A C 0.176 177.705 177.584 -0.092 0.000 1.122 3158 A CA 0.535 52.530 52.037 -0.070 0.000 0.850 3158 A CB 1.229 20.190 19.000 -0.066 0.000 1.207 3158 A HN 0.702 nan 8.150 nan 0.000 0.495 3159 T N 0.575 115.086 114.554 -0.072 0.000 2.812 3159 T HA 0.625 4.975 4.350 0.000 0.000 0.282 3159 T C 0.159 174.825 174.700 -0.056 0.000 0.990 3159 T CA 0.021 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 1.862 110.623 108.800 -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 -0.970 173.946 174.900 0.027 0.000 1.170 3160 G CA -0.607 44.481 45.100 -0.021 0.000 0.943 3160 G HN 0.490 nan 8.290 nan 0.000 0.483 3161 E N 0.662 120.894 120.200 0.052 0.000 2.183 3161 E HA 0.488 4.838 4.350 0.000 0.000 0.271 3161 E C -0.442 176.216 176.600 0.097 0.000 0.919 3161 E CA -0.421 56.019 56.400 0.068 0.000 0.781 3161 E CB 2.452 32.180 29.700 0.047 0.000 1.140 3161 E HN 0.306 nan 8.360 nan 0.000 0.402 3162 L N 0.863 122.155 121.223 0.114 0.000 2.354 3162 L HA 0.654 4.994 4.340 0.000 0.000 0.264 3162 L C -0.120 176.808 176.870 0.097 0.000 1.008 3162 L CA -0.888 54.026 54.840 0.123 0.000 0.819 3162 L CB 2.143 44.304 42.059 0.171 0.000 1.339 3162 L HN 0.333 nan 8.230 nan 0.000 0.420 3163 T N 2.146 116.752 114.554 0.087 0.000 2.916 3163 T HA 0.702 5.052 4.350 0.000 0.000 0.298 3163 T C -0.857 173.884 174.700 0.069 0.000 1.031 3163 T CA -0.438 61.707 62.100 0.074 0.000 0.993 3163 T CB 2.281 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 2.931 122.541 119.600 0.016 0.000 2.484 3164 M HA 0.672 5.152 4.480 0.000 0.000 0.289 3164 M C -2.433 173.808 176.300 -0.098 0.000 1.206 3164 M CA -0.710 54.576 55.300 -0.024 0.000 0.892 3164 M CB 1.764 34.325 32.600 -0.064 0.000 1.712 3164 M HN 0.631 nan 8.290 nan 0.000 0.462 3165 Y N 2.572 122.831 120.300 -0.068 0.000 2.462 3165 Y HA 0.704 5.254 4.550 0.000 0.000 0.346 3165 Y C -1.566 174.368 175.900 0.057 0.000 0.976 3165 Y CA -0.331 57.838 58.100 0.115 0.000 1.044 3165 Y CB 2.088 40.671 38.460 0.204 0.000 1.230 3165 Y HN 0.621 nan 8.280 nan 0.000 0.455 3166 Y N 1.424 122.007 120.300 0.473 0.000 2.477 3166 Y HA 0.270 4.820 4.550 0.000 0.000 0.347 3166 Y C -0.946 175.172 175.900 0.363 0.000 0.981 3166 Y CA -1.521 56.760 58.100 0.301 0.000 1.033 3166 Y CB 1.941 40.459 38.460 0.098 0.000 1.245 3166 Y HN 0.646 nan 8.280 nan 0.000 0.455 3167 W N 5.219 126.608 121.300 0.148 0.000 2.329 3167 W HA 0.658 5.318 4.660 0.000 0.000 0.312 3167 W C -1.860 174.683 176.519 0.040 0.000 1.054 3167 W CA -1.016 56.404 57.345 0.126 0.000 1.245 3167 W CB 1.408 30.899 29.460 0.052 0.000 1.255 3167 W HN 0.306 nan 8.180 nan 0.000 0.436 3168 V N 9.461 129.096 119.914 -0.465 0.000 2.334 3168 V HA 0.185 4.305 4.120 0.000 0.000 0.267 3168 V C -1.590 174.003 176.094 -0.835 0.000 1.040 3168 V CA -1.554 60.471 62.300 -0.457 0.000 0.866 3168 V CB 0.887 32.572 31.823 -0.229 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 0.046 177.217 177.300 -0.216 0.000 1.249 3169 P CA -0.295 62.598 63.100 -0.346 0.000 0.806 3169 P CB 2.501 34.321 31.700 0.201 0.000 0.984 3170 L N 1.261 122.410 121.223 -0.125 0.000 2.675 3170 L HA 0.327 4.667 4.340 0.000 0.000 0.178 3170 L C 1.364 178.361 176.870 0.212 0.000 1.135 3170 L CA 0.096 54.891 54.840 -0.076 0.000 0.855 3170 L CB -0.783 41.106 42.059 -0.285 0.000 1.235 3170 L HN 0.323 nan 8.230 nan 0.000 0.499 3171 A N -0.921 121.996 122.820 0.163 0.000 2.407 3171 A HA -0.005 4.315 4.320 0.000 0.000 0.248 3171 A C 0.511 178.263 177.584 0.280 0.000 1.082 3171 A CA 0.014 52.172 52.037 0.201 0.000 0.785 3171 A CB -0.001 19.079 19.000 0.133 0.000 1.020 3171 A HN 0.356 nan 8.150 nan 0.000 0.489 3172 Y N 2.220 122.523 120.300 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 59.652 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 0.883 nan 8.280 nan 0.000 0.515 3173 S N -2.430 113.249 115.700 -0.036 0.000 2.757 3173 S HA 0.263 4.733 4.470 0.000 0.000 0.285 3173 S C 0.371 174.956 174.600 -0.026 0.000 1.196 3173 S CA -0.624 57.509 58.200 -0.111 0.000 0.856 3173 S CB 1.064 64.175 63.200 -0.149 0.000 1.212 3173 S HN 0.076 nan 8.310 nan 0.000 0.516 3174 E N 1.076 121.231 120.200 -0.075 0.000 2.204 3174 E HA -0.019 4.331 4.350 0.000 0.000 0.194 3174 E C 1.722 178.298 176.600 -0.041 0.000 0.989 3174 E CA 1.910 58.267 56.400 -0.071 0.000 0.824 3174 E CB -0.370 29.259 29.700 -0.118 0.000 0.756 3174 E HN 0.848 nan 8.360 nan 0.000 0.477 3175 T N -2.434 112.108 114.554 -0.020 0.000 2.990 3175 T HA 0.051 4.401 4.350 0.000 0.000 0.250 3175 T C 0.475 175.187 174.700 0.020 0.000 1.041 3175 T CA -0.289 61.807 62.100 -0.006 0.000 1.010 3175 T CB 0.423 69.287 68.868 -0.007 0.000 1.003 3175 T HN -0.201 nan 8.240 nan 0.000 0.499 3176 D N 1.218 121.652 120.400 0.057 0.000 2.441 3176 D HA 0.308 4.948 4.640 0.000 0.000 0.231 3176 D C 0.617 176.959 176.300 0.070 0.000 1.073 3176 D CA -0.718 53.329 54.000 0.078 0.000 0.850 3176 D CB 0.948 41.858 40.800 0.185 0.000 1.062 3176 D HN 0.211 nan 8.370 nan 0.000 0.524 3177 L N 2.589 123.825 121.223 0.021 0.000 2.645 3177 L HA 0.084 4.424 4.340 0.000 0.000 0.235 3177 L C 0.755 177.623 176.870 -0.004 0.000 1.150 3177 L CA 0.168 55.020 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 0.761 115.279 114.554 -0.061 0.000 2.871 3178 T HA 0.248 4.598 4.350 0.000 0.000 0.296 3178 T C 1.246 175.921 174.700 -0.041 0.000 0.998 3178 T CA 1.009 62.992 62.100 -0.195 0.000 1.162 3178 T CB 0.910 69.438 68.868 -0.566 0.000 0.947 3178 T HN 0.623 nan 8.240 nan 0.000 0.536 3179 G N 2.077 110.880 108.800 0.006 0.000 2.194 3179 G HA2 -0.092 3.868 3.960 0.000 0.000 0.236 3179 G HA3 -0.092 3.868 3.960 0.000 0.000 0.236 3179 G C 0.372 175.378 174.900 0.177 0.000 0.987 3179 G CA -0.041 45.166 45.100 0.177 0.000 0.635 3179 G HN 1.149 nan 8.290 nan 0.000 0.520 3180 A N -0.499 122.381 122.820 0.100 0.000 2.429 3180 A HA 0.646 4.966 4.320 0.000 0.000 0.242 3180 A C 0.407 178.035 177.584 0.073 0.000 1.088 3180 A CA 0.810 52.883 52.037 0.060 0.000 0.784 3180 A CB 0.834 19.856 19.000 0.037 0.000 1.038 3180 A HN 1.213 nan 8.150 nan 0.000 0.501 3181 V N 1.609 121.545 119.914 0.036 0.000 2.487 3181 V HA 0.322 4.442 4.120 0.000 0.000 0.298 3181 V C -0.568 175.559 176.094 0.056 0.000 1.028 3181 V CA -0.506 61.837 62.300 0.072 0.000 0.860 3181 V CB 1.404 33.272 31.823 0.075 0.000 0.991 3181 V HN 0.775 nan 8.190 nan 0.000 0.427 3182 L N 5.318 126.581 121.223 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 0.158 55.029 54.840 0.051 0.000 0.822 3182 L CB 0.769 42.864 42.059 0.059 0.000 1.186 3182 L HN 0.746 nan 8.230 nan 0.000 0.436 3183 A N 4.311 127.155 122.820 0.039 0.000 2.938 3183 A HA 0.495 4.815 4.320 0.000 0.000 0.344 3183 A C -0.067 177.530 177.584 0.021 0.000 1.142 3183 A CA -0.444 51.616 52.037 0.038 0.000 0.841 3183 A CB -0.623 18.401 19.000 0.039 0.000 1.083 3183 A HN 0.810 nan 8.150 nan 0.000 0.479 3184 N N -0.084 118.645 118.700 0.047 0.000 2.299 3184 N HA 0.183 4.923 4.740 0.000 0.000 0.246 3184 N C -0.992 174.554 175.510 0.061 0.000 1.254 3184 N CA -0.170 52.916 53.050 0.060 0.000 0.879 3184 N CB 0.583 39.140 38.487 0.116 0.000 1.214 3184 N HN 0.063 nan 8.380 nan 0.000 0.510 3185 V N 1.768 121.709 119.914 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 0.024 0.000 1.036 3185 V CA -1.612 60.711 62.300 0.037 0.000 0.821 3185 V CB 0.809 32.654 31.823 0.037 0.000 1.052 3185 V HN 0.082 nan 8.190 nan 0.000 0.462 3186 P HA 0.326 nan 4.420 nan 0.000 0.266 3186 P C 0.630 177.935 177.300 0.008 0.000 1.195 3186 P CA 1.300 64.408 63.100 0.013 0.000 0.768 3186 P CB 0.515 32.223 31.700 0.014 0.000 0.838 3187 Q N -0.403 119.399 119.800 