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 2hrq_1_C DATA FIRST_RESID 3022 DATA SEQUENCE SPPVVDTVHG KVLGKFVSLE GFAQPVAIFL GIPFAKPPLG PLRFTPPQPA DATA SEQUENCE EPWSFVKNAT SYPPMcTQDP KAGQLLSELF TNRKENIPLK LSEDcLYLNI DATA SEQUENCE YTPADLTKKN RLPVMVWIHG GGLMVGAAST YDGLALAAHE NVVVVTIQYR DATA SEQUENCE LGIWGFFSTG DEHSRGNWGH LDQVAALRWV QDNIASFGGN PGSVTIFGES DATA SEQUENCE AGGESVSVLV LSPLAKNLFH RAISESGVAL TSVLVKKGDV KPLAEQIAIT DATA SEQUENCE AGcKTTTSAV MVHcLRQKTE EELLETTLKM KFLSLDLQGD PRESQPLLGT DATA SEQUENCE VIDGMLLLKT PEELQAERNF HTVPYMVGIN KQEFGWLIPM XLMSYPLSEG DATA SEQUENCE QLDQKTAMSL LWKSYPLVCI AKELIPEATE KYLGGTDDTV KKKDLFLDLI DATA SEQUENCE ADVMFGVPSV IVARNHRDAG APTYMYEFQY RPSFSSDMKP KTVIGDHGDE DATA SEQUENCE LFSVFGAPFL KEGASEEEIR LSKMVMKFWA NFARNGNPNG EGLPHWPEYN DATA SEQUENCE QKEGYLQIGA NTQAAQKLKD KEVAFWTNLF AK 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 3022 S HA 0.000 nan 4.470 nan 0.000 0.327 3022 S C 0.000 174.694 174.600 0.157 0.000 1.055 3022 S CA 0.000 58.285 58.200 0.142 0.000 1.107 3022 S CB 0.000 63.275 63.200 0.124 0.000 0.593 3023 P HA 0.161 nan 4.420 nan 0.000 0.260 3023 P C -2.469 174.746 177.300 -0.143 0.000 1.172 3023 P CA -0.427 62.608 63.100 -0.109 0.000 0.760 3023 P CB -0.134 31.524 31.700 -0.069 0.000 0.773 3024 P HA 0.091 nan 4.420 nan 0.000 0.281 3024 P C -0.984 176.324 177.300 0.013 0.000 1.252 3024 P CA 0.100 63.056 63.100 -0.241 0.000 0.778 3024 P CB 0.900 32.232 31.700 -0.613 0.000 0.895 3025 V N 4.491 124.465 119.914 0.100 0.000 2.483 3025 V HA 0.291 4.324 4.120 -0.146 0.000 0.297 3025 V C 0.229 176.378 176.094 0.091 0.000 1.027 3025 V CA -0.661 61.724 62.300 0.142 0.000 0.855 3025 V CB 2.190 34.073 31.823 0.100 0.000 0.995 3025 V HN 0.310 nan 8.190 nan 0.000 0.424 3026 V N 3.278 123.226 119.914 0.055 0.000 2.628 3026 V HA 0.501 4.533 4.120 -0.146 0.000 0.306 3026 V C -0.578 175.447 176.094 -0.116 0.000 1.045 3026 V CA -0.803 61.387 62.300 -0.183 0.000 0.905 3026 V CB 2.349 33.751 31.823 -0.701 0.000 0.997 3026 V HN 0.799 nan 8.190 nan 0.000 0.436 3027 D N 2.923 123.232 120.400 -0.152 0.000 2.359 3027 D HA 0.364 4.916 4.640 -0.146 0.000 0.230 3027 D C 0.326 176.550 176.300 -0.128 0.000 1.118 3027 D CA 0.103 54.049 54.000 -0.089 0.000 0.844 3027 D CB 1.850 42.599 40.800 -0.086 0.000 1.059 3027 D HN 0.752 nan 8.370 nan 0.000 0.493 3028 T N -1.896 112.637 114.554 -0.036 0.000 2.897 3028 T HA 0.218 4.481 4.350 -0.146 0.000 0.278 3028 T C 1.559 176.154 174.700 -0.174 0.000 0.981 3028 T CA -0.728 61.354 62.100 -0.031 0.000 0.973 3028 T CB 1.125 70.169 68.868 0.294 0.000 1.092 3028 T HN 0.002 nan 8.240 nan 0.000 0.543 3029 V N 1.161 120.910 119.914 -0.275 0.000 2.469 3029 V HA -0.124 3.909 4.120 -0.146 0.000 0.251 3029 V C 1.947 177.756 176.094 -0.475 0.000 1.064 3029 V CA 1.639 63.698 62.300 -0.402 0.000 1.066 3029 V CB -1.115 30.381 31.823 -0.544 0.000 0.667 3029 V HN 0.860 nan 8.190 nan 0.000 0.461 3030 H N -0.547 118.307 119.070 -0.361 0.000 2.520 3030 H HA 0.531 4.999 4.556 -0.145 0.000 0.284 3030 H C 0.874 175.328 175.328 -1.457 0.000 1.037 3030 H CA 0.797 56.400 56.048 -0.741 0.000 1.168 3030 H CB 0.588 29.929 29.762 -0.701 0.000 1.497 3030 H HN 0.497 nan 8.280 nan 0.000 0.547 3031 G N 0.468 108.746 108.800 -0.870 0.000 2.351 3031 G HA2 -0.041 3.832 3.960 -0.146 0.000 0.353 3031 G HA3 -0.041 3.832 3.960 -0.146 0.000 0.353 3031 G C -1.253 173.631 174.900 -0.027 0.000 1.358 3031 G CA -1.182 43.448 45.100 -0.785 0.000 0.995 3031 G HN 0.050 nan 8.290 nan 0.000 0.611 3032 K N -0.637 119.915 120.400 0.253 0.000 2.185 3032 K HA 0.623 4.855 4.320 -0.146 0.000 0.271 3032 K C 0.306 177.231 176.600 0.541 0.000 1.013 3032 K CA -0.463 56.021 56.287 0.328 0.000 0.943 3032 K CB 1.908 34.542 32.500 0.223 0.000 0.998 3032 K HN 1.136 nan 8.250 nan 0.000 0.468 3033 V N 0.051 120.203 119.914 0.396 0.000 2.735 3033 V HA 0.479 4.512 4.120 -0.146 0.000 0.310 3033 V C -0.955 175.355 176.094 0.359 0.000 1.061 3033 V CA -1.143 61.390 62.300 0.387 0.000 0.913 3033 V CB 1.759 33.853 31.823 0.451 0.000 1.005 3033 V HN 0.577 nan 8.190 nan 0.000 0.428 3034 L N 4.455 125.843 121.223 0.275 0.000 2.296 3034 L HA 0.899 5.152 4.340 -0.146 0.000 0.286 3034 L C 0.385 177.307 176.870 0.086 0.000 1.023 3034 L CA 0.708 55.653 54.840 0.175 0.000 0.812 3034 L CB 0.911 43.013 42.059 0.072 0.000 1.223 3034 L HN 1.066 nan 8.230 nan 0.000 0.421 3035 G N 4.948 113.658 108.800 -0.151 0.000 2.990 3035 G HA2 0.629 4.501 3.960 -0.146 0.000 0.208 3035 G HA3 0.629 4.501 3.960 -0.146 0.000 0.208 3035 G C -1.184 173.375 174.900 -0.568 0.000 1.334 3035 G CA -0.510 44.167 45.100 -0.705 0.000 1.024 3035 G HN 0.712 nan 8.290 nan 0.000 0.574 3036 K N -1.259 118.743 120.400 -0.663 0.000 2.527 3036 K HA 0.569 4.801 4.320 -0.146 0.000 0.260 3036 K C -1.802 174.556 176.600 -0.404 0.000 0.937 3036 K CA -0.822 55.203 56.287 -0.437 0.000 0.826 3036 K CB 1.898 34.247 32.500 -0.251 0.000 1.359 3036 K HN 0.301 nan 8.250 nan 0.000 0.434 3037 F N 1.394 121.279 119.950 -0.107 0.000 2.394 3037 F HA 0.499 4.940 4.527 -0.144 0.000 0.340 3037 F C -0.223 175.560 175.800 -0.030 0.000 1.105 3037 F CA -0.826 57.139 58.000 -0.057 0.000 1.124 3037 F CB 2.039 41.027 39.000 -0.021 0.000 1.145 3037 F HN 0.108 nan 8.300 nan 0.000 0.505 3038 V N 2.119 122.170 119.914 0.227 0.000 2.888 3038 V HA 0.353 4.386 4.120 -0.146 0.000 0.309 3038 V C -0.808 175.362 176.094 0.126 0.000 1.114 3038 V CA -0.797 61.586 62.300 0.139 0.000 0.940 3038 V CB 2.290 34.178 31.823 0.109 0.000 1.021 3038 V HN 0.720 nan 8.190 nan 0.000 0.426 3039 S N 3.794 119.554 115.700 0.100 0.000 2.454 3039 S HA 0.656 5.039 