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 1.417 57.218 55.803 -0.002 0.000 1.355 3187 Q CB -2.734 26.003 28.738 -0.001 0.000 1.324 3187 Q HN 0.513 nan 8.270 nan 0.000 0.885 3188 S N 0.366 116.064 115.700 -0.002 0.000 2.653 3188 S HA 0.545 5.015 4.470 0.000 0.000 0.272 3188 S C -0.213 174.382 174.600 -0.007 0.000 1.221 3188 S CA 0.145 58.342 58.200 -0.005 0.000 1.149 3188 S CB 0.394 63.597 63.200 0.006 0.000 1.029 3188 S HN 0.830 nan 8.310 nan 0.000 0.481 3189 K N 3.350 123.736 120.400 -0.023 0.000 2.087 3189 K HA 0.516 4.836 4.320 0.000 0.000 0.255 3189 K C -0.219 176.352 176.600 -0.049 0.000 0.988 3189 K CA -0.856 55.415 56.287 -0.027 0.000 0.915 3189 K CB 0.918 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 0.680 120.455 119.800 -0.042 0.000 2.185 3190 Q HA 0.394 4.734 4.340 0.000 0.000 0.225 3190 Q C -0.766 175.140 176.000 -0.155 0.000 0.983 3190 Q CA -0.823 54.913 55.803 -0.111 0.000 0.950 3190 Q CB 1.332 30.077 28.738 0.013 0.000 1.176 3190 Q HN 0.446 nan 8.270 nan 0.000 0.510 3191 R N 0.638 120.976 120.500 -0.270 0.000 2.533 3191 R HA 0.419 4.759 4.340 0.000 0.000 0.288 3191 R C -1.763 174.408 176.300 -0.215 0.000 1.039 3191 R CA -0.731 55.253 56.100 -0.193 0.000 0.909 3191 R CB 1.344 31.552 30.300 -0.153 0.000 1.195 3191 R HN 0.351 nan 8.270 nan 0.000 0.438 3192 L N 3.360 124.468 121.223 -0.192 0.000 2.324 3192 L HA 0.410 4.750 4.340 0.000 0.000 0.274 3192 L C -0.964 175.796 176.870 -0.183 0.000 1.012 3192 L CA -0.285 54.426 54.840 -0.215 0.000 0.859 3192 L CB 0.974 42.770 42.059 -0.438 0.000 1.224 3192 L HN 0.419 nan 8.230 nan 0.000 0.429 3193 K N 6.153 126.473 120.400 -0.133 0.000 2.227 3193 K HA 0.552 4.872 4.320 0.000 0.000 0.280 3193 K C -1.174 175.296 176.600 -0.218 0.000 1.041 3193 K CA -0.398 55.810 56.287 -0.130 0.000 0.905 3193 K CB 1.296 33.761 32.500 -0.059 0.000 1.068 3193 K HN 0.546 nan 8.250 nan 0.000 0.470 3194 L N 3.361 124.429 121.223 -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 -0.552 54.008 54.840 -0.467 0.000 0.823 3194 L CB 1.526 43.173 42.059 -0.685 0.000 1.236 3194 L HN 0.527 nan 8.230 nan 0.000 0.415 3195 E N 3.809 123.755 120.200 -0.424 0.000 2.114 3195 E HA 0.392 4.742 4.350 0.000 0.000 0.266 3195 E C -1.092 175.338 176.600 -0.282 0.000 0.896 3195 E CA -0.452 55.813 56.400 -0.225 0.000 0.750 3195 E CB 1.448 31.063 29.700 -0.141 0.000 1.121 3195 E HN 0.261 nan 8.360 nan 0.000 0.413 3196 F N 1.289 121.261 119.950 0.037 0.000 2.370 3196 F HA 0.412 4.939 4.527 0.000 0.000 0.319 3196 F C 1.101 176.925 175.800 0.040 0.000 1.129 3196 F CA -0.739 57.297 58.000 0.061 0.000 1.109 3196 F CB 0.680 39.795 39.000 0.192 0.000 1.262 3196 F HN 0.400 nan 8.300 nan 0.000 0.534 3197 A N 1.618 124.582 122.820 0.240 0.000 2.406 3197 A HA 0.446 4.766 4.320 0.000 0.000 0.243 3197 A C -0.309 177.326 177.584 0.085 0.000 1.082 3197 A CA -0.275 51.864 52.037 0.170 0.000 0.786 3197 A CB -0.063 19.093 19.000 0.259 0.000 1.029 3197 A HN 0.855 nan 8.150 nan 0.000 0.495 3198 N N -0.660 118.161 118.700 0.201 0.000 3.157 3198 N HA 0.237 4.977 4.740 0.000 0.000 0.291 3198 N C -0.070 175.695 175.510 0.424 0.000 1.515 3198 N CA -0.825 52.376 53.050 0.252 0.000 0.807 3198 N CB 0.106 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 -0.187 118.786 118.700 0.455 0.000 2.272 3199 N HA -0.093 4.647 4.740 0.000 0.000 0.185 3199 N C 0.451 176.147 175.510 0.309 0.000 1.014 3199 N CA 0.850 54.181 53.050 0.468 0.000 0.870 3199 N CB -0.495 38.249 38.487 0.429 0.000 0.975 3199 N HN 0.482 nan 8.380 nan 0.000 0.433 3200 N N -0.154 118.674 118.700 0.212 0.000 2.207 3200 N HA -0.072 4.668 4.740 0.000 0.000 0.182 3200 N C 1.886 177.461 175.510 0.107 0.000 1.020 3200 N CA 1.609 54.751 53.050 0.154 0.000 0.858 3200 N CB -0.567 37.995 38.487 0.125 0.000 0.991 3200 N HN 0.460 nan 8.380 nan 0.000 0.427 3201 T N -1.978 112.629 114.554 0.089 0.000 3.009 3201 T HA 0.255 4.605 4.350 0.000 0.000 0.258 3201 T C 1.906 176.587 174.700 -0.032 0.000 1.063 3201 T CA 0.733 62.866 62.100 0.055 0.000 1.139 3201 T CB -0.092 68.829 68.868 0.088 0.000 0.890 3201 T HN 0.101 nan 8.240 nan 0.000 0.471 3202 A N 0.633 123.341 122.820 -0.186 0.000 2.067 3202 A HA 0.414 4.734 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 0.055 51.766 52.037 -0.543 0.000 0.683 3202 A CB -0.482 17.984 19.000 -0.890 0.000 0.808 3202 A HN 0.589 nan 8.150 nan 0.000 0.455 3203 F N -0.499 119.503 119.950 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 57.278 58.000 0.060 0.000 0.948 3203 F CB 1.739 40.755 39.000 0.026 0.000 1.154 3203 F HN 0.073 nan 8.300 nan 0.000 0.439 3204 A N 2.337 125.270 122.820 0.188 0.000 2.304 3204 A HA 0.853 5.173 4.320 0.000 0.000 0.323 3204 A C -0.195 177.445 177.584 0.094 0.000 1.195 3204 A CA -0.605 51.497 52.037 0.109 0.000 0.826 3204 A CB 0.710 19.742 19.000 0.054 0.000 1.184 3204 A HN 0.907 nan 8.150 nan 0.000 0.496 3205 A N 1.656 124.519 122.820 0.072 0.000 2.346 3205 A HA 0.530 4.850 4.320 0.000 0.000 0.252 3205 A C 0.423 178.024 177.584 0.027 0.000 1.089 3205 A CA -0.288 51.776 52.037 0.044 0.000 0.797 3205 A CB -0.023 19.001 19.000 0.040 0.000 1.047 3205 A HN 1.193 nan 8.150 nan 0.000 0.494 3206 V N 1.036 120.956 119.914 0.010 0.000 2.694 3206 V HA 0.374 4.494 4.120 0.000 0.000 0.306 3206 V C 1.693 177.791 176.094 0.007 0.000 1.054 3206 V CA 1.832 64.135 62.300 0.004 0.000 1.161 3206 V CB 0.057 31.876 31.823 -0.007 0.000 0.916 3206 V HN 1.959 nan 8.190 nan 0.000 0.490 3207 G N 3.295 112.099 108.800 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 0.433 175.338 174.900 0.008 0.000 0.988 3207 G CA 0.308 45.410 45.100 0.003 0.000 0.625 3207 G HN 1.506 nan 8.290 nan 0.000 0.527 3208 A N -0.157 122.673 122.820 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 0.151 52.202 52.037 0.023 0.000 0.828 3208 A CB 0.370 19.390 19.000 0.034 0.000 1.091 3208 A HN 0.540 nan 8.150 nan 0.000 0.493 3209 N N 1.187 119.907 118.700 0.033 0.000 2.431 3209 N HA 0.139 4.879 4.740 0.000 0.000 0.265 3209 N C -1.697 173.835 175.510 0.035 0.000 1.184 3209 N CA -1.438 51.646 53.050 0.057 0.000 0.943 3209 N CB 0.984 39.505 38.487 0.058 0.000 1.080 3209 N HN 0.351 nan 8.380 nan 0.000 0.477 3210 P HA -0.024 nan 4.420 nan 0.000 0.255 3210 P C 1.531 178.654 177.300 -0.296 0.000 1.248 3210 P CA -0.116 62.909 63.100 -0.124 0.000 0.807 3210 P CB 0.461 32.062 31.700 -0.164 0.000 1.150 3211 L N 1.424 122.494 121.223 -0.255 0.000 2.010 3211 L HA -0.192 4.148 4.340 0.000 0.000 0.219 3211 L C 1.759 178.440 176.870 -0.315 0.000 1.077 3211 L CA 2.205 56.786 54.840 -0.431 0.000 0.773 3211 L CB -0.883 41.144 42.059 -0.054 0.000 0.892 3211 L HN -0.118 nan 8.230 nan 0.000 0.436 3212 E N -0.204 119.958 120.200 -0.063 0.000 2.474 3212 E HA 0.313 4.663 4.350 0.000 0.000 0.195 3212 E C 0.639 177.266 176.600 0.044 0.000 1.039 3212 E CA 0.584 57.032 56.400 0.081 0.000 0.881 3212 E CB -0.003 29.777 29.700 0.133 0.000 0.970 3212 E HN 0.566 nan 8.360 nan 0.000 0.486 3213 A N 0.682 123.477 122.820 -0.042 0.000 2.271 3213 A HA 0.483 4.803 4.320 0.000 0.000 0.288 3213 A C 1.115 178.654 177.584 -0.074 0.000 1.094 3213 A CA -0.396 51.609 52.037 -0.055 0.000 0.828 3213 A CB 0.485 19.457 19.000 -0.046 0.000 1.091 3213 A HN 0.052 nan 8.150 nan 0.000 0.493 3214 I N -1.343 119.169 120.570 -0.096 0.000 2.810 3214 I HA 0.116 4.286 4.170 0.000 0.000 0.262 3214 I C -0.379 175.540 176.117 -0.330 0.000 1.131 3214 I CA 0.670 61.876 61.300 -0.157 0.000 1.453 3214 I CB 0.007 37.964 38.000 -0.072 0.000 1.161 3214 I HN 0.592 nan 8.210 nan 0.000 0.444 3215 Y N 0.356 120.677 120.300 0.035 0.000 2.512 3215 Y HA 0.553 5.103 4.550 0.000 0.000 0.348 3215 Y C -0.277 175.685 175.900 0.103 0.000 0.990 3215 Y CA -0.736 57.426 58.100 0.103 0.000 1.033 3215 Y CB 1.789 40.372 38.460 0.206 0.000 1.259 3215 Y HN -0.069 nan 8.280 nan 0.000 0.461 3216 Q N 1.559 121.482 119.800 0.205 0.000 2.359 3216 Q HA 0.768 5.108 4.340 0.000 0.000 0.274 3216 Q C -1.019 175.035 176.000 0.091 0.000 1.074 3216 Q CA -0.656 55.219 55.803 0.119 0.000 0.810 3216 Q CB 2.587 31.349 28.738 0.042 0.000 1.342 3216 Q HN 0.964 nan 8.270 nan 0.000 0.427 3217 G N 0.448 109.277 108.800 0.048 0.000 2.321 3217 G HA2 0.376 4.336 3.960 0.000 0.000 0.298 3217 G HA3 0.376 4.336 3.960 0.000 0.000 0.298 3217 G C -0.366 174.499 174.900 -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 -0.844 121.910 122.820 -0.111 0.000 2.178 3218 A HA 0.351 4.671 4.320 0.000 0.000 0.218 3218 A C 2.159 179.503 177.584 -0.399 0.000 1.157 3218 A CA 2.533 54.457 52.037 -0.189 0.000 0.689 3218 A CB -0.363 18.531 19.000 -0.176 0.000 0.787 3218 A HN 1.923 nan 8.150 nan 0.000 0.465 3219 G N -1.731 106.845 108.800 -0.373 0.000 3.126 3219 G HA2 0.334 4.294 3.960 0.000 0.000 0.224 3219 G HA3 0.334 4.294 3.960 0.000 0.000 0.224 3219 G C 1.318 176.117 174.900 -0.168 0.000 1.142 3219 G CA 0.844 45.670 45.100 -0.456 0.000 0.759 3219 G HN 0.585 nan 8.290 nan 0.000 0.550 3220 A N 1.596 124.354 122.820 -0.104 0.000 1.903 3220 A HA 0.041 4.361 4.320 0.000 0.000 0.219 3220 A C 2.778 180.347 177.584 -0.027 0.000 1.191 3220 A CA 2.411 54.429 52.037 -0.033 0.000 0.638 3220 A CB -0.828 18.216 19.000 0.073 0.000 0.823 3220 A HN 0.857 nan 8.150 nan 0.000 0.451 3221 A N -0.817 122.020 122.820 0.029 0.000 2.032 3221 A HA -0.175 4.145 4.320 0.000 0.000 0.221 3221 A C 1.417 179.008 177.584 0.012 0.000 1.165 3221 A CA 1.820 53.887 52.037 0.050 0.000 0.645 3221 A CB -0.373 18.673 19.000 0.077 0.000 0.807 3221 A HN 0.504 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 -0.422 175.763 176.300 -0.192 0.000 1.133 3222 D CA -0.019 53.948 54.000 -0.055 0.000 0.831 3222 D CB -0.095 40.703 40.800 -0.003 0.000 0.962 3222 D HN 0.284 nan 8.370 nan 0.000 0.502 3223 C N 1.162 120.228 119.300 -0.390 0.000 2.401 3223 C HA 0.459 4.919 4.460 0.000 0.000 0.365 3223 C C 0.600 175.161 174.990 -0.715 0.000 1.250 3223 C CA -0.472 58.066 59.018 -0.800 0.000 2.131 3223 C CB 0.785 27.550 27.740 -1.625 0.000 2.445 3223 C HN 0.205 nan 8.230 nan 0.000 0.550 3224 E N 0.666 120.568 120.200 -0.497 0.000 2.343 3224 E HA 0.361 4.711 4.350 0.000 0.000 0.278 3224 E C -1.375 175.244 176.600 0.033 0.000 0.910 3224 E CA -0.484 55.870 56.400 -0.076 0.000 0.757 3224 E CB 1.564 31.266 29.700 0.003 0.000 1.218 3224 E HN 0.487 nan 8.360 nan 0.000 0.435 3225 F N 1.761 121.862 119.950 0.250 0.000 2.459 3225 F HA 0.055 4.582 4.527 0.000 0.000 0.346 3225 F C 1.810 177.648 175.800 0.063 0.000 1.128 3225 F CA 0.354 58.457 58.000 0.172 0.000 1.268 3225 F CB 0.770 39.854 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 -0.212 176.423 176.600 0.058 0.000 0.957 3226 E CA 0.577 57.038 56.400 0.102 0.000 0.858 3226 E CB 0.356 30.086 29.700 0.050 0.000 0.816 3226 E HN 0.803 nan 8.360 nan 0.000 0.475 3227 E N -0.506 119.720 120.200 0.043 0.000 2.403 3227 E HA 0.505 4.856 4.350 0.000 0.000 0.280 3227 E C -1.136 175.304 176.600 -0.267 0.000 1.101 3227 E CA -0.523 55.787 56.400 -0.150 0.000 0.856 3227 E CB 0.958 30.570 29.700 -0.147 0.000 1.303 3227 E HN -0.134 nan 8.360 nan 0.000 0.441 3228 I N 0.934 121.093 120.570 -0.684 0.000 2.686 3228 I HA 0.547 4.717 4.170 0.000 0.000 0.295 3228 I C -0.979 174.605 176.117 -0.889 0.000 1.114 3228 I CA -0.938 59.885 61.300 -0.795 0.000 1.038 3228 I CB 2.287 39.581 38.000 -1.176 0.000 1.238 3228 I HN 0.562 nan 8.210 nan 0.000 0.420 3229 S N 4.074 119.484 115.700 -0.484 0.000 2.549 3229 S HA 0.776 5.246 4.470 0.000 0.000 0.280 3229 S C -1.581 172.921 174.600 -0.163 0.000 1.109 3229 S CA -0.433 57.555 58.200 -0.352 0.000 0.905 3229 S CB 1.389 64.449 63.200 -0.234 0.000 1.081 3229 S HN 0.472 nan 8.310 nan 0.000 0.477 3230 Y N -0.040 120.173 120.300 -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 -0.882 57.198 58.100 -0.034 0.000 1.032 3230 Y CB 1.411 39.934 38.460 0.105 0.000 1.284 3230 Y HN 0.421 nan 8.280 nan 0.000 0.466 3231 T N 2.960 117.649 114.554 0.225 0.000 3.011 3231 T HA 0.503 4.853 4.350 0.000 0.000 0.303 3231 T C -1.433 173.363 174.700 0.160 0.000 0.997 3231 T CA -0.638 61.509 62.100 0.078 0.000 1.007 3231 T CB 1.365 70.220 68.868 -0.022 0.000 1.017 3231 T HN 0.625 nan 8.240 nan 0.000 0.443 3232 V N 4.224 124.210 119.914 0.121 0.000 2.394 3232 V HA 0.475 4.595 4.120 0.000 0.000 0.282 3232 V C -1.077 175.047 176.094 0.051 0.000 1.031 3232 V CA -0.727 61.669 62.300 0.159 0.000 0.881 3232 V CB 0.749 32.657 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 0.298 176.395 175.900 0.328 0.000 0.992 3233 Y CA -0.346 57.928 58.100 0.289 0.000 1.100 3233 Y CB 1.721 40.343 38.460 0.271 0.000 1.192 3233 Y HN 0.553 nan 8.280 nan 0.000 0.458 3234 Q N 2.121 122.184 119.800 0.439 0.000 2.290 3234 Q HA 0.434 4.774 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 -0.557 55.415 55.803 0.281 0.000 0.912 3234 Q CB 1.341 30.286 28.738 0.345 0.000 1.244 3234 Q HN 0.657 nan 8.270 nan 0.000 0.441 3235 S N 4.253 119.996 115.700 0.072 0.000 2.429 3235 S HA 0.618 5.088 4.470 0.000 0.000 0.302 3235 S C -1.376 173.282 174.600 0.097 0.000 1.115 3235 S CA -0.360 57.905 58.200 0.109 0.000 1.095 3235 S CB 0.202 63.577 63.200 0.293 0.000 0.987 3235 S HN 0.564 nan 8.310 nan 0.000 0.474 3236 Y N 2.133 122.420 120.300 -0.022 0.000 2.744 3236 Y HA 0.723 5.273 4.550 0.000 0.000 0.330 3236 Y C -1.846 174.040 175.900 -0.024 0.000 1.263 3236 Y CA -1.568 56.508 58.100 -0.040 0.000 1.065 3236 Y CB 0.870 39.308 38.460 -0.037 0.000 1.306 3236 Y HN 0.394 nan 8.280 nan 0.000 0.459 3237 L N 2.315 123.635 121.223 0.163 0.000 2.313 3237 L HA 0.481 4.821 4.340 0.000 0.000 0.283 3237 L C -1.011 175.969 176.870 0.183 0.000 1.013 3237 L CA -0.570 54.304 54.840 0.057 0.000 0.816 3237 L CB 1.480 43.547 42.059 0.014 0.000 1.236 3237 L HN 0.668 nan 8.230 nan 0.000 0.419 3238 D N 1.335 121.823 120.400 0.145 0.000 2.442 3238 D HA 0.270 4.910 4.640 0.000 0.000 0.254 3238 D C -0.414 175.945 176.300 0.098 0.000 1.069 3238 D CA -0.055 54.057 54.000 0.187 0.000 1.017 3238 D CB 1.264 42.215 40.800 0.252 0.000 1.172 3238 D HN 0.427 nan 8.370 nan 0.000 0.561 3239 Q N 0.006 119.852 119.800 0.077 0.000 2.460 3239 Q HA -0.185 4.155 4.340 0.000 0.000 0.311 3239 Q C -0.509 175.497 176.000 0.010 0.000 1.396 3239 Q CA 0.117 55.952 55.803 0.054 0.000 0.838 3239 Q CB -1.368 27.413 28.738 0.071 0.000 1.140 3239 Q HN 0.408 nan 8.270 nan 0.000 0.415 3240 L N 2.137 123.308 121.223 -0.087 0.000 2.499 3240 L HA 0.168 4.508 4.340 0.000 0.000 0.273 3240 L C -1.146 175.689 176.870 -0.059 0.000 1.195 3240 L CA -1.353 53.376 54.840 -0.185 0.000 0.882 3240 L CB -0.290 41.429 42.059 -0.566 0.000 1.133 3240 L HN 0.079 nan 8.230 nan 0.000 0.483 3241 P HA 0.072 nan 4.420 nan 0.000 0.268 3241 P C -0.765 176.634 177.300 0.166 0.000 1.204 3241 P CA -0.098 63.046 63.100 0.073 0.000 0.768 3241 P CB 1.182 32.911 31.700 0.048 0.000 0.842 3242 V N 2.896 122.915 119.914 0.175 0.000 2.513 3242 V HA 0.726 4.846 4.120 0.000 0.000 0.299 3242 V C 0.914 177.067 176.094 0.097 0.000 1.035 3242 V CA -0.035 62.378 62.300 0.188 0.000 0.889 3242 V CB 1.597 33.515 31.823 0.159 0.000 0.988 3242 V HN 0.909 nan 8.190 nan 0.000 0.440 3243 G N 2.147 110.992 108.800 0.076 0.000 3.247 3243 G HA2 0.584 4.544 3.960 0.000 0.000 0.199 3243 G HA3 0.584 4.544 3.960 0.000 0.000 0.199 3243 