4.470 -0.146 0.000 0.306 3039 S C -0.735 173.929 174.600 0.106 0.000 1.100 3039 S CA -0.403 57.854 58.200 0.094 0.000 1.087 3039 S CB 1.463 64.711 63.200 0.080 0.000 1.019 3039 S HN 0.570 nan 8.310 nan 0.000 0.480 3040 L N 3.628 124.920 121.223 0.116 0.000 2.257 3040 L HA 0.448 4.700 4.340 -0.146 0.000 0.290 3040 L C 0.158 177.188 176.870 0.267 0.000 1.044 3040 L CA -0.505 54.422 54.840 0.146 0.000 0.810 3040 L CB 0.540 42.605 42.059 0.009 0.000 1.193 3040 L HN 0.644 nan 8.230 nan 0.000 0.425 3041 E N 4.201 124.527 120.200 0.210 0.000 3.197 3041 E HA 0.219 4.482 4.350 -0.146 0.000 0.251 3041 E C 1.123 177.834 176.600 0.185 0.000 0.912 3041 E CA 1.625 58.132 56.400 0.177 0.000 0.960 3041 E CB -0.294 29.498 29.700 0.153 0.000 0.897 3041 E HN 0.876 nan 8.360 nan 0.000 0.550 3042 G N 3.434 112.280 108.800 0.077 0.000 2.284 3042 G HA2 -0.255 3.617 3.960 -0.146 0.000 0.216 3042 G HA3 -0.255 3.617 3.960 -0.146 0.000 0.216 3042 G C -0.047 174.689 174.900 -0.274 0.000 1.009 3042 G CA -0.139 44.894 45.100 -0.111 0.000 0.625 3042 G HN 0.404 nan 8.290 nan 0.000 0.501 3043 F N 1.574 121.491 119.950 -0.054 0.000 2.411 3043 F HA 0.715 5.155 4.527 -0.144 0.000 0.350 3043 F C 1.456 177.229 175.800 -0.045 0.000 1.114 3043 F CA 0.007 57.967 58.000 -0.067 0.000 1.135 3043 F CB 1.681 40.628 39.000 -0.088 0.000 1.120 3043 F HN 0.161 nan 8.300 nan 0.000 0.495 3044 A N 2.132 124.993 122.820 0.069 0.000 1.872 3044 A HA -0.120 4.113 4.320 -0.146 0.000 0.214 3044 A C 1.190 178.796 177.584 0.036 0.000 1.187 3044 A CA 0.627 52.681 52.037 0.029 0.000 0.614 3044 A CB -0.551 18.445 19.000 -0.007 0.000 0.826 3044 A HN 0.659 nan 8.150 nan 0.000 0.442 3045 Q N 1.235 121.076 119.800 0.068 0.000 2.262 3045 Q HA 0.287 4.539 4.340 -0.146 0.000 0.272 3045 Q C -2.565 173.456 176.000 0.035 0.000 1.076 3045 Q CA -1.778 54.048 55.803 0.038 0.000 0.905 3045 Q CB 0.175 28.953 28.738 0.067 0.000 1.182 3045 Q HN 0.278 nan 8.270 nan 0.000 0.390 3046 P HA 0.097 nan 4.420 nan 0.000 0.274 3046 P C -1.213 176.146 177.300 0.097 0.000 1.246 3046 P CA -0.454 62.635 63.100 -0.019 0.000 0.795 3046 P CB 0.769 32.326 31.700 -0.239 0.000 1.006 3047 V N 0.938 120.961 119.914 0.182 0.000 2.417 3047 V HA 0.522 4.555 4.120 -0.146 0.000 0.291 3047 V C 0.230 176.514 176.094 0.317 0.000 1.024 3047 V CA -0.859 61.577 62.300 0.227 0.000 0.861 3047 V CB 1.036 32.959 31.823 0.167 0.000 0.985 3047 V HN 0.652 nan 8.190 nan 0.000 0.436 3048 A N 6.931 129.952 122.820 0.335 0.000 2.347 3048 A HA 0.695 4.927 4.320 -0.146 0.000 0.287 3048 A C -0.337 177.215 177.584 -0.054 0.000 1.199 3048 A CA -0.081 52.026 52.037 0.117 0.000 0.851 3048 A CB -0.212 18.965 19.000 0.295 0.000 1.118 3048 A HN 0.779 nan 8.150 nan 0.000 0.525 3049 I N 2.628 122.972 120.570 -0.375 0.000 2.378 3049 I HA 0.418 4.500 4.170 -0.146 0.000 0.291 3049 I C -1.162 174.523 176.117 -0.721 0.000 0.992 3049 I CA -0.287 60.758 61.300 -0.425 0.000 1.154 3049 I CB 1.492 39.315 38.000 -0.294 0.000 1.315 3049 I HN 0.541 nan 8.210 nan 0.000 0.448 3050 F N 6.525 126.316 119.950 -0.265 0.000 2.493 3050 F HA 0.561 4.999 4.527 -0.148 0.000 0.329 3050 F C -0.359 175.286 175.800 -0.259 0.000 1.126 3050 F CA -0.620 57.270 58.000 -0.183 0.000 0.937 3050 F CB 1.423 40.391 39.000 -0.053 0.000 1.146 3050 F HN 0.092 nan 8.300 nan 0.000 0.442 3051 L N 2.661 123.816 121.223 -0.112 0.000 2.325 3051 L HA 0.667 4.919 4.340 -0.146 0.000 0.281 3051 L C 0.520 177.313 176.870 -0.129 0.000 1.004 3051 L CA -0.937 53.794 54.840 -0.182 0.000 0.823 3051 L CB 1.679 43.503 42.059 -0.393 0.000 1.236 3051 L HN 0.908 nan 8.230 nan 0.000 0.415 3052 G N 3.684 112.437 108.800 -0.078 0.000 2.291 3052 G HA2 -0.225 3.647 3.960 -0.146 0.000 0.271 3052 G HA3 -0.225 3.647 3.960 -0.146 0.000 0.271 3052 G C -0.223 174.745 174.900 0.113 0.000 1.099 3052 G CA -0.466 44.578 45.100 -0.093 0.000 0.919 3052 G HN 0.507 nan 8.290 nan 0.000 0.496 3053 I N 2.013 122.641 120.570 0.097 0.000 2.416 3053 I HA 0.250 4.333 4.170 -0.146 0.000 0.288 3053 I C -1.447 174.669 176.117 -0.002 0.000 1.051 3053 I CA -2.104 59.208 61.300 0.019 0.000 1.375 3053 I CB 1.266 39.189 38.000 -0.129 0.000 1.407 3053 I HN 0.022 nan 8.210 nan 0.000 0.516 3054 P HA 0.094 nan 4.420 nan 0.000 0.287 3054 P C -0.291 176.851 177.300 -0.263 0.000 1.281 3054 P CA -0.182 62.680 63.100 -0.397 0.000 0.781 3054 P CB 0.660 32.139 31.700 -0.367 0.000 0.903 3055 F N 1.489 121.212 119.950 -0.378 0.000 2.682 3055 F HA 0.743 5.183 4.527 -0.144 0.000 0.308 3055 F C 0.007 175.798 175.800 -0.015 0.000 1.093 3055 F CA -0.950 56.876 58.000 -0.290 0.000 1.244 3055 F CB 0.162 38.884 39.000 -0.463 0.000 1.052 3055 F HN 0.367 nan 8.300 nan 0.000 0.573 3056 A N 0.492 123.030 122.820 -0.472 0.000 2.599 3056 A HA 0.497 4.730 4.320 -0.146 0.000 0.290 3056 A C -1.310 176.087 177.584 -0.312 0.000 1.101 3056 A CA -1.145 50.717 52.037 -0.292 0.000 0.674 3056 A CB 0.860 19.644 19.000 -0.359 0.000 1.277 3056 A HN 0.186 nan 8.150 nan 0.000 0.419 3057 K N 0.706 120.992 120.400 -0.189 0.000 2.298 3057 K HA 0.420 4.653 4.320 -0.146 0.000 0.280 3057 K C -2.434 174.039 176.600 -0.212 0.000 1.032 3057 K CA -1.510 54.673 56.287 -0.173 0.000 0.958 3057 K CB 0.351 32.787 32.500 -0.107 0.000 0.978 3057 K HN 0.326 nan 8.250 nan 0.000 0.472 3058 P HA -0.035 nan 4.420 nan 0.000 0.260 3058 P C -2.406 174.797 177.300 -0.161 0.000 1.185 3058 P CA -0.745 62.238 63.100 -0.195 0.000 0.763 3058 P CB 0.196 31.812 31.700 -0.141 0.000 0.776 3059 P HA 0.053 nan 4.420 nan 0.000 0.231 3059 P C -0.650 176.555 177.300 -0.158 0.000 1.756 3059 P CA 0.460 63.462 63.100 -0.163 0.000 0.990 3059 P CB 0.022 