G C -0.263 174.652 174.900 0.026 0.000 1.172 3243 G CA 0.236 45.364 45.100 0.046 0.000 0.844 3243 G HN 0.789 nan 8.290 nan 0.000 0.619 3244 Q N -1.366 118.445 119.800 0.020 0.000 2.844 3244 Q HA 0.529 4.869 4.340 0.000 0.000 0.235 3244 Q C 0.365 176.369 176.000 0.007 0.000 1.336 3244 Q CA 0.756 56.565 55.803 0.010 0.000 1.026 3244 Q CB -1.223 27.521 28.738 0.009 0.000 1.513 3244 Q HN 2.264 nan 8.270 nan 0.000 0.577 3245 N N -1.259 117.441 118.700 -0.000 0.000 3.400 3245 N HA 0.440 5.180 4.740 0.000 0.000 0.134 3245 N C 1.237 176.736 175.510 -0.018 0.000 1.073 3245 N CA 0.860 53.907 53.050 -0.005 0.000 2.788 3245 N CB -1.293 37.198 38.487 0.007 0.000 1.172 3245 N HN 2.131 nan 8.380 nan 0.000 0.820 3246 G N -0.539 108.240 108.800 -0.034 0.000 2.484 3246 G HA2 -0.045 3.915 3.960 0.000 0.000 0.225 3246 G HA3 -0.045 3.915 3.960 0.000 0.000 0.225 3246 G C -0.227 174.680 174.900 0.010 0.000 1.250 3246 G CA -0.232 44.810 45.100 -0.097 0.000 0.926 3246 G HN 1.251 nan 8.290 nan 0.000 0.581 3247 Y N 0.349 120.660 120.300 0.017 0.000 2.712 3247 Y HA 0.302 4.852 4.550 0.000 0.000 0.333 3247 Y C 1.516 177.427 175.900 0.017 0.000 1.225 3247 Y CA -0.204 57.908 58.100 0.020 0.000 1.499 3247 Y CB 0.311 38.785 38.460 0.023 0.000 1.288 3247 Y HN 0.333 nan 8.280 nan 0.000 0.575 3248 I N 6.137 126.825 120.570 0.196 0.000 2.308 3248 I HA 0.128 4.298 4.170 0.000 0.000 0.293 3248 I C -0.608 175.555 176.117 0.076 0.000 1.078 3248 I CA 0.250 61.611 61.300 0.102 0.000 1.292 3248 I CB 0.002 38.045 38.000 0.071 0.000 1.423 3248 I HN 0.341 nan 8.210 nan 0.000 0.493 3249 L N 8.693 129.957 121.223 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 -1.902 52.965 54.840 0.045 0.000 0.820 3249 L CB 2.349 44.448 42.059 0.067 0.000 1.303 3249 L HN 0.341 nan 8.230 nan 0.000 0.411 3250 P HA 0.151 nan 4.420 nan 0.000 0.273 3250 P C 0.701 177.999 177.300 -0.004 0.000 1.428 3250 P CA -0.211 62.887 63.100 -0.003 0.000 0.995 3250 P CB 0.672 32.363 31.700 -0.015 0.000 1.286 3251 L N 2.771 123.995 121.223 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 1.422 56.263 54.840 0.002 0.000 0.752 3251 L CB -0.552 41.511 42.059 0.007 0.000 0.896 3251 L HN 0.270 nan 8.230 nan 0.000 0.433 3252 I N -0.475 120.076 120.570 -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 1.024 62.290 61.300 -0.057 0.000 1.380 3252 I CB -0.430 37.527 38.000 -0.073 0.000 1.067 3252 I HN 0.207 nan 8.210 nan 0.000 0.413 3253 D N 1.309 121.662 120.400 -0.079 0.000 2.106 3253 D HA -0.178 4.462 4.640 0.000 0.000 0.191 3253 D C 2.166 178.437 176.300 -0.048 0.000 0.997 3253 D CA 1.478 55.424 54.000 -0.091 0.000 0.834 3253 D CB -0.395 40.369 40.800 -0.060 0.000 0.956 3253 D HN 0.270 nan 8.370 nan 0.000 0.448 3254 L N 0.308 121.524 121.223 -0.012 0.000 2.551 3254 L HA -0.014 4.326 4.340 0.000 0.000 0.228 3254 L C 1.527 178.418 176.870 0.035 0.000 1.153 3254 L CA 0.716 55.571 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 2.663 3255 S HA 0.179 4.649 4.470 0.000 0.000 0.243 3255 S C 0.504 175.094 174.600 -0.017 0.000 1.009 3255 S CA -0.559 57.646 58.200 0.007 0.000 0.988 3255 S CB 0.178 63.380 63.200 0.004 0.000 0.896 3255 S HN 0.086 nan 8.310 nan 0.000 0.502 3256 T N 2.827 117.357 114.554 -0.040 0.000 2.855 3256 T HA 0.598 4.948 4.350 0.000 0.000 0.281 3256 T C -0.567 174.111 174.700 -0.036 0.000 1.007 3256 T CA -0.593 61.463 62.100 -0.074 0.000 1.009 3256 T CB 1.325 70.076 68.868 -0.195 0.000 0.983 3256 T HN 0.254 nan 8.240 nan 0.000 0.455 3257 L N 3.032 124.233 121.223 -0.037 0.000 2.295 3257 L HA 0.489 4.829 4.340 0.000 0.000 0.285 3257 L C -0.996 175.943 176.870 0.115 0.000 1.035 3257 L CA -1.124 53.671 54.840 -0.075 0.000 0.806 3257 L CB 0.826 42.731 42.059 -0.256 0.000 1.214 3257 L HN 0.625 nan 8.230 nan 0.000 0.426 3258 Y N 4.255 124.592 120.300 0.062 0.000 2.402 3258 Y HA 0.484 5.034 4.550 0.000 0.000 0.332 3258 Y C -0.878 174.966 175.900 -0.092 0.000 0.960 3258 Y CA -1.155 57.041 58.100 0.160 0.000 1.228 3258 Y CB 0.621 39.308 38.460 0.379 0.000 1.120 3258 Y HN 0.529 nan 8.280 nan 0.000 0.491 3259 N N 5.060 123.324 118.700 -0.726 0.000 2.312 3259 N HA 0.553 5.293 4.740 0.000 0.000 0.296 3259 N C -1.895 173.107 175.510 -0.847 0.000 1.193 3259 N CA -0.627 51.925 53.050 -0.830 0.000 0.773 3259 N CB 2.306 40.302 38.487 -0.817 0.000 1.435 3259 N HN 0.486 nan 8.380 nan 0.000 0.484 3260 L N 0.729 121.655 121.223 -0.495 0.000 2.346 3260 L HA 0.521 4.861 4.340 0.000 0.000 0.276 3260 L C 0.023 176.879 176.870 -0.023 0.000 1.006 3260 L CA -0.213 54.507 54.840 -0.200 0.000 0.817 3260 L CB 1.449 43.354 42.059 -0.256 0.000 1.272 3260 L HN 0.478 nan 8.230 nan 0.000 0.421 3261 E N 2.077 122.402 120.200 0.207 0.000 2.412 3261 E HA 0.476 4.826 4.350 0.000 0.000 0.279 3261 E C -1.537 175.154 176.600 0.152 0.000 0.984 3261 E CA -0.916 55.601 56.400 0.195 0.000 0.788 3261 E CB 2.972 32.854 29.700 0.303 0.000 1.277 3261 E HN 0.644 nan 8.360 nan 0.000 0.455 3262 N N -0.134 118.592 118.700 0.043 0.000 2.455 3262 N HA 0.533 5.273 4.740 0.000 0.000 0.278 3262 N C -1.268 174.271 175.510 0.049 0.000 1.291 3262 N CA -0.576 52.431 53.050 -0.073 0.000 0.780 3262 N CB 2.113 40.433 38.487 -0.278 0.000 1.520 3262 N HN 0.490 nan 8.380 nan 0.000 0.486 3263 S N -1.256 114.482 115.700 0.064 0.000 2.656 3263 S HA 0.862 5.332 4.470 0.000 0.000 0.273 3263 S C -1.496 173.175 174.600 0.117 0.000 1.168 3263 S CA -0.959 57.307 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 0.950 123.844 122.820 0.124 0.000 2.355 3264 A HA 0.809 5.129 4.320 0.000 0.000 0.317 3264 A C -1.024 176.639 177.584 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 0.389 120.285 119.800 0.161 0.000 2.353 3265 Q HA 0.735 5.075 4.340 0.000 0.000 0.268 3265 Q C -0.554 175.594 176.000 0.248 0.000 1.045 3265 Q CA -0.438 55.505 55.803 0.233 0.000 0.811 3265 Q CB 2.217 31.144 28.738 0.315 0.000 1.305 3265 Q HN 0.977 nan 8.270 nan 0.000 0.447 3266 A N -0.277 122.698 122.820 0.259 0.000 2.435 3266 A HA 0.911 5.231 4.320 0.000 0.000 0.296 3266 A C 0.307 178.036 177.584 0.241 0.000 1.147 3266 A CA -0.168 51.941 52.037 0.120 0.000 0.775 3266 A CB 1.541 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 -0.859 107.975 108.800 0.057 0.000 2.157 3267 G HA2 0.023 3.983 3.960 0.000 0.000 0.118 3267 G HA3 0.023 3.983 3.960 0.000 0.000 0.118 3267 G C -0.459 174.484 174.900 0.073 0.000 1.032 3267 G CA -0.126 45.078 45.100 0.174 0.000 0.697 3267 G HN 0.742 nan 8.290 nan 0.000 0.495 3268 L N 1.976 123.001 121.223 -0.329 0.000 2.349 3268 L HA 0.734 5.074 4.340 0.000 0.000 0.275 3268 L C 0.901 177.689 176.870 -0.137 0.000 1.115 3268 L CA 0.467 55.073 54.840 -0.390 0.000 0.820 3268 L CB 1.614 43.286 42.059 -0.645 0.000 1.135 3268 L HN 0.404 nan 8.230 nan 0.000 0.445 3269 T N 0.380 114.887 114.554 -0.078 0.000 2.933 3269 T HA 0.537 4.887 4.350 0.000 0.000 0.305 3269 T C -2.831 171.838 174.700 -0.052 0.000 1.092 3269 T CA -2.338 59.736 62.100 -0.043 0.000 1.008 3269 T CB 1.803 70.665 68.868 -0.010 0.000 1.102 3269 T HN 0.140 nan 8.240 nan 0.000 0.469 3270 P HA 0.126 nan 4.420 nan 0.000 0.261 3270 P C 0.217 177.486 177.300 -0.051 0.000 1.173 3270 P CA 0.739 63.811 63.100 -0.046 0.000 0.760 3270 P CB -0.173 31.509 31.700 -0.029 0.000 0.783 3271 N N -1.126 117.529 118.700 -0.076 0.000 2.778 3271 N HA -0.154 4.586 4.740 0.000 0.000 0.249 3271 N C -0.685 174.787 175.510 -0.063 0.000 1.069 3271 N CA 0.295 53.301 53.050 -0.074 0.000 0.831 3271 N CB -1.406 37.060 38.487 -0.035 0.000 1.142 3271 N HN 0.131 nan 8.380 nan 0.000 0.573 3272 V N 0.637 120.511 119.914 -0.066 0.000 2.513 3272 V HA 0.259 4.379 4.120 