31.624 31.700 -0.163 0.000 1.973 3060 L N 0.102 121.243 121.223 -0.135 0.000 2.352 3060 L HA 0.568 4.821 4.340 -0.146 0.000 0.269 3060 L C 1.693 178.493 176.870 -0.118 0.000 1.034 3060 L CA -0.297 54.473 54.840 -0.117 0.000 0.806 3060 L CB 0.779 42.783 42.059 -0.092 0.000 1.244 3060 L HN 0.311 nan 8.230 nan 0.000 0.447 3061 G N 1.914 110.648 108.800 -0.110 0.000 2.665 3061 G HA2 -0.303 3.570 3.960 -0.146 0.000 0.326 3061 G HA3 -0.303 3.570 3.960 -0.146 0.000 0.326 3061 G C -1.210 173.616 174.900 -0.123 0.000 1.231 3061 G CA 0.399 45.438 45.100 -0.103 0.000 0.992 3061 G HN 0.622 nan 8.290 nan 0.000 0.549 3062 P HA 0.052 nan 4.420 nan 0.000 0.225 3062 P C 1.966 179.200 177.300 -0.111 0.000 1.148 3062 P CA 1.265 64.320 63.100 -0.075 0.000 0.779 3062 P CB -0.109 31.568 31.700 -0.037 0.000 0.780 3063 L N -1.111 120.029 121.223 -0.139 0.000 2.552 3063 L HA 0.077 4.330 4.340 -0.146 0.000 0.227 3063 L C 1.789 178.493 176.870 -0.276 0.000 1.146 3063 L CA -0.057 54.681 54.840 -0.171 0.000 0.858 3063 L CB -0.468 41.506 42.059 -0.142 0.000 0.969 3063 L HN -0.044 nan 8.230 nan 0.000 0.451 3064 R N 0.691 120.983 120.500 -0.346 0.000 2.537 3064 R HA -0.037 4.216 4.340 -0.146 0.000 0.280 3064 R C -0.170 175.707 176.300 -0.707 0.000 1.058 3064 R CA -0.096 55.630 56.100 -0.625 0.000 1.057 3064 R CB 0.225 30.050 30.300 -0.791 0.000 0.973 3064 R HN 0.060 nan 8.270 nan 0.000 0.438 3065 F N 0.011 119.603 119.950 -0.597 0.000 3.074 3065 F HA -0.266 4.177 4.527 -0.140 0.000 0.289 3065 F C 0.091 174.969 175.800 -1.536 0.000 0.863 3065 F CA 1.331 58.658 58.000 -1.121 0.000 1.121 3065 F CB -2.707 36.093 39.000 -0.334 0.000 1.169 3065 F HN 0.645 nan 8.300 nan 0.000 0.570 3066 T N -3.509 110.369 114.554 -1.126 0.000 2.896 3066 T HA 0.788 5.051 4.350 -0.146 0.000 0.297 3066 T C -2.930 171.547 174.700 -0.371 0.000 1.108 3066 T CA -2.498 59.177 62.100 -0.708 0.000 1.004 3066 T CB 3.304 72.007 68.868 -0.274 0.000 1.159 3066 T HN -0.240 nan 8.240 nan 0.000 0.499 3067 P HA 0.225 nan 4.420 nan 0.000 0.267 3067 P C -2.317 175.034 177.300 0.085 0.000 1.200 3067 P CA -0.833 62.389 63.100 0.202 0.000 0.772 3067 P CB -0.338 31.493 31.700 0.218 0.000 0.855 3068 P HA 0.051 nan 4.420 nan 0.000 0.269 3068 P C -0.736 176.601 177.300 0.062 0.000 1.209 3068 P CA 0.245 63.384 63.100 0.064 0.000 0.776 3068 P CB 0.795 32.570 31.700 0.126 0.000 0.876 3069 Q N 2.375 122.185 119.800 0.016 0.000 2.297 3069 Q HA 0.470 4.723 4.340 -0.146 0.000 0.268 3069 Q C -2.314 173.705 176.000 0.033 0.000 1.045 3069 Q CA -2.213 53.606 55.803 0.027 0.000 0.861 3069 Q CB 1.038 29.773 28.738 -0.004 0.000 1.344 3069 Q HN 0.349 nan 8.270 nan 0.000 0.452 3070 P HA -0.005 nan 4.420 nan 0.000 0.268 3070 P C -1.264 176.027 177.300 -0.015 0.000 1.205 3070 P CA 0.108 63.262 63.100 0.091 0.000 0.771 3070 P CB 0.492 32.266 31.700 0.122 0.000 0.858 3071 A N 2.930 125.723 122.820 -0.044 0.000 2.445 3071 A HA 0.143 4.375 4.320 -0.146 0.000 0.242 3071 A C 0.390 177.770 177.584 -0.340 0.000 1.075 3071 A CA -0.231 51.719 52.037 -0.145 0.000 0.777 3071 A CB -0.117 18.882 19.000 -0.001 0.000 1.013 3071 A HN 0.448 nan 8.150 nan 0.000 0.493 3072 E N 2.630 122.735 120.200 -0.158 0.000 2.338 3072 E HA 0.262 4.524 4.350 -0.146 0.000 0.272 3072 E C -2.152 174.393 176.600 -0.092 0.000 1.029 3072 E CA -1.669 54.653 56.400 -0.129 0.000 0.872 3072 E CB 0.278 29.959 29.700 -0.032 0.000 1.015 3072 E HN 0.496 nan 8.360 nan 0.000 0.417 3073 P HA 0.059 nan 4.420 nan 0.000 0.269 3073 P C -0.746 176.573 177.300 0.032 0.000 1.209 3073 P CA -0.183 62.825 63.100 -0.153 0.000 0.776 3073 P CB 0.287 31.917 31.700 -0.117 0.000 0.876 3074 W N 0.964 122.271 121.300 0.012 0.000 2.639 3074 W HA 0.611 5.187 4.660 -0.139 0.000 0.347 3074 W C 0.612 177.090 176.519 -0.070 0.000 1.067 3074 W CA -0.625 56.707 57.345 -0.021 0.000 1.218 3074 W CB -0.168 29.304 29.460 0.019 0.000 1.393 3074 W HN 0.163 nan 8.180 nan 0.000 0.557 3075 S N 1.025 116.754 115.700 0.047 0.000 2.341 3075 S HA 0.005 4.387 4.470 -0.146 0.000 0.204 3075 S C 1.078 175.535 174.600 -0.238 0.000 1.038 3075 S CA 0.690 58.717 58.200 -0.288 0.000 1.013 3075 S CB -0.568 62.212 63.200 -0.701 0.000 0.994 3075 S HN 0.471 nan 8.310 nan 0.000 0.430 3076 F N 1.076 121.142 119.950 0.193 0.000 2.170 3076 F HA 0.245 4.684 4.527 -0.147 0.000 0.180 3076 F C 0.672 176.617 175.800 0.242 0.000 0.656 3076 F CA -0.443 57.657 58.000 0.166 0.000 1.090 3076 F CB -0.421 38.646 39.000 0.112 0.000 2.240 3076 F HN -0.047 nan 8.300 nan 0.000 0.687 3077 V N 0.677 120.847 119.914 0.427 0.000 2.394 3077 V HA 0.199 4.232 4.120 -0.146 0.000 0.282 3077 V C -0.237 175.995 176.094 0.230 0.000 1.031 3077 V CA -1.035 61.452 62.300 0.312 0.000 0.881 3077 V CB 1.217 33.166 31.823 0.210 0.000 0.982 3077 V HN 0.331 nan 8.190 nan 0.000 0.451 3078 K N 4.239 124.753 120.400 0.190 0.000 2.262 3078 K HA 0.273 4.505 4.320 -0.146 0.000 0.282 3078 K C -0.073 176.522 176.600 -0.007 0.000 1.066 3078 K CA -0.575 55.677 56.287 -0.058 0.000 0.901 3078 K CB 0.325 32.516 32.500 -0.514 0.000 1.089 3078 K HN 0.595 nan 8.250 nan 0.000 0.476 3079 N N 2.672 121.355 118.700 -0.028 0.000 2.427 3079 N HA 0.011 4.663 4.740 -0.146 0.000 0.269 3079 N C -0.811 174.665 175.510 -0.056 0.000 1.235 3079 N CA 0.192 53.224 53.050 -0.029 0.000 0.934 3079 N CB 1.154 39.612 38.487 -0.047 0.000 1.121 3079 N HN 0.571 nan 8.380 nan 0.000 0.480 3080 A N 2.090 124.904 122.820 -0.009 0.000 3.173 3080 A HA 0.291 4.524 4.320 -0.146 0.000 0.304 3080 A C 0.705 178.231 177.584 -0.096 0.000 1.318 3080 A CA -0.567 51.460 52.037 -0.017 0.000 1.069 3080 A CB -0.448 18.639 19.000 0.145 0.000 1.147 3080 A HN 0.555 nan 8.150 nan 0.000 0.547 3081 T N -2.618 111.846 114.554 -0.151 0.000 3.231 3081 T HA 0.389 4.652 4.350 -0.146 0.000 0.292 3081 T C 0.214 174.760 174.700 -0.258 0.000 1.001 3081 T CA 0.360 62.335 62.100 -0.209 0.000 0.920 3081 T CB -0.608 68.159 68.868 -0.168 0.000 1.140 3081 T HN 0.864 nan 8.240 nan 0.000 0.525 3082 S N 0.296 115.832 115.700 -0.272 0.000 2.546 3082 S HA 0.666 5.048 4.470 -0.146 0.000 0.274 3082 S C -1.084 173.330 174.600 -0.311 0.000 1.121 3082 S CA -0.939 57.090 58.200 -0.285 0.000 0.887 3082 S CB 0.807 63.909 63.200 -0.165 0.000 1.094 3082 S HN 0.169 nan 8.310 nan 0.000 0.474 3083 Y N 3.220 123.450 120.300 -0.117 0.000 2.721 3083 Y HA 0.243 4.702 4.550 -0.151 0.000 0.329 3083 Y C -1.411 174.373 175.900 -0.194 0.000 1.211 3083 Y CA -0.821 57.203 58.100 -0.126 0.000 1.512 3083 Y CB -0.019 38.386 38.460 -0.091 0.000 1.249 3083 Y HN 0.522 nan 8.280 nan 0.000 0.549 3084 P HA 0.175 nan 4.420 nan 0.000 0.274 3084 P C -2.696 174.505 177.300 -0.165 0.000 1.246 3084 P CA -1.630 61.278 63.100 -0.319 0.000 0.795 3084 P CB 0.669 32.090 31.700 -0.466 0.000 1.006 3085 P HA 0.190 nan 4.420 nan 0.000 0.272 3085 P C 0.016 177.263 177.300 -0.088 0.000 1.223 3085 P CA 0.010 63.037 63.100 -0.121 0.000 0.784 3085 P CB 0.221 31.849 31.700 -0.122 0.000 0.923 3086 M N 0.356 119.895 119.600 -0.101 0.000 2.288 3086 M HA 0.426 4.819 4.480 -0.146 0.000 0.334 3086 M C -0.522 175.697 176.300 -0.135 0.000 1.150 3086 M CA -0.521 54.715 55.300 -0.108 0.000 1.118 3086 M CB 0.304 32.826 32.600 -0.130 0.000 1.501 3086 M HN 0.133 nan 8.290 nan 0.000 0.462 3087 c N 1.661 120.174 118.600 -0.144 0.000 2.703 3087 c HA 0.138 4.621 4.570 -0.146 0.000 0.411 3087 c C 0.987 174.898 174.090 -0.298 0.000 1.290 3087 c CA -0.221 55.974 56.329 -0.223 0.000 2.054 3087 c CB -0.209 42.187 42.510 -0.190 0.000 2.732 3087 c HN 0.855 nan 8.230 nan 0.000 0.650 3088 T N 4.168 118.401 114.554 -0.534 0.000 2.905 3088 T HA 0.284 4.547 4.350 -0.146 0.000 0.299 3088 T C 0.006 174.496 174.700 -0.349 0.000 1.024 3088 T CA 0.480 62.213 62.100 -0.613 0.000 1.151 3088 T CB -0.197 67.886 68.868 -1.309 0.000 0.987 3088 T HN 0.873 nan 8.240 nan 0.000 0.535 3089 Q N 1.072 120.798 119.800 -0.124 0.000 2.804 3089 Q HA 0.308 4.561 4.340 -0.146 0.000 0.302 3089 Q C -1.624 174.409 176.000 0.055 0.000 0.885 3089 Q CA -1.163 54.662 55.803 0.037 0.000 0.759 3089 Q CB 0.898 29.645 28.738 0.014 0.000 1.465 3089 Q HN 0.382 nan 8.270 nan 0.000 0.432 3090 D N 2.185 122.642 120.400 0.096 0.000 2.502 3090 D HA 0.013 4.565 4.640 -0.146 0.000 0.249 3090 D C -1.271 175.046 176.300 0.028 0.000 1.188 3090 D CA -1.157 52.889 54.000 0.078 0.000 0.890 3090 D CB 1.051 41.905 40.800 0.089 0.000 1.140 3090 D HN 0.312 nan 8.370 nan 0.000 0.505 3091 P HA -0.136 nan 4.420 nan 0.000 0.219 3091 P C 1.155 178.446 177.300 -0.015 0.000 1.150 3091 P CA 0.863 63.956 63.100 -0.012 0.000 0.814 3091 P CB 0.542 32.234 31.700 -0.014 0.000 0.787 3092 K N 0.672 121.070 120.400 -0.004 0.000 1.984 3092 K HA -0.011 4.221 4.320 -0.146 0.000 0.209 3092 K C 2.369 178.958 176.600 -0.018 0.000 1.046 3092 K CA 1.736 58.017 56.287 -0.010 0.000 0.934 3092 K CB -1.243 31.256 32.500 -0.002 0.000 0.717 3092 K HN -0.059 nan 8.250 nan 0.000 0.438 3093 A N 0.075 122.890 122.820 -0.008 0.000 1.933 3093 A HA -0.073 4.160 4.320 -0.146 0.000 0.218 3093 A C 2.332 179.896 177.584 -0.034 0.000 1.175 3093 A CA 2.040 54.066 52.037 -0.019 0.000 0.628 3093 A CB -1.258 17.746 19.000 0.007 0.000 0.814 3093 A HN 0.463 nan 8.150 nan 0.000 0.444 3094 G N -0.872 107.913 108.800 -0.025 0.000 2.404 3094 G HA2 -0.206 3.667 3.960 -0.146 0.000 0.215 3094 G HA3 -0.206 3.667 3.960 -0.146 0.000 0.215 3094 G C 1.594 176.454 174.900 -0.067 0.000 1.174 3094 G CA 0.924 45.999 45.100 -0.042 0.000 0.780 3094 G HN 0.631 nan 8.290 nan 0.000 0.537 3095 Q N -0.628 119.135 119.800 -0.062 0.000 2.167 3095 Q HA 0.008 4.261 4.340 -0.146 0.000 0.202 3095 Q C 2.439 178.395 176.000 -0.072 0.000 0.970 3095 Q CA 0.755 56.516 55.803 -0.070 0.000 0.855 3095 Q CB -0.201 28.504 28.738 -0.056 0.000 0.911 3095 Q HN 0.406 nan 8.270 nan 0.000 0.438 3096 L N 0.507 121.690 121.223 -0.067 0.000 2.027 3096 L HA -0.127 4.126 4.340 -0.146 0.000 0.206 3096 L C 1.987 178.787 176.870 -0.115 0.000 1.074 3096 L CA 1.434 56.230 54.840 -0.072 0.000 0.745 3096 L CB -0.606 41.413 42.059 -0.067 0.000 0.898 3096 L HN 0.193 nan 8.230 nan 0.000 0.433 3097 L N -1.271 119.863 121.223 -0.147 0.000 2.093 3097 L HA -0.136 4.117 4.340 -0.146 0.000 0.208 3097 L C 2.661 179.401 176.870 -0.217 0.000 1.085 3097 L CA 1.903 56.593 54.840 -0.250 0.000 0.755 3097 L CB -0.749 41.195 42.059 -0.193 0.000 0.904 3097 L HN 0.390 nan 8.230 nan 0.000 0.435 3098 S N -0.623 114.992 115.700 -0.142 0.000 2.359 3098 S HA -0.230 4.153 4.470 -0.146 0.000 0.224 3098 S C 1.865 176.389 174.600 -0.127 0.000 1.035 3098 S CA 1.677 59.786 58.200 -0.151 0.000 1.018 3098 S CB -0.263 62.842 63.200 -0.158 0.000 0.876 3098 S HN 0.602 nan 8.310 nan 0.000 0.448 3099 E N 0.299 120.445 120.200 -0.091 0.000 2.204 3099 E HA -0.097 4.165 4.350 -0.146 0.000 0.195 3099 E C 1.995 178.610 176.600 0.024 0.000 0.990 3099 E CA 0.995 57.370 56.400 -0.040 0.000 0.821 3099 E CB -0.160 29.526 29.700 -0.024 0.000 0.750 3099 E HN 0.491 nan 8.360 nan 0.000 0.477 3100 L N -0.594 120.629 121.223 0.001 0.000 2.209 3100 L HA -0.039 4.214 4.340 -0.146 0.000 0.207 3100 L C 1.734 178.801 176.870 0.328 0.000 1.094 3100 L CA 0.442 55.346 54.840 0.108 0.000 0.790 3100 L CB 0.038 42.059 42.059 -0.063 0.000 0.932 3100 L HN 0.111 nan 8.230 nan 0.000 0.447 3101 F