0.000 0.000 0.299 3272 V C 0.017 176.082 176.094 -0.047 0.000 1.035 3272 V CA -0.712 61.568 62.300 -0.034 0.000 0.889 3272 V CB 1.796 33.617 31.823 -0.004 0.000 0.988 3272 V HN 0.016 nan 8.190 nan 0.000 0.440 3273 D N 3.244 123.629 120.400 -0.024 0.000 2.382 3273 D HA 0.143 4.783 4.640 0.000 0.000 0.259 3273 D C -0.550 175.765 176.300 0.027 0.000 1.224 3273 D CA 0.410 54.395 54.000 -0.024 0.000 0.894 3273 D CB 0.420 41.230 40.800 0.017 0.000 1.127 3273 D HN 0.349 nan 8.370 nan 0.000 0.487 3274 F N 3.665 123.525 119.950 -0.151 0.000 2.391 3274 F HA 0.306 4.833 4.527 0.000 0.000 0.359 3274 F C -0.624 175.118 175.800 -0.096 0.000 1.122 3274 F CA -0.747 57.178 58.000 -0.126 0.000 1.120 3274 F CB 0.728 39.623 39.000 -0.174 0.000 1.142 3274 F HN -0.004 nan 8.300 nan 0.000 0.483 3275 V N 7.065 126.721 119.914 -0.429 0.000 2.384 3275 V HA 0.363 4.483 4.120 0.000 0.000 0.287 3275 V C -0.579 175.272 176.094 -0.404 0.000 1.020 3275 V CA -0.876 61.243 62.300 -0.301 0.000 0.850 3275 V CB 1.452 33.168 31.823 -0.178 0.000 0.987 3275 V HN 0.483 nan 8.190 nan 0.000 0.436 3276 V N 5.307 125.081 119.914 -0.232 0.000 2.311 3276 V HA 0.308 4.428 4.120 0.000 0.000 0.275 3276 V C 0.196 176.172 176.094 -0.197 0.000 1.022 3276 V CA -0.699 61.476 62.300 -0.208 0.000 0.830 3276 V CB 1.101 32.873 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 -0.680 175.181 176.000 -0.232 0.000 0.999 3277 Q CA 0.116 55.837 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 -0.031 120.164 120.300 -0.174 0.000 2.402 3278 Y HA 0.130 4.680 4.550 0.000 0.000 0.333 3278 Y C 0.935 176.705 175.900 -0.217 0.000 1.076 3278 Y CA -0.234 57.635 58.100 -0.385 0.000 1.299 3278 Y CB 0.777 38.932 38.460 -0.509 0.000 1.197 3278 Y HN 0.672 nan 8.280 nan 0.000 0.517 3279 A N 3.830 126.602 122.820 -0.080 0.000 2.900 3279 A HA 0.228 4.548 4.320 0.000 0.000 0.246 3279 A C 1.130 178.618 177.584 -0.159 0.000 1.725 3279 A CA 0.545 52.517 52.037 -0.108 0.000 1.400 3279 A CB -2.168 16.720 19.000 -0.187 0.000 0.973 3279 A HN 1.123 nan 8.150 nan 0.000 0.635 3280 N N -1.008 117.677 118.700 -0.024 0.000 3.699 3280 N HA -0.059 4.681 4.740 0.000 0.000 0.355 3280 N C 0.851 176.271 175.510 -0.150 0.000 1.094 3280 N CA 1.118 54.136 53.050 -0.054 0.000 2.627 3280 N CB -0.568 37.861 38.487 -0.098 0.000 0.583 3280 N HN 1.384 nan 8.380 nan 0.000 0.831 3281 L N -2.827 118.361 121.223 -0.058 0.000 3.898 3281 L HA -0.210 4.130 4.340 0.000 0.000 0.382 3281 L C 0.874 177.944 176.870 0.332 0.000 0.711 3281 L CA 2.133 57.023 54.840 0.083 0.000 2.828 3281 L CB -2.114 39.932 42.059 -0.022 0.000 0.852 3281 L HN 0.915 nan 8.230 nan 0.000 0.694 3282 Y N 0.094 120.400 120.300 0.009 0.000 2.326 3282 Y HA 0.359 4.910 4.550 0.000 0.000 0.333 3282 Y C 1.018 176.895 175.900 -0.040 0.000 1.240 3282 Y CA -0.804 57.148 58.100 -0.245 0.000 1.365 3282 Y CB 0.422 38.237 38.460 -1.074 0.000 1.289 3282 Y HN -0.030 nan 8.280 nan 0.000 0.548 3283 R N 2.488 123.059 120.500 0.117 0.000 2.278 3283 R HA 0.212 4.552 4.340 0.000 0.000 0.322 3283 R C -1.804 174.553 176.300 0.094 0.000 1.058 3283 R CA -0.496 55.676 56.100 0.121 0.000 0.991 3283 R CB 0.118 30.426 30.300 0.014 0.000 1.140 3283 R HN 0.482 nan 8.270 nan 0.000 0.518 3284 Y N 3.269 123.688 120.300 0.198 0.000 2.531 3284 Y HA 0.024 4.574 4.550 0.000 0.000 0.347 3284 Y C 1.325 177.301 175.900 0.127 0.000 1.024 3284 Y CA -0.229 58.004 58.100 0.221 0.000 1.306 3284 Y CB 0.468 39.073 38.460 0.242 0.000 1.149 3284 Y HN 0.483 nan 8.280 nan 0.000 0.527 3285 L N 1.903 123.251 121.223 0.207 0.000 2.162 3285 L HA 0.012 4.352 4.340 0.000 0.000 0.205 3285 L C 0.799 177.788 176.870 0.199 0.000 1.086 3285 L CA 0.681 55.583 54.840 0.102 0.000 0.778 3285 L CB -0.133 41.895 42.059 -0.052 0.000 0.928 3285 L HN 0.624 nan 8.230 nan 0.000 0.446 3286 S N -2.049 113.834 115.700 0.304 0.000 2.570 3286 S HA 0.596 5.066 4.470 0.000 0.000 0.270 3286 S C -0.627 174.188 174.600 0.357 0.000 1.149 3286 S CA -0.700 57.656 58.200 0.259 0.000 0.837 3286 S CB 2.343 65.740 63.200 0.327 0.000 1.124 3286 S HN -0.074 nan 8.310 nan 0.000 0.465 3287 T N 1.989 116.669 114.554 0.210 0.000 2.921 3287 T HA 0.595 4.945 4.350 0.000 0.000 0.297 3287 T C -0.929 173.764 174.700 -0.011 0.000 1.013 3287 T CA -0.420 61.755 62.100 0.125 0.000 0.990 3287 T CB 0.868 69.838 68.868 0.170 0.000 1.023 3287 T HN 0.660 nan 8.240 nan 0.000 0.447 3288 I N 2.333 122.838 120.570 -0.108 0.000 2.465 3288 I HA 0.701 4.871 4.170 0.000 0.000 0.291 3288 I C -0.278 175.709 176.117 -0.217 0.000 1.014 3288 I CA -1.007 60.266 61.300 -0.045 0.000 1.093 3288 I CB 1.719 39.790 38.000 0.118 0.000 1.267 3288 I HN 0.717 nan 8.210 nan 0.000 0.431 3289 A N 6.499 129.233 122.820 -0.144 0.000 2.335 3289 A HA 0.736 5.056 4.320 0.000 0.000 0.304 3289 A C -1.003 176.657 177.584 0.127 0.000 1.118 3289 A CA -0.471 51.497 52.037 -0.116 0.000 0.757 3289 A CB 1.288 20.139 19.000 -0.249 0.000 1.188 3289 A HN 0.405 nan 8.150 nan 0.000 0.460 3290 V N 3.446 123.449 119.914 0.149 0.000 2.347 3290 V HA 0.292 4.412 4.120 0.000 0.000 0.280 3290 V C -0.617 175.652 176.094 0.292 0.000 1.021 3290 V CA -0.399 62.030 62.300 0.215 0.000 0.847 3290 V CB 1.126 33.032 31.823 0.138 0.000 0.990 3290 V HN 0.779 nan 8.190 nan 0.000 0.444 3291 F N 5.328 125.359 119.950 0.136 0.000 2.515 3291 F HA 0.354 4.881 4.527 0.000 0.000 0.353 3291 F C 0.470 176.138 175.800 -0.220 0.000 1.213 3291 F CA -1.752 56.247 58.000 -0.001 0.000 1.194 3291 F CB 0.130 39.162 39.000 0.054 0.000 1.488 3291 F HN 0.605 nan 8.300 nan 0.000 0.619 3292 D N 4.161 124.531 120.400 -0.050 0.000 2.435 3292 D HA -0.025 4.615 4.640 0.000 0.000 0.230 3292 D C -0.097 175.880 176.300 -0.538 0.000 1.215 3292 D CA 0.056 53.697 54.000 -0.598 0.000 0.947 3292 D CB -0.310 40.373 40.800 -0.195 0.000 1.048 3292 D HN 0.253 nan 8.370 nan 0.000 0.512 3293 N N 2.829 120.974 118.700 -0.924 0.000 3.050 3293 N HA 0.205 4.945 4.740 0.000 0.000 0.289 3293 N C 0.789 176.013 175.510 -0.478 0.000 1.209 3293 N CA 0.456 53.022 53.050 -0.806 0.000 1.154 3293 N CB -0.442 37.355 38.487 -1.149 0.000 1.444 3293 N HN 0.613 nan 8.380 nan 0.000 0.529 3294 G N 0.923 109.535 108.800 -0.313 0.000 2.273 3294 G HA2 -0.215 3.745 3.960 0.000 0.000 0.280 3294 G HA3 -0.215 3.745 3.960 0.000 0.000 0.280 3294 G C 0.956 175.733 174.900 -0.204 0.000 1.047 3294 G CA 0.524 45.502 45.100 -0.202 0.000 0.869 3294 G HN 1.121 nan 8.290 nan 0.000 0.502 3295 G N -2.402 106.231 108.800 -0.278 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 0.431 175.216 174.900 -0.192 0.000 0.984 3295 G CA 0.655 45.665 45.100 -0.150 0.000 0.633 3295 G HN 1.727 nan 8.290 nan 0.000 0.525 3296 S N 0.144 115.600 115.700 -0.407 0.000 2.489 3296 S HA 0.764 5.234 4.470 0.000 0.000 0.291 3296 S C -0.816 173.402 174.600 -0.638 0.000 1.151 3296 S CA -0.325 57.680 58.200 -0.325 0.000 1.082 3296 S CB 0.869 63.907 63.200 -0.270 0.000 1.019 3296 S HN 0.304 nan 8.310 nan 0.000 0.492 3297 F N 2.979 122.820 119.950 -0.181 0.000 2.445 3297 F HA 0.437 4.964 4.527 0.000 0.000 0.348 3297 F C 0.460 176.193 175.800 -0.111 0.000 1.125 3297 F CA -0.860 57.042 58.000 -0.164 0.000 0.983 3297 F CB 1.133 40.039 39.000 -0.156 0.000 1.198 3297 F HN 0.385 nan 8.300 nan 0.000 0.436 3298 N N 1.461 120.153 118.700 -0.015 0.000 2.417 3298 N HA 0.490 5.230 4.740 0.000 0.000 0.300 3298 N C -0.425 175.146 175.510 0.103 0.000 1.102 3298 N CA -0.677 52.386 53.050 0.020 0.000 0.886 3298 N CB 2.217 40.678 38.487 -0.045 0.000 1.203 3298 N HN 0.568 nan 8.380 nan 0.000 0.496 3299 A N 0.666 123.545 122.820 0.099 0.000 3.063 3299 A HA 0.456 4.776 4.320 0.000 0.000 