N -0.740 119.208 119.950 -0.004 0.000 2.714 3101 F HA 0.123 4.562 4.527 -0.146 0.000 0.294 3101 F C 1.613 177.148 175.800 -0.442 0.000 1.120 3101 F CA -0.434 57.465 58.000 -0.170 0.000 1.398 3101 F CB -0.722 38.215 39.000 -0.105 0.000 1.120 3101 F HN -0.164 nan 8.300 nan 0.000 0.589 3102 T N 2.065 116.506 114.554 -0.188 0.000 2.946 3102 T HA -0.041 4.222 4.350 -0.146 0.000 0.311 3102 T C 1.244 175.784 174.700 -0.267 0.000 1.063 3102 T CA 0.092 61.985 62.100 -0.344 0.000 1.139 3102 T CB 0.283 69.001 68.868 -0.250 0.000 0.994 3102 T HN 0.381 nan 8.240 nan 0.000 0.547 3103 N N 3.650 122.141 118.700 -0.349 0.000 2.205 3103 N HA 0.036 4.689 4.740 -0.146 0.000 0.201 3103 N C 0.263 175.652 175.510 -0.202 0.000 1.128 3103 N CA -0.434 52.453 53.050 -0.272 0.000 0.867 3103 N CB 0.122 38.432 38.487 -0.295 0.000 0.996 3103 N HN 0.712 nan 8.380 nan 0.000 0.503 3104 R N 0.824 121.218 120.500 -0.175 0.000 2.536 3104 R HA 0.353 4.606 4.340 -0.146 0.000 0.279 3104 R C 1.099 177.353 176.300 -0.076 0.000 1.001 3104 R CA -0.754 55.279 56.100 -0.111 0.000 1.027 3104 R CB 1.253 31.492 30.300 -0.101 0.000 1.096 3104 R HN -0.114 nan 8.270 nan 0.000 0.502 3105 K N 1.100 121.477 120.400 -0.038 0.000 2.032 3105 K HA -0.216 4.017 4.320 -0.146 0.000 0.218 3105 K C -0.262 176.331 176.600 -0.010 0.000 1.054 3105 K CA 1.596 57.877 56.287 -0.009 0.000 0.941 3105 K CB -0.261 32.247 32.500 0.013 0.000 0.720 3105 K HN 0.682 nan 8.250 nan 0.000 0.449 3106 E N 1.355 121.542 120.200 -0.022 0.000 2.176 3106 E HA 0.171 4.433 4.350 -0.146 0.000 0.267 3106 E C -1.106 175.456 176.600 -0.064 0.000 0.893 3106 E CA -0.935 55.448 56.400 -0.029 0.000 0.761 3106 E CB 1.304 30.994 29.700 -0.017 0.000 1.133 3106 E HN 0.170 nan 8.360 nan 0.000 0.409 3107 N N 3.412 122.070 118.700 -0.069 0.000 2.483 3107 N HA 0.042 4.695 4.740 -0.146 0.000 0.264 3107 N C -0.712 174.724 175.510 -0.123 0.000 1.197 3107 N CA 0.200 53.184 53.050 -0.109 0.000 0.927 3107 N CB 0.513 38.946 38.487 -0.089 0.000 1.065 3107 N HN 0.460 nan 8.380 nan 0.000 0.461 3108 I N 5.237 125.692 120.570 -0.191 0.000 2.365 3108 I HA 0.231 4.313 4.170 -0.146 0.000 0.291 3108 I C -1.638 174.372 176.117 -0.178 0.000 1.004 3108 I CA -1.816 59.361 61.300 -0.204 0.000 1.311 3108 I CB 1.388 39.156 38.000 -0.387 0.000 1.401 3108 I HN 0.383 nan 8.210 nan 0.000 0.491 3109 P HA 0.237 nan 4.420 nan 0.000 0.271 3109 P C -1.084 176.153 177.300 -0.105 0.000 1.216 3109 P CA -0.032 63.011 63.100 -0.095 0.000 0.776 3109 P CB 1.114 32.777 31.700 -0.062 0.000 0.881 3110 L N 1.902 123.063 121.223 -0.103 0.000 2.354 3110 L HA 0.482 4.734 4.340 -0.146 0.000 0.269 3110 L C 0.502 177.321 176.870 -0.084 0.000 1.005 3110 L CA -1.219 53.560 54.840 -0.101 0.000 0.819 3110 L CB 2.051 44.035 42.059 -0.125 0.000 1.311 3110 L HN 0.215 nan 8.230 nan 0.000 0.423 3111 K N 1.517 121.868 120.400 -0.082 0.000 2.087 3111 K HA 0.655 4.888 4.320 -0.146 0.000 0.255 3111 K C -0.962 175.579 176.600 -0.098 0.000 0.988 3111 K CA -0.193 56.045 56.287 -0.082 0.000 0.915 3111 K CB 1.060 33.512 32.500 -0.080 0.000 1.043 3111 K HN 0.357 nan 8.250 nan 0.000 0.457 3112 L N 0.898 122.059 121.223 -0.102 0.000 2.325 3112 L HA 0.615 4.867 4.340 -0.146 0.000 0.278 3112 L C -0.146 176.634 176.870 -0.151 0.000 1.023 3112 L CA -0.568 54.192 54.840 -0.134 0.000 0.811 3112 L CB 1.848 43.830 42.059 -0.129 0.000 1.249 3112 L HN 0.565 nan 8.230 nan 0.000 0.431 3113 S N 0.379 115.960 115.700 -0.199 0.000 2.578 3113 S HA 0.213 4.595 4.470 -0.146 0.000 0.272 3113 S C -0.004 174.426 174.600 -0.283 0.000 1.145 3113 S CA -0.577 57.502 58.200 -0.201 0.000 0.835 3113 S CB 1.564 64.688 63.200 -0.126 0.000 1.104 3113 S HN 0.756 nan 8.310 nan 0.000 0.458 3114 E N 0.662 120.693 120.200 -0.282 0.000 2.299 3114 E HA -0.020 4.243 4.350 -0.146 0.000 0.193 3114 E C -0.328 176.151 176.600 -0.202 0.000 0.998 3114 E CA 0.351 56.551 56.400 -0.333 0.000 0.851 3114 E CB 0.108 29.657 29.700 -0.252 0.000 0.795 3114 E HN 0.518 nan 8.360 nan 0.000 0.492 3115 D N 0.625 120.949 120.400 -0.127 0.000 2.558 3115 D HA -0.009 4.543 4.640 -0.146 0.000 0.221 3115 D C 0.169 176.513 176.300 0.074 0.000 1.143 3115 D CA -0.272 53.697 54.000 -0.053 0.000 1.010 3115 D CB -0.204 40.588 40.800 -0.013 0.000 1.068 3115 D HN 0.152 nan 8.370 nan 0.000 0.511 3116 c N 1.631 120.233 118.600 0.004 0.000 3.642 3116 c HA 0.381 4.864 4.570 -0.146 0.000 0.305 3116 c C 0.946 175.086 174.090 0.084 0.000 1.492 3116 c CA -0.684 55.723 56.329 0.130 0.000 1.809 3116 c CB -1.288 41.213 42.510 -0.015 0.000 2.639 3116 c HN 0.397 nan 8.230 nan 0.000 0.672 3117 L N 2.506 123.548 121.223 -0.302 0.000 2.400 3117 L HA 0.295 4.548 4.340 -0.146 0.000 0.262 3117 L C -0.735 175.557 176.870 -0.963 0.000 1.309 3117 L CA 0.776 55.247 54.840 -0.614 0.000 1.186 3117 L CB -0.956 40.587 42.059 -0.861 0.000 1.375 3117 L HN 0.413 nan 8.230 nan 0.000 0.433 3118 Y N 1.967 122.216 120.300 -0.085 0.000 2.634 3118 Y HA 0.712 5.169 4.550 -0.156 0.000 0.340 3118 Y C -0.145 175.910 175.900 0.259 0.000 1.058 3118 Y CA -1.282 56.837 58.100 0.032 0.000 1.081 3118 Y CB 1.896 40.331 38.460 -0.043 0.000 1.295 3118 Y HN 0.168 nan 8.280 nan 0.000 0.487 3119 L N -0.362 121.036 121.223 0.292 0.000 2.465 3119 L HA 0.731 4.984 4.340 -0.146 0.000 0.257 3119 L C -1.582 175.331 176.870 0.071 0.000 0.988 3119 L CA -1.202 53.730 54.840 0.153 0.000 0.827 3119 L CB 1.781 43.833 42.059 -0.012 0.000 1.397 3119 L HN 0.419 nan 8.230 nan 0.000 0.410 3120 N N 1.768 120.536 118.700 0.114 0.000 2.361 3120 N HA 0.721 5.373 4.740 -0.146 0.000 0.302 3120 N C -1.169 174.358 175.510 0.027 0.000 1.074 3120 N CA -0.218 52.862 53.050 0.049 0.000 0.850 3120 N CB 2.548 41.122 38.487 0.146 0.000 1.228 3120 N HN 0.699 nan 8.380 nan 0.000 0.491 3121 I N 1.893 122.384 120.570 -0.132 0.000 2.465 3121 I HA 0.324 4.406 4.170 -0.146 0.000 0.291 3121 I C -1.120 174.886 176.117 -0.184 0.000 1.014 3121 I CA -0.755 60.508 61.300 -0.061 0.000 1.093 3121 I CB 1.178 39.061 38.000 -0.195 0.000 1.267 3121 I HN 0.333 nan 8.210 nan 0.000 0.431 3122 Y N 3.369 123.791 120.300 0.203 0.000 2.363 3122 Y HA 0.407 4.868 4.550 -0.149 0.000 0.325 3122 Y C 0.227 176.255 175.900 0.212 0.000 0.984 3122 Y CA -0.747 57.472 58.100 0.199 0.000 1.248 3122 Y CB 2.029 40.587 38.460 0.162 0.000 1.116 3122 Y HN 0.359 nan 8.280 nan 0.000 0.470 3123 T N 4.880 119.645 114.554 0.351 0.000 2.841 3123 T HA 0.375 4.638 4.350 -0.146 0.000 0.285 3123 T C -2.306 172.556 174.700 0.269 0.000 0.991 3123 T CA -2.317 59.972 62.100 0.315 0.000 0.966 3123 T CB 1.515 70.609 68.868 0.377 0.000 0.962 3123 T HN 0.373 nan 8.240 nan 0.000 0.438 3124 P HA 0.288 nan 4.420 nan 0.000 0.261 3124 P C 0.382 177.769 177.300 0.144 0.000 1.268 3124 P CA -0.154 63.034 63.100 0.145 0.000 0.833 3124 P CB 0.098 31.848 31.700 0.083 0.000 1.231 3125 A N 0.958 123.878 122.820 0.168 0.000 2.406 3125 A HA 0.128 4.360 4.320 -0.146 0.000 0.243 3125 A C 0.259 177.937 177.584 0.155 0.000 1.082 3125 A CA -0.026 52.098 52.037 0.145 0.000 0.786 3125 A CB -0.280 18.808 19.000 0.147 0.000 1.029 3125 A HN -0.018 nan 8.150 nan 0.000 0.495 3126 D N 1.848 122.317 120.400 0.114 0.000 2.393 3126 D HA 0.223 4.775 4.640 -0.146 0.000 0.232 3126 D C 0.903 177.272 176.300 0.116 0.000 1.192 3126 D CA -0.092 53.972 54.000 0.106 0.000 0.882 3126 D CB 0.273 41.111 40.800 0.064 0.000 1.038 3126 D HN 0.436 nan 8.370 nan 0.000 0.499 3127 L N 2.842 124.162 121.223 0.163 0.000 2.450 3127 L HA -0.112 4.141 4.340 -0.146 0.000 0.224 3127 L C 2.254 179.178 176.870 0.089 0.000 1.149 3127 L CA 1.116 56.036 54.840 0.133 0.000 0.816 3127 L CB -0.540 41.630 42.059 0.184 0.000 0.932 3127 L HN 0.457 nan 8.230 nan 0.000 0.449 3128 T N -3.738 110.870 114.554 0.089 0.000 3.148 3128 T HA 0.058 4.321 4.350 -0.146 0.000 0.253 3128 T C 0.776 175.500 174.700 0.040 0.000 1.134 3128 T CA 0.222 62.359 62.100 0.062 0.000 1.051 3128 T CB 0.160 69.063 68.868 0.059 0.000 0.959 3128 T HN 0.211 nan 8.240 nan 0.000 0.525 3129 K N -0.035 120.390 120.400 0.041 0.000 2.261 3129 K HA 0.516 4.748 4.320 -0.146 0.000 0.242 3129 K C -0.655 175.959 176.600 0.024 0.000 1.083 3129 K CA -1.100 55.204 56.287 0.028 0.000 0.880 3129 K CB 1.152 33.669 32.500 0.030 0.000 1.353 3129 K HN -0.238 nan 8.250 nan 0.000 0.486 3130 K N 2.391 122.801 120.400 0.017 0.000 2.360 3130 K HA 0.220 4.453 4.320 -0.146 0.000 0.235 3130 K C -1.123 175.488 176.600 0.018 0.000 1.077 3130 K CA -0.185 56.109 56.287 0.011 0.000 1.035 3130 K CB -0.315 32.185 32.500 -0.000 0.000 1.623 3130 K HN 0.505 nan 8.250 nan 0.000 0.462 3131 N N 1.839 120.558 118.700 0.032 0.000 2.483 3131 N HA 0.248 4.901 4.740 -0.146 0.000 0.269 3131 N C 0.027 175.559 175.510 0.037 0.000 1.209 3131 N CA -0.185 52.889 53.050 0.039 0.000 0.969 3131 N CB 0.811 39.333 38.487 0.059 0.000 1.173 3131 N HN 0.258 nan 8.380 nan 0.000 0.475 3132 R N 1.465 121.984 120.500 0.033 0.000 2.701 3132 R HA 0.319 4.571 4.340 -0.146 0.000 0.281 3132 R C -0.465 175.854 176.300 0.031 0.000 1.367 3132 R CA -0.356 55.760 56.100 0.027 0.000 1.510 3132 R CB -0.076 30.228 30.300 0.007 0.000 1.306 3132 R HN 0.480 nan 8.270 nan 0.000 0.682 3133 L N 2.717 123.971 121.223 0.052 0.000 2.452 3133 L HA 0.249 4.502 4.340 -0.146 0.000 0.267 3133 L C -1.576 175.326 176.870 0.054 0.000 1.188 3133 L CA -1.520 53.353 54.840 0.054 0.000 0.821 3133 L CB 0.139 42.245 42.059 0.077 0.000 1.102 3133 L HN -0.072 nan 8.230 nan 0.000 0.470 3134 P HA 0.038 nan 4.420 nan 0.000 0.269 3134 P C -0.906 176.437 177.300 0.072 0.000 1.209 3134 P CA -0.112 63.010 63.100 0.036 0.000 0.776 3134 P CB 0.936 32.642 31.700 0.011 0.000 0.876 3135 V N 4.268 124.237 119.914 0.092 0.000 2.417 3135 V HA 0.377 4.410 4.120 -0.146 0.000 0.291 3135 V C 0.543 176.724 176.094 0.145 0.000 1.024 3135 V CA -0.369 62.012 62.300 0.136 0.000 0.861 3135 V CB 1.188 33.105 31.823 0.158 0.000 0.985 3135 V HN 0.489 nan 8.190 nan 0.000 0.436 3136 M N 4.864 124.570 119.600 0.176 0.000 2.043 3136 M HA 0.455 4.848 4.480 -0.146 0.000 0.322 3136 M C -1.023 175.562 176.300 0.475 0.000 0.962 3136 M CA -0.540 54.882 55.300 0.203 0.000 0.927 3136 M CB 1.853 34.437 32.600 -0.027 0.000 1.466 3136 M HN 0.386 nan 8.290 nan 0.000 0.412 3137 V N 3.710 123.912 119.914 0.480 0.000 2.385 3137 V HA 0.239 4.271 4.120 -0.146 0.000 0.269 3137 V C -0.494 175.907 176.094 0.511 0.000 1.043 3137 V CA -0.506 62.055 62.300 0.435 0.000 0.906 3137 V CB 0.814 32.778 31.823 0.234 0.000 0.995 3137 V HN 0.827 nan 8.190 nan 0.000 0.467 3138 W N 7.090 128.487 121.300 0.162 0.000 2.351 3138 W HA 0.596 5.165 4.660 -0.151 0.000 0.311 3138 W C -1.169 175.245 176.519 -0.176 0.000 1.168 3138 W CA -0.866 56.303 57.345 -0.292 0.000 1.200 3138 W CB 1.238 30.520 29.460 -0.298 0.000 1.221 3138 W HN 0.437 nan 8.180 nan 0.000 0.519 3139 I N 8.093 128.001 120.570 -1.103 0.000 2.405 3139 I HA 0.044 4.127 4.170 -0.146 0.000 0.280 3139 I C 1.026 176.436 176.117 -1.178 0.000 1.027 3139 I CA -0.808 59.991 61.300 -0.836 0.000 1.161 3139 I CB 0.636 38.283 38.000 -0.587 0.000 1.300 3139 I HN 0.411 nan 8.210 nan 0.000 0.463 3140 H N 4.535 123.153 119.070 -0.753 0.000 2.895 3140 H HA 0.255 4.725 4.556 -0.144 0.000 0.371 3140 H C 0.031 175.327 175.328 -0.054 0.000 1.219 3140 H CA -0.104 55.719 56.048 -0.375 