0.263 3299 A C 1.360 179.051 177.584 0.180 0.000 1.736 3299 A CA 0.329 52.445 52.037 0.132 0.000 1.408 3299 A CB -1.425 17.633 19.000 0.097 0.000 1.108 3299 A HN 0.911 nan 8.150 nan 0.000 0.621 3300 G N 1.090 110.058 108.800 0.280 0.000 2.302 3300 G HA2 -0.423 3.537 3.960 0.000 0.000 0.263 3300 G HA3 -0.423 3.537 3.960 0.000 0.000 0.263 3300 G C 1.359 176.338 174.900 0.133 0.000 0.995 3300 G CA 1.566 46.820 45.100 0.256 0.000 0.622 3300 G HN 1.577 nan 8.290 nan 0.000 0.538 3301 T N -0.689 113.925 114.554 0.100 0.000 3.025 3301 T HA 0.041 4.391 4.350 0.000 0.000 0.270 3301 T C 1.485 176.209 174.700 0.040 0.000 1.126 3301 T CA 1.874 64.009 62.100 0.057 0.000 1.105 3301 T CB -0.233 68.658 68.868 0.039 0.000 0.884 3301 T HN 0.622 nan 8.240 nan 0.000 0.522 3302 D N 0.308 120.742 120.400 0.056 0.000 2.368 3302 D HA 0.251 4.891 4.640 0.000 0.000 0.218 3302 D C 0.171 176.545 176.300 0.123 0.000 1.112 3302 D CA -0.498 53.541 54.000 0.065 0.000 0.834 3302 D CB -0.283 40.514 40.800 -0.003 0.000 0.953 3302 D HN 0.482 nan 8.370 nan 0.000 0.505 3303 I N 0.471 121.070 120.570 0.050 0.000 2.545 3303 I HA 0.223 4.393 4.170 0.000 0.000 0.292 3303 I C 0.601 176.660 176.117 -0.097 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 3.821 122.412 118.700 -0.182 0.000 2.220 3304 N HA 0.012 4.752 4.740 0.000 0.000 0.182 3304 N C -0.577 174.923 175.510 -0.018 0.000 1.023 3304 N CA 1.347 54.329 53.050 -0.115 0.000 0.856 3304 N CB 0.281 38.652 38.487 -0.193 0.000 0.997 3304 N HN 0.626 nan 8.380 nan 0.000 0.429 3305 Y N -1.860 118.362 120.300 -0.129 0.000 2.713 3305 Y HA 0.641 5.191 4.550 0.000 0.000 0.335 3305 Y C -1.774 173.955 175.900 -0.285 0.000 1.222 3305 Y CA -1.463 56.545 58.100 -0.153 0.000 1.061 3305 Y CB 0.482 38.891 38.460 -0.085 0.000 1.314 3305 Y HN -0.281 nan 8.280 nan 0.000 0.453 3306 L N 1.604 122.778 121.223 -0.081 0.000 2.333 3306 L HA 0.927 5.267 4.340 0.000 0.000 0.263 3306 L C -0.140 176.612 176.870 -0.196 0.000 1.014 3306 L CA -0.545 54.008 54.840 -0.478 0.000 0.820 3306 L CB 2.217 43.497 42.059 -1.299 0.000 1.352 3306 L HN 0.897 nan 8.230 nan 0.000 0.421 3307 S N -0.159 115.325 115.700 -0.360 0.000 2.636 3307 S HA 0.547 5.017 4.470 0.000 0.000 0.266 3307 S C -2.095 172.389 174.600 -0.194 0.000 1.147 3307 S CA -0.635 57.533 58.200 -0.054 0.000 0.815 3307 S CB 1.532 64.724 63.200 -0.014 0.000 1.119 3307 S HN 0.576 nan 8.310 nan 0.000 0.470 3308 Q N 1.243 121.040 119.800 -0.004 0.000 2.330 3308 Q HA 0.542 4.882 4.340 0.000 0.000 0.269 3308 Q C -0.948 175.050 176.000 -0.003 0.000 1.022 3308 Q CA -0.582 55.243 55.803 0.038 0.000 0.796 3308 Q CB 2.253 31.063 28.738 0.120 0.000 1.271 3308 Q HN 0.551 nan 8.270 nan 0.000 0.450 3309 R N 1.104 121.606 120.500 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 -0.227 55.858 56.100 -0.025 0.000 0.897 3309 R CB 1.704 31.989 30.300 -0.024 0.000 1.192 3309 R HN 0.743 nan 8.270 nan 0.000 0.457 3310 T N 0.047 114.567 114.554 -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 -0.751 61.316 62.100 -0.055 0.000 1.013 3310 T CB 1.569 70.364 68.868 -0.122 0.000 1.117 3310 T HN 0.646 nan 8.240 nan 0.000 0.533 3311 A N 0.915 123.733 122.820 -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 0.419 52.455 52.037 -0.001 0.000 0.937 3311 A CB -2.208 16.798 19.000 0.010 0.000 1.096 3311 A HN 1.976 nan 8.150 nan 0.000 0.534 3312 N N 0.007 118.698 118.700 -0.015 0.000 2.542 3312 N HA 0.378 5.118 4.740 0.000 0.000 0.218 3312 N C 1.125 176.621 175.510 -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 2.272 nan 8.380 nan 0.000 1.106 3313 F N -0.292 119.643 119.950 -0.024 0.000 3.048 3313 F HA -0.097 4.430 4.527 0.000 0.000 0.287 3313 F C 1.020 176.797 175.800 -0.037 0.000 0.796 3313 F CA 1.776 59.760 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 1.419 117.095 115.700 -0.041 0.000 2.439 3314 S HA 0.457 4.927 4.470 0.000 0.000 0.282 3314 S C -0.303 174.261 174.600 -0.061 0.000 1.170 3314 S CA 0.000 58.170 58.200 -0.050 0.000 1.054 3314 S CB 0.303 63.474 63.200 -0.049 0.000 0.956 3314 S HN 0.486 nan 8.310 nan 0.000 0.490 3315 D N 3.409 123.771 120.400 -0.065 0.000 2.264 3315 D HA 0.148 4.788 4.640 0.000 0.000 0.250 3315 D C 1.125 177.388 176.300 -0.063 0.000 1.113 3315 D CA -0.008 53.952 54.000 -0.066 0.000 0.871 3315 D CB 1.753 42.503 40.800 -0.083 0.000 1.167 3315 D HN 0.713 nan 8.370 nan 0.000 0.447 3316 T N -0.451 114.067 114.554 -0.060 0.000 3.065 3316 T HA 0.004 4.354 4.350 0.000 0.000 0.252 3316 T C 0.977 175.651 174.700 -0.044 0.000 1.099 3316 T CA -0.122 61.941 62.100 -0.062 0.000 1.063 3316 T CB 0.170 68.988 68.868 -0.084 0.000 0.948 3316 T HN 0.592 nan 8.240 nan 0.000 0.506 3317 R N 0.277 120.765 120.500 -0.019 0.000 2.714 3317 R HA 0.310 4.650 4.340 0.000 0.000 0.214 3317 R C -0.867 175.482 176.300 0.082 0.000 1.474 3317 R CA -0.648 55.455 56.100 0.004 0.000 1.435 3317 R CB -0.315 29.960 30.300 -0.041 0.000 1.517 3317 R HN 0.085 nan 8.270 nan 0.000 0.748 3318 K N 2.983 123.389 120.400 0.010 0.000 2.292 3318 K HA 0.279 4.599 4.320 0.000 0.000 0.290 3318 K C -0.946 175.663 176.600 0.015 0.000 1.083 3318 K CA -0.168 56.101 56.287 -0.030 0.000 0.918 3318 K CB 0.432 32.807 32.500 -0.209 0.000 1.089 3318 K HN 0.446 nan 8.250 nan 0.000 0.473 3319 L N 3.374 124.700 121.223 0.170 0.000 2.370 3319 L HA 0.355 4.695 4.340 0.000 0.000 0.266 3319 L C -0.289 176.715 176.870 0.223 0.000 1.002 3319 L CA -1.384 53.578 54.840 0.204 0.000 0.818 3319 L CB 1.924 44.166 42.059 0.305 0.000 1.325 3319 L HN 0.715 nan 8.230 nan 0.000 0.418 3320 D N 0.695 121.198 120.400 0.171 0.000 2.368 3320 D HA 0.127 4.767 4.640 0.000 0.000 0.240 3320 D C -2.097 174.311 176.300 0.180 0.000 1.169 3320 D CA -1.144 52.948 54.000 0.155 0.000 0.906 3320 D CB 0.625 41.495 40.800 0.118 0.000 1.187 3320 D HN 0.208 nan 8.370 nan 0.000 0.435 3321 P HA -0.197 nan 4.420 nan 0.000 0.216 3321 P C 1.006 178.468 177.300 0.271 0.000 1.153 3321 P CA 1.501 64.697 63.100 0.159 0.000 0.858 3321 P CB 0.112 31.869 31.700 0.095 0.000 0.789 3322 K N -1.214 119.309 120.400 0.204 0.000 2.097 3322 K HA -0.047 4.273 4.320 0.000 0.000 0.205 3322 K C 1.913 178.633 176.600 0.199 0.000 1.050 3322 K CA 1.536 57.939 56.287 0.193 0.000 0.938 3322 K CB -0.623 31.958 32.500 0.134 0.000 0.718 3322 K HN 0.164 nan 8.250 nan 0.000 0.442 3323 T N 0.472 115.142 114.554 0.192 0.000 2.904 3323 T HA -0.143 4.207 4.350 0.000 0.000 0.267 3323 T C 1.184 176.007 174.700 0.205 0.000 1.059 3323 T CA 0.599 62.796 62.100 0.161 0.000 1.137 3323 T CB -0.133 68.811 68.868 0.126 0.000 0.879 3323 T HN 0.427 nan 8.240 nan 0.000 0.467 3324 W N 2.276 123.642 121.300 0.109 0.000 2.355 3324 W HA -0.090 4.570 4.660 0.000 0.000 0.309 3324 W C 2.467 179.104 176.519 0.196 0.000 1.206 3324 W CA 1.298 58.729 57.345 0.143 0.000 1.284 3324 W CB -0.637 28.911 29.460 0.148 0.000 1.145 3324 W HN 0.292 nan 8.180 nan 0.000 0.502 3325 A N 0.941 124.056 122.820 0.491 0.000 1.933 3325 A HA -0.087 4.233 4.320 0.000 0.000 0.218 3325 A C 2.199 179.905 177.584 0.203 0.000 1.175 3325 A CA 2.681 54.943 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 -0.821 122.090 122.820 0.150 0.000 1.908 3326 A HA -0.212 4.108 4.320 0.000 0.000 0.218 3326 A C 2.093 179.707 177.584 0.050 0.000 1.181 3326 A CA 1.745 53.833 52.037 0.085 0.000 0.627 3326 A CB -0.486 18.555 19.000 0.069 0.000 0.818 3326 A HN 0.514 nan 8.150 nan 0.000 0.445 3327 Q N -0.535 119.270 119.800 0.009 0.000 2.124 3327 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 3327 Q C 2.113 178.129 176.000 0.026 0.000 0.977 3327 Q CA 1.983 57.762 55.803 -0.041 0.000 0.850 3327 Q