0.000 1.431 3140 H CB 0.816 30.675 29.762 0.162 0.000 1.414 3140 H HN 0.593 nan 8.280 nan 0.000 0.617 3141 G N -1.709 107.248 108.800 0.262 0.000 2.642 3141 G HA2 0.475 4.348 3.960 -0.146 0.000 0.291 3141 G HA3 0.475 4.348 3.960 -0.146 0.000 0.291 3141 G C 0.308 175.472 174.900 0.441 0.000 1.345 3141 G CA -0.731 44.539 45.100 0.284 0.000 1.043 3141 G HN 1.233 nan 8.290 nan 0.000 0.528 3142 G N -2.696 106.303 108.800 0.333 0.000 2.223 3142 G HA2 0.399 4.271 3.960 -0.146 0.000 0.200 3142 G HA3 0.399 4.271 3.960 -0.146 0.000 0.200 3142 G C 1.074 176.071 174.900 0.162 0.000 1.061 3142 G CA 0.709 45.962 45.100 0.255 0.000 0.790 3142 G HN 2.315 nan 8.290 nan 0.000 0.498 3143 G N -0.077 108.805 108.800 0.135 0.000 2.212 3143 G HA2 -0.204 3.668 3.960 -0.146 0.000 0.267 3143 G HA3 -0.204 3.668 3.960 -0.146 0.000 0.267 3143 G C 1.184 176.079 174.900 -0.008 0.000 1.002 3143 G CA 0.976 46.108 45.100 0.053 0.000 0.729 3143 G HN 1.817 nan 8.290 nan 0.000 0.517 3144 L N -3.691 117.567 121.223 0.058 0.000 4.937 3144 L HA -0.257 3.996 4.340 -0.146 0.000 0.422 3144 L C 1.953 178.905 176.870 0.136 0.000 1.059 3144 L CA 1.582 56.471 54.840 0.081 0.000 1.111 3144 L CB -1.550 40.295 42.059 -0.357 0.000 2.033 3144 L HN 0.417 nan 8.230 nan 0.000 0.708 3145 M N -1.246 118.410 119.600 0.094 0.000 2.638 3145 M HA 0.325 4.717 4.480 -0.146 0.000 0.256 3145 M C 0.838 177.205 176.300 0.111 0.000 1.282 3145 M CA 1.203 56.557 55.300 0.090 0.000 1.155 3145 M CB 0.506 33.127 32.600 0.034 0.000 1.345 3145 M HN 0.213 nan 8.290 nan 0.000 0.523 3146 V N -2.659 117.321 119.914 0.110 0.000 3.156 3146 V HA 1.055 5.087 4.120 -0.146 0.000 0.310 3146 V C -0.162 176.009 176.094 0.130 0.000 1.234 3146 V CA -0.294 62.056 62.300 0.084 0.000 1.065 3146 V CB 1.181 33.037 31.823 0.054 0.000 1.088 3146 V HN 0.523 nan 8.190 nan 0.000 0.451 3147 G N -0.870 107.952 108.800 0.036 0.000 2.392 3147 G HA2 0.618 4.491 3.960 -0.146 0.000 0.677 3147 G HA3 0.618 4.491 3.960 -0.146 0.000 0.677 3147 G C -0.660 173.962 174.900 -0.463 0.000 1.334 3147 G CA -0.156 44.909 45.100 -0.058 0.000 0.961 3147 G HN 2.728 nan 8.290 nan 0.000 0.616 3148 A N -1.336 120.978 122.820 -0.844 0.000 2.597 3148 A HA 1.019 5.251 4.320 -0.146 0.000 0.292 3148 A C 0.727 178.120 177.584 -0.319 0.000 1.057 3148 A CA 0.824 52.507 52.037 -0.590 0.000 0.674 3148 A CB 0.676 19.526 19.000 -0.251 0.000 1.278 3148 A HN 2.558 nan 8.150 nan 0.000 0.416 3149 A N 0.403 123.210 122.820 -0.022 0.000 1.897 3149 A HA 0.130 4.362 4.320 -0.146 0.000 0.215 3149 A C 2.025 179.756 177.584 0.245 0.000 1.181 3149 A CA 2.344 54.535 52.037 0.256 0.000 0.620 3149 A CB -0.868 18.302 19.000 0.285 0.000 0.821 3149 A HN 1.307 nan 8.150 nan 0.000 0.443 3150 S N 0.096 115.862 115.700 0.110 0.000 2.465 3150 S HA -0.134 4.248 4.470 -0.146 0.000 0.241 3150 S C 1.815 176.317 174.600 -0.164 0.000 1.000 3150 S CA 1.590 59.807 58.200 0.028 0.000 0.964 3150 S CB -0.593 62.541 63.200 -0.109 0.000 0.763 3150 S HN 0.698 nan 8.310 nan 0.000 0.512 3151 T N 0.809 115.234 114.554 -0.215 0.000 2.803 3151 T HA -0.090 4.173 4.350 -0.146 0.000 0.269 3151 T C 0.005 174.280 174.700 -0.709 0.000 1.052 3151 T CA 1.102 62.906 62.100 -0.493 0.000 1.136 3151 T CB -0.289 68.193 68.868 -0.643 0.000 0.864 3151 T HN 0.438 nan 8.240 nan 0.000 0.467 3152 Y N 1.582 121.688 120.300 -0.324 0.000 2.353 3152 Y HA 0.467 4.927 4.550 -0.149 0.000 0.340 3152 Y C -0.005 175.587 175.900 -0.514 0.000 0.972 3152 Y CA -2.274 55.427 58.100 -0.665 0.000 1.157 3152 Y CB 0.441 38.176 38.460 -1.207 0.000 1.157 3152 Y HN -0.103 nan 8.280 nan 0.000 0.495 3153 D N 2.224 122.395 120.400 -0.382 0.000 2.295 3153 D HA 0.196 4.749 4.640 -0.146 0.000 0.248 3153 D C 0.980 176.954 176.300 -0.543 0.000 1.154 3153 D CA -0.128 53.664 54.000 -0.347 0.000 0.857 3153 D CB 1.651 42.354 40.800 -0.162 0.000 1.117 3153 D HN 0.842 nan 8.370 nan 0.000 0.468 3154 G N 3.647 111.684 108.800 -1.271 0.000 2.985 3154 G HA2 -0.070 3.803 3.960 -0.146 0.000 0.209 3154 G HA3 -0.070 3.803 3.960 -0.146 0.000 0.209 3154 G C 1.517 176.162 174.900 -0.425 0.000 1.165 3154 G CA -0.209 44.403 45.100 -0.813 0.000 0.776 3154 G HN 0.548 nan 8.290 nan 0.000 0.541 3155 L N 0.597 121.623 121.223 -0.327 0.000 1.963 3155 L HA -0.208 4.044 4.340 -0.146 0.000 0.220 3155 L C 3.162 180.009 176.870 -0.037 0.000 1.076 3155 L CA 2.073 56.905 54.840 -0.013 0.000 0.772 3155 L CB -0.426 41.666 42.059 0.056 0.000 0.892 3155 L HN 0.337 nan 8.230 nan 0.000 0.435 3156 A N -0.435 122.372 122.820 -0.022 0.000 1.883 3156 A HA -0.281 3.951 4.320 -0.146 0.000 0.217 3156 A C 2.096 179.668 177.584 -0.020 0.000 1.186 3156 A CA 2.014 54.057 52.037 0.010 0.000 0.624 3156 A CB -0.922 18.111 19.000 0.056 0.000 0.822 3156 A HN 0.501 nan 8.150 nan 0.000 0.444 3157 L N -0.376 120.826 121.223 -0.036 0.000 2.083 3157 L HA -0.042 4.211 4.340 -0.146 0.000 0.209 3157 L C 2.577 179.437 176.870 -0.017 0.000 1.083 3157 L CA 2.094 56.904 54.840 -0.050 0.000 0.752 3157 L CB -0.812 41.204 42.059 -0.071 0.000 0.899 3157 L HN 0.358 nan 8.230 nan 0.000 0.433 3158 A N -0.318 122.502 122.820 -0.001 0.000 1.841 3158 A HA -0.056 4.176 4.320 -0.146 0.000 0.214 3158 A C 2.470 180.019 177.584 -0.058 0.000 1.195 3158 A CA 1.889 53.944 52.037 0.030 0.000 0.611 3158 A CB -1.327 17.739 19.000 0.111 0.000 0.835 3158 A HN 0.550 nan 8.150 nan 0.000 0.443 3159 A N -1.343 121.357 122.820 -0.200 0.000 1.902 3159 A HA -0.210 4.023 4.320 -0.146 0.000 0.217 3159 A C 2.092 179.337 177.584 -0.565 0.000 1.181 3159 A CA 1.649 53.373 52.037 -0.522 0.000 0.623 3159 A CB -0.993 17.403 19.000 -1.006 0.000 0.818 3159 A HN 0.697 