CB -1.220 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 1.039 115.648 114.554 0.092 0.000 2.821 3328 T HA -0.051 4.299 4.350 0.000 0.000 0.267 3328 T C 1.808 176.571 174.700 0.105 0.000 1.046 3328 T CA 0.711 62.938 62.100 0.212 0.000 1.139 3328 T CB -0.034 69.059 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 2.442 178.748 176.300 0.009 0.000 1.117 3329 R CA 0.745 56.857 56.100 0.019 0.000 0.981 3329 R CB -0.047 30.269 30.300 0.027 0.000 0.870 3329 R HN 0.211 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 0.021 4.361 4.340 0.000 0.000 0.218 3330 R C 1.887 178.203 176.300 0.026 0.000 1.074 3330 R CA 0.715 56.827 56.100 0.019 0.000 0.991 3330 R CB 0.026 30.338 30.300 0.020 0.000 0.883 3330 R HN 0.163 nan 8.270 nan 0.000 0.457 3331 R N 0.507 121.037 120.500 0.050 0.000 2.105 3331 R HA 0.140 4.480 4.340 0.000 0.000 0.214 3331 R C 2.051 178.343 176.300 -0.012 0.000 1.091 3331 R CA 0.836 56.976 56.100 0.066 0.000 1.007 3331 R CB -0.033 30.385 30.300 0.197 0.000 0.912 3331 R HN 0.312 nan 8.270 nan 0.000 0.450 3332 I N -3.768 116.753 120.570 -0.082 0.000 4.050 3332 I HA 0.472 4.642 4.170 0.000 0.000 0.327 3332 I C 0.485 176.512 176.117 -0.150 0.000 1.473 3332 I CA 0.102 61.298 61.300 -0.173 0.000 1.124 3332 I CB 0.837 38.602 38.000 -0.392 0.000 1.129 3332 I HN -0.026 nan 8.210 nan 0.000 0.428 3333 A N 0.245 123.010 122.820 -0.092 0.000 2.861 3333 A HA -0.222 4.098 4.320 0.000 0.000 0.261 3333 A C 0.650 178.187 177.584 -0.079 0.000 1.351 3333 A CA 1.705 53.700 52.037 -0.070 0.000 0.904 3333 A CB -2.287 16.674 19.000 -0.064 0.000 1.076 3333 A HN 0.804 nan 8.150 nan 0.000 0.729 3334 T N -1.890 112.598 114.554 -0.110 0.000 2.654 3334 T HA 0.497 4.847 4.350 0.000 0.000 0.303 3334 T C -2.137 172.484 174.700 -0.132 0.000 1.656 3334 T CA 0.135 62.174 62.100 -0.102 0.000 0.971 3334 T CB 0.937 69.737 68.868 -0.114 0.000 1.811 3334 T HN 0.286 nan 8.240 nan 0.000 0.483 3335 D N 0.560 120.902 120.400 -0.096 0.000 2.217 3335 D HA 0.516 5.156 4.640 0.000 0.000 0.248 3335 D C -0.290 175.923 176.300 -0.144 0.000 1.008 3335 D CA -0.132 53.832 54.000 -0.061 0.000 0.914 3335 D CB 0.829 41.647 40.800 0.030 0.000 1.182 3335 D HN 0.338 nan 8.370 nan 0.000 0.451 3336 F N 0.583 120.475 119.950 -0.096 0.000 2.399 3336 F HA 0.217 4.744 4.527 0.000 0.000 0.313 3336 F C -1.336 174.369 175.800 -0.158 0.000 1.202 3336 F CA -1.255 56.612 58.000 -0.221 0.000 1.192 3336 F CB 0.056 38.818 39.000 -0.396 0.000 1.256 3336 F HN 0.062 nan 8.300 nan 0.000 0.558 3337 P HA -0.010 nan 4.420 nan 0.000 0.270 3337 P C -1.156 176.180 177.300 0.061 0.000 1.227 3337 P CA -0.254 62.916 63.100 0.118 0.000 0.788 3337 P CB 0.333 32.203 31.700 0.282 0.000 0.926 3338 K N 1.176 121.618 120.400 0.070 0.000 2.530 3338 K HA 0.106 4.426 4.320 0.000 0.000 0.280 3338 K C 1.299 177.960 176.600 0.101 0.000 1.004 3338 K CA 1.286 57.615 56.287 0.069 0.000 1.071 3338 K CB -0.764 31.794 32.500 0.097 0.000 0.876 3338 K HN 0.861 nan 8.250 nan 0.000 0.487 3339 G N 1.186 109.992 108.800 0.010 0.000 2.179 3339 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 3339 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 3339 G C 0.032 174.847 174.900 -0.142 0.000 0.977 3339 G CA 0.074 45.224 45.100 0.082 0.000 0.641 3339 G HN 0.431 nan 8.290 nan 0.000 0.533 3340 V N 1.049 120.732 119.914 -0.385 0.000 2.370 3340 V HA 0.645 4.765 4.120 0.000 0.000 0.279 3340 V C -0.268 175.441 176.094 -0.641 0.000 1.029 3340 V CA -0.769 61.302 62.300 -0.380 0.000 0.870 3340 V CB 0.811 32.408 31.823 -0.375 0.000 0.984 3340 V HN 0.255 nan 8.190 nan 0.000 0.451 3341 Y N 4.180 124.518 120.300 0.064 0.000 2.393 3341 Y HA 0.618 5.168 4.550 0.000 0.000 0.341 3341 Y C -0.503 175.571 175.900 0.289 0.000 0.988 3341 Y CA -0.778 57.459 58.100 0.228 0.000 1.078 3341 Y CB 1.834 40.351 38.460 0.095 0.000 1.203 3341 Y HN 0.633 nan 8.280 nan 0.000 0.453 3342 Y N 2.242 122.840 120.300 0.497 0.000 2.468 3342 Y HA 0.675 5.225 4.550 0.000 0.000 0.342 3342 Y C -1.200 175.018 175.900 0.529 0.000 1.021 3342 Y CA -1.833 56.461 58.100 0.323 0.000 1.079 3342 Y CB 1.733 40.296 38.460 0.171 0.000 1.226 3342 Y HN 0.800 nan 8.280 nan 0.000 0.460 3343 C N 6.602 125.675 119.300 -0.378 0.000 2.505 3343 C HA 0.362 4.822 4.460 0.000 0.000 0.342 3343 C C -1.315 173.303 174.990 -0.619 0.000 1.121 3343 C CA -0.715 58.137 59.018 -0.277 0.000 1.306 3343 C CB -0.055 27.906 27.740 0.368 0.000 1.897 3343 C HN 0.888 nan 8.230 nan 0.000 0.446 3344 D N 3.908 124.006 120.400 -0.503 0.000 2.280 3344 D HA 0.300 4.940 4.640 0.000 0.000 0.243 3344 D C 0.105 176.375 176.300 -0.050 0.000 1.129 3344 D CA 0.320 54.193 54.000 -0.212 0.000 0.848 3344 D CB 0.762 41.566 40.800 0.007 0.000 1.107 3344 D HN 0.712 nan 8.370 nan 0.000 0.471 3345 N N 3.419 122.133 118.700 0.024 0.000 2.377 3345 N HA 0.094 4.833 4.740 0.000 0.000 0.259 3345 N C 1.105 176.653 175.510 0.063 0.000 1.332 3345 N CA -0.163 52.917 53.050 0.050 0.000 0.877 3345 N CB 0.700 39.232 38.487 0.074 0.000 1.299 3345 N HN 0.357 nan 8.380 nan 0.000 0.501 3346 R N 0.538 121.081 120.500 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 1.290 57.425 56.100 0.059 0.000 0.951 3346 R CB 0.060 30.436 30.300 0.127 0.000 0.851 3346 R HN 0.070 nan 8.270 nan 0.000 0.434 3347 D N 0.230 120.657 120.400 0.045 0.000 2.224 3347 D HA -0.029 4.611 4.640 0.000 0.000 0.205 3347 D C 0.135 176.460 176.300 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 0.641 121.073 120.400 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 54.888 56.287 0.083 0.000 0.993 3348 K CB 2.387 34.941 32.500 0.091 0.000 1.199 3348 K HN -0.108 nan 8.250 nan 0.000 0.598 3349 P HA -0.059 nan 4.420 nan 0.000 0.265 3349 P C -0.075 177.354 177.300 0.215 0.000 1.187 3349 P CA -0.118 63.056 63.100 0.123 0.000 0.766 3349 P CB 0.451 32.193 31.700 0.071 0.000 0.820 3350 I N 3.731 124.422 120.570 0.202 0.000 2.598 3350 I HA -0.020 4.150 4.170 0.000 0.000 0.284 3350 I C -0.003 176.342 176.117 0.379 0.000 1.140 3350 I CA 0.366 61.783 61.300 0.194 0.000 1.420 3350 I CB -1.074 36.732 38.000 -0.323 0.000 1.387 3350 I HN 0.417 nan 8.210 nan 0.000 0.553 3351 Y N 6.531 126.939 120.300 0.181 0.000 2.359 3351 Y HA 0.216 4.766 4.550 0.000 0.000 0.336 3351 Y C 0.319 176.151 175.900 -0.112 0.000 1.098 3351 Y CA -1.336 56.779 58.100 0.025 0.000 1.272 3351 Y CB 0.873 39.290 38.460 -0.071 0.000 1.112 3351 Y HN 0.709 nan 8.280 nan 0.000 0.481 3352 T N 2.339 116.803 114.554 -0.151 0.000 2.903 3352 T HA 0.376 4.726 4.350 0.000 0.000 0.314 3352 T C 0.852 175.221 174.700 -0.551 0.000 1.078 3352 T CA 0.603 62.581 62.100 -0.202 0.000 1.114 3352 T CB 0.826 69.651 68.868 -0.073 0.000 0.987 3352 T HN 0.944 nan 8.240 nan 0.000 0.548 3353 L N -1.104 119.883 121.223 -0.393 0.000 3.294 3353 L HA -0.181 4.159 4.340 0.000 0.000 0.437 3353 L C 1.615 178.251 176.870 -0.391 0.000 0.749 3353 L CA 1.227 55.832 54.840 -0.391 0.000 2.510 3353 L CB -1.497 40.255 42.059 -0.513 0.000 1.159 3353 L HN 0.835 nan 8.230 nan 0.000 0.602 3354 Q N 0.366 119.855 119.800 -0.519 0.000 2.391 3354 Q HA 0.070 4.410 4.340 0.000 0.000 0.243 3354 Q C -0.190 175.566 176.000 -0.408 0.000 0.874 3354 Q CA 0.851 56.355 55.803 -0.498 0.000 0.950 3354 Q CB 0.904 29.227 28.738 -0.691 0.000 1.103 3354 Q HN 0.636 nan 8.270 nan 0.000 0.544 3355 Y N -2.329 117.942 120.300 -0.048 0.000 2.988 3355 Y HA 0.546 5.096 4.550 0.000 0.000 0.241 3355 Y C -0.048 175.828 175.900 -0.040 0.000 0.904 3355 Y CA -0.930 57.152 58.100 -0.031 0.000 1.146 3355 Y CB -0.424 38.029 38.460 -0.011 0.000 1.178 3355 Y HN 0.156 nan 8.280 nan 0.000 0.584 3356 G N 1.765 110.638 108.800 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 -0.337 174.619 174.900 0.094 0.000 1.448 3356 G CA -0.254 44.890 45.100 0.073 0.000 0.911 3356 G HN 0.651 nan 8.290 nan 0.000 0.553 3357 N N -0.862 117.867 118.700 0.047 0.000 2.454 3357 N HA 0.330 5.070 4.740 0.000 0.000 0.254 3357 N C 0.241 175.797 175.510 0.075 0.000 1.228 3357 N CA 0.260 53.340 53.050 0.050 0.000 0.900 3357 N CB 1.401 39.899 38.487 0.018 0.000 1.089 3357 N HN 0.584 nan 8.380 nan 0.000 0.449 3358 V N -0.241 119.743 119.914 0.117 0.000 2.864 3358 V HA 0.825 4.945 4.120 0.000 0.000 0.314 3358 V C 0.599 176.856 176.094 0.271 0.000 1.073 3358 V CA -0.869 61.511 62.300 0.134 0.000 0.956 3358 V CB 2.119 33.980 31.823 0.064 0.000 1.023 3358 V HN 0.811 nan 8.190 nan 0.000 0.435 3359 G N 0.818 109.763 108.800 0.242 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 -1.955 173.097 174.900 0.254 0.000 1.336 3359 G CA -0.587 44.630 45.100 0.195 0.000 0.953 3359 G HN 0.479 nan 8.290 nan 0.000 0.482 3360 F N 1.928 121.877 119.950 -0.001 0.000 2.408 3360 F HA 0.655 5.182 4.527 0.000 0.000 0.344 3360 F C -0.243 175.541 175.800 -0.026 0.000 1.112 3360 F CA -0.475 57.557 58.000 0.052 0.000 1.096 3360 F CB 1.677 40.655 39.000 -0.037 0.000 1.129 3360 F HN 0.282 nan 8.300 nan 0.000 0.486 3361 V N 6.449 126.070 119.914 -0.488 0.000 2.555 3361 V HA 0.600 4.720 4.120 0.000 0.000 0.302 3361 V C -0.869 175.001 176.094 -0.373 0.000 1.038 3361 V CA -0.867 61.267 62.300 -0.278 0.000 0.887 3361 V CB 1.678 33.419 31.823 -0.137 0.000 0.991 3361 V HN 0.574 nan 8.190 nan 0.000 0.434 3362 V N 3.735 123.533 119.914 -0.193 0.000 2.525 3362 V HA 0.468 4.588 4.120 0.000 0.000 0.299 3362 V C -0.414 175.480 176.094 -0.334 0.000 1.034 3362 V CA -0.655 61.459 62.300 -0.310 0.000 0.863 3362 V CB 2.021 33.665 31.823 -0.298 0.000 0.999 3362 V HN 0.886 nan 8.190 nan 0.000 0.423 3363 N N 6.708 125.070 118.700 -0.563 0.000 2.558 3363 N HA 0.377 5.117 4.740 0.000 0.000 0.242 3363 N C -2.778 172.442 175.510 -0.483 0.000 0.979 3363 N CA -1.643 51.047 53.050 -0.601 0.000 0.931 3363 N CB 2.542 40.330 38.487 -1.165 0.000 1.122 3363 N HN 0.344 nan 8.380 nan 0.000 0.508 3364 P HA 0.148 nan 4.420 nan 0.000 0.279 3364 P C 0.163 177.391 177.300 -0.119 0.000 1.239 3364 P CA -0.182 62.789 63.100 -0.215 0.000 0.789 3364 P CB 2.001 33.570 31.700 -0.218 0.000 0.933 3365 K N 1.651 122.020 120.400 -0.051 0.000 2.211 3365 K HA 0.084 4.404 4.320 0.000 0.000 0.201 3365 K C -0.112 176.482 176.600 -0.010 0.000 1.052 3365 K CA 0.899 57.166 56.287 -0.034 0.000 0.973 3365 K CB 0.329 32.818 32.500 -0.019 0.000 0.766 3365 K HN 0.428 nan 8.250 nan 0.000 0.466 3366 T N 0.588 115.156 114.554 0.024 0.000 2.916 3366 T HA 0.409 4.759 4.350 0.000 0.000 0.298 3366 T C -1.537 173.191 174.700 0.046 0.000 1.031 3366 T CA -0.706 61.400 62.100 0.009 0.000 0.993 3366 T CB 2.343 71.198 68.868 -0.021 0.000 1.045 3366 T HN -0.190 nan 8.240 nan 0.000 0.454 3367 V N 4.128 124.049 119.914 0.012 0.000 2.419 3367 V HA 0.412 4.532 4.120 0.000 0.000 0.287 3367 V C -0.351 175.722 176.094 -0.035 0.000 1.017 3367 V CA -1.112 61.202 62.300 0.024 0.000 0.844 3367 V CB 1.503 33.332 31.823 0.011 0.000 1.011 3367 V HN 0.773 nan 8.190 nan 0.000 0.429 3368 N N 2.339 120.991 118.700 -0.080 0.000 2.379 3368 N HA 0.231 4.971 4.740 0.000 0.000 0.260 3368 N C 0.027 175.494 175.510 -0.072 0.000 1.254 3368 N CA -0.491 52.505 53.050 -0.091 0.000 0.958 3368 N CB 0.746 39.150 38.487 -0.139 0.000 1.208 3368 N HN 0.779 nan 8.380 nan 0.000 0.532 3369 Q N 0.574 120.337 119.800 -0.063 0.000 2.337 3369 Q HA -0.014 4.326 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 0.119 55.894 55.803 -0.047 0.000 0.888 3369 Q CB 0.163 28.879 28.738 -0.037 0.000 1.222 3369 Q HN 0.436 nan 8.270 nan 0.000 0.400 3370 N N 0.342 119.018 118.700 -0.040 0.000 2.776 3370 N HA -0.185 4.555 4.740 0.000 0.000 0.249 3370 N C -1.241 174.239 175.510 -0.050 0.000 1.111 3370 N CA 0.955 53.983 53.050 -0.036 0.000 0.711 3370 N CB -1.662 36.806 38.487 -0.032 0.000 1.065 3370 N HN 0.639 nan 8.380 nan 0.000 0.556 3371 A N 0.812 123.601 122.820 -0.051 0.000 2.371 3371 A HA 0.666 4.986 4.320 0.000 0.000 0.257 3371 A C 0.874 178.446 177.584 -0.019 0.000 1.089 3371 A CA 0.192 52.212 52.037 -0.027 0.000 0.794 3371 A CB 0.622 19.645 19.000 0.039 0.000 1.029 3371 A HN 0.463 nan 8.150 nan 0.000 0.488 3372 R N 0.786 121.303 120.500 0.028 0.000 2.690 3372 R HA 0.605 4.945 4.340 0.000 0.000 0.269 3372 R C -2.131 174.197 176.300 0.047 0.000 1.037 3372 R CA -0.927 55.165 56.100 -0.012 0.000 0.877 3372 R CB 0.869 31.185 30.300 0.028 0.000 1.255 3372 R HN 0.455 nan 8.270 nan 0.000 0.467 3373 L N 2.625 123.856 121.223 0.013 0.000 2.296 3373 L HA 0.478 4.818 4.340 0.000 0.000 0.286 3373 L C -0.646 176.293 176.870 0.116 0.000 1.023 3373 L CA -1.032 53.848 54.840 0.067 0.000 0.812 3373 L CB 1.658 43.755 42.059 0.063 0.000 1.223 3373 L HN 0.445 nan 8.230 nan 0.000 0.421 3374 L N 4.834 126.143 121.223 0.144 0.000 2.257 3374 L HA 0.420 4.760 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 -0.315 54.644 54.840 0.198 0.000 0.810 3374 L CB 1.108 43.362 42.059 0.325 0.000 1.193 3374 L HN 0.487 nan 8.230 nan 0.000 0.425 3375 M N 2.853 122.443 119.600 -0.016 0.000 2.209 3375 M HA 0.456 4.936 4.480 0.000 0.000 0.355 3375 M C 0.333 176.341 176.300 -0.487 0.000 1.171 3375 M CA -0.339 54.772 55.300 -0.316 0.000 1.069 3375 M CB 1.353 33.715 32.600 -0.398 0.000 1.622 3375 M HN 0.558 nan 8.290 nan 0.000 0.459 3376 G N 3.511 111.897 108.800 -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 -1.783 172.740 174.900 -0.628 0.000 1.316 3376 G CA -0.250 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 0.228 120.581 120.300 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 0.427 0.000 0.998 3377 Y CA -0.933 57.404 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 2.747 123.282 120.200 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 31.151 29.700 0.314 0.000 1.147 3378 E HN 0.584 nan 8.360 nan 0.000 0.414 3379 Y N 1.736 122.039 120.300 0.006 0.000 2.670 3379 Y HA 0.569 5.119 4.550 0.000 0.000 0.334 3379 Y C -1.884 173.971 175.900 -0.074 0.000 1.185 3379 Y CA -1.467 56.539 58.100 -0.157 0.000 1.053 3379 Y CB 1.015 39.231 38.460 -0.407 0.000 1.298 3379 Y HN 0.285 nan 8.280 nan 0.000 0.459 3380 F N 0.814 120.864 119.950 0.168 0.000 2.480 3380 F HA 0.708 5.235 4.527 0.000 0.000 0.329 3380 F C 0.225 176.087 175.800 0.104 0.000 1.091 3380 F CA -0.910 57.135 58.000 0.075 0.000 0.972 3380 F CB 2.517 41.507 39.000 -0.016 0.000 1.150 3380 F HN 0.740 nan 8.300 nan 0.000 0.467 3381 T N 1.050 115.755 114.554 0.253 0.000 2.853 3381 T HA 0.293 4.643 4.350 0.000 0.000 0.311 3381 T C -1.039 173.711 174.700 0.083 0.000 1.307 3381 T CA -0.514 61.686 62.100 0.167 0.000 1.019 3381 T CB 1.559 70.509 68.868 0.136 0.000 1.264 3381 T HN 0.484 nan 8.240 nan 0.000 0.497 3382 S N 2.124 117.870 115.700 0.077 0.000 2.565 3382 S HA 0.386 4.856 4.470 0.000 0.000 0.276 3382 S C 0.366 174.983 174.600 0.029 0.000 1.326 3382 S CA -0.588 57.632 58.200 0.034 0.000 1.045 3382 S CB 0.620 63.842 63.200 0.036 0.000 0.918 3382 S HN 0.660 nan 8.310 nan 0.000 0.505 3383 R N 0.886 121.389 120.500 0.005 0.000 2.726 3383 R HA 0.418 4.758 4.340 0.000 0.000 0.272 3383 R C 1.465 177.778 176.300 0.021 0.000 1.097 3383 R CA 0.992 57.093 56.100 0.002 0.000 1.198 3383 R CB -0.374 29.927 30.300 0.002 0.000 1.114 3383 R HN 0.928 nan 8.270 nan 0.000 0.550 3384 T N -2.202 112.367 114.554 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 2.902 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