nan 8.150 nan 0.000 0.443 3160 H N -1.095 117.713 119.070 -0.437 0.000 2.428 3160 H HA -0.003 4.466 4.556 -0.146 0.000 0.296 3160 H C 0.954 176.244 175.328 -0.064 0.000 1.062 3160 H CA 1.484 57.412 56.048 -0.201 0.000 1.350 3160 H CB 0.330 29.937 29.762 -0.258 0.000 1.403 3160 H HN 0.429 nan 8.280 nan 0.000 0.533 3161 E N 0.054 120.281 120.200 0.045 0.000 2.562 3161 E HA 0.000 4.263 4.350 -0.146 0.000 0.214 3161 E C -0.039 176.583 176.600 0.036 0.000 0.979 3161 E CA -0.238 56.188 56.400 0.043 0.000 1.002 3161 E CB 0.073 29.792 29.700 0.032 0.000 1.048 3161 E HN 0.356 nan 8.360 nan 0.000 0.488 3162 N N 0.948 119.664 118.700 0.027 0.000 2.727 3162 N HA -0.166 4.487 4.740 -0.146 0.000 0.251 3162 N C -0.505 175.037 175.510 0.054 0.000 1.040 3162 N CA 0.667 53.741 53.050 0.041 0.000 0.712 3162 N CB -0.937 37.578 38.487 0.048 0.000 0.912 3162 N HN 0.048 nan 8.380 nan 0.000 0.545 3163 V N -2.802 117.149 119.914 0.062 0.000 3.102 3163 V HA 0.751 4.783 4.120 -0.146 0.000 0.312 3163 V C 0.402 176.569 176.094 0.122 0.000 1.135 3163 V CA -0.906 61.441 62.300 0.079 0.000 1.022 3163 V CB 2.180 34.037 31.823 0.057 0.000 1.056 3163 V HN -0.105 nan 8.190 nan 0.000 0.436 3164 V N 2.463 122.465 119.914 0.147 0.000 2.432 3164 V HA 0.461 4.494 4.120 -0.146 0.000 0.275 3164 V C 0.057 176.292 176.094 0.234 0.000 1.043 3164 V CA -0.251 62.169 62.300 0.201 0.000 0.925 3164 V CB 1.284 33.227 31.823 0.200 0.000 0.985 3164 V HN 0.733 nan 8.190 nan 0.000 0.466 3165 V N 5.965 126.062 119.914 0.304 0.000 2.435 3165 V HA 0.479 4.511 4.120 -0.146 0.000 0.290 3165 V C -0.216 176.141 176.094 0.438 0.000 1.030 3165 V CA -0.501 62.023 62.300 0.374 0.000 0.881 3165 V CB 1.952 33.986 31.823 0.353 0.000 0.983 3165 V HN 0.603 nan 8.190 nan 0.000 0.445 3166 V N 4.036 124.196 119.914 0.409 0.000 2.407 3166 V HA 0.448 4.480 4.120 -0.146 0.000 0.291 3166 V C 0.212 176.532 176.094 0.376 0.000 1.018 3166 V CA -0.541 61.965 62.300 0.343 0.000 0.842 3166 V CB 2.051 34.022 31.823 0.246 0.000 0.996 3166 V HN 0.996 nan 8.190 nan 0.000 0.426 3167 T N 3.934 118.718 114.554 0.385 0.000 2.767 3167 T HA 0.790 5.053 4.350 -0.146 0.000 0.288 3167 T C -0.364 174.506 174.700 0.283 0.000 0.963 3167 T CA -0.457 61.878 62.100 0.391 0.000 1.019 3167 T CB 1.183 70.312 68.868 0.435 0.000 0.923 3167 T HN 0.662 nan 8.240 nan 0.000 0.468 3168 I N 0.224 120.940 120.570 0.243 0.000 2.797 3168 I HA 0.662 4.745 4.170 -0.146 0.000 0.307 3168 I C -0.659 175.658 176.117 0.333 0.000 1.033 3168 I CA -1.256 60.161 61.300 0.196 0.000 1.071 3168 I CB 2.108 40.120 38.000 0.019 0.000 1.255 3168 I HN 0.556 nan 8.210 nan 0.000 0.445 3169 Q N 2.473 122.506 119.800 0.387 0.000 2.359 3169 Q HA 0.584 4.836 4.340 -0.146 0.000 0.275 3169 Q C -1.886 174.395 176.000 0.468 0.000 1.082 3169 Q CA -0.820 55.222 55.803 0.398 0.000 0.849 3169 Q CB 2.765 31.668 28.738 0.275 0.000 1.377 3169 Q HN 0.732 nan 8.270 nan 0.000 0.452 3170 Y N -2.779 117.664 120.300 0.239 0.000 2.581 3170 Y HA 0.519 4.993 4.550 -0.127 0.000 0.337 3170 Y C -0.901 175.070 175.900 0.118 0.000 1.108 3170 Y CA -1.438 56.760 58.100 0.164 0.000 1.033 3170 Y CB 0.745 39.258 38.460 0.087 0.000 1.318 3170 Y HN 0.419 nan 8.280 nan 0.000 0.459 3171 R N 2.070 122.654 120.500 0.141 0.000 2.638 3171 R HA 0.369 4.622 4.340 -0.146 0.000 0.268 3171 R C -0.880 175.483 176.300 0.105 0.000 1.006 3171 R CA 0.181 56.322 56.100 0.068 0.000 1.088 3171 R CB 0.226 30.588 30.300 0.103 0.000 0.950 3171 R HN 0.700 nan 8.270 nan 0.000 0.419 3172 L N 1.029 122.343 121.223 0.151 0.000 2.303 3172 L HA 0.480 4.733 4.340 -0.146 0.000 0.266 3172 L C 1.250 178.387 176.870 0.446 0.000 1.011 3172 L CA -0.462 54.552 54.840 0.291 0.000 0.818 3172 L CB 1.659 43.804 42.059 0.144 0.000 1.326 3172 L HN 0.903 nan 8.230 nan 0.000 0.435 3173 G N 0.669 109.730 108.800 0.434 0.000 2.627 3173 G HA2 -0.349 3.523 3.960 -0.146 0.000 0.312 3173 G HA3 -0.349 3.523 3.960 -0.146 0.000 0.312 3173 G C 0.909 176.026 174.900 0.362 0.000 1.299 3173 G CA 0.707 45.992 45.100 0.307 0.000 0.989 3173 G HN 0.670 nan 8.290 nan 0.000 0.547 3174 I N -0.622 120.074 120.570 0.210 0.000 2.113 3174 I HA -0.272 3.811 4.170 -0.146 0.000 0.242 3174 I C 2.855 179.167 176.117 0.325 0.000 1.057 3174 I CA 2.696 64.073 61.300 0.128 0.000 1.314 3174 I CB -0.345 37.489 38.000 -0.277 0.000 1.022 3174 I HN 0.570 nan 8.210 nan 0.000 0.408 3175 W N 0.543 122.027 121.300 0.307 0.000 2.321 3175 W HA -0.149 4.495 4.660 -0.026 0.000 0.306 3175 W C 2.421 179.090 176.519 0.250 0.000 1.217 3175 W CA 1.465 58.935 57.345 0.208 0.000 1.257 3175 W CB -1.067 28.403 29.460 0.017 0.000 1.145 3175 W HN 0.261 nan 8.180 nan 0.000 0.509 3176 G N -2.333 106.684 108.800 0.362 0.000 2.838 3176 G HA2 0.027 3.899 3.960 -0.146 0.000 0.210 3176 G HA3 0.027 3.899 3.960 -0.146 0.000 0.210 3176 G C 0.639 175.096 174.900 -0.738 0.000 1.153 3176 G CA 0.134 45.156 45.100 -0.131 0.000 0.778 3176 G HN 0.148 nan 8.290 nan 0.000 0.539 3177 F N -1.217 118.947 119.950 0.355 0.000 2.880 3177 F HA 0.394 4.831 4.527 -0.149 0.000 0.328 3177 F C 0.161 176.029 175.800 0.114 0.000 1.146 3177 F CA -1.761 56.307 58.000 0.114 0.000 1.135 3177 F CB 0.122 39.124 39.000 0.003 0.000 1.151 3177 F HN -0.011 nan 8.300 nan 0.000 0.523 3178 F N 2.220 122.314 119.950 0.239 0.000 2.571 3178 F HA 0.359 4.800 4.527 -0.144 0.000 0.384 3178 F C 0.487 176.318 175.800 0.052 0.000 1.058 3178 F CA 0.384 58.418 58.000 0.057 0.000 1.200 3178 F CB 0.428 39.302 39.000 -0.211 0.000 1.077 3178 F HN -0.073 nan 8.300 nan 0.000 0.558 3179 S N 3.519 118.818 115.700 -0.668 0.000 2.538 3179 S HA 0.377 4.760 4.470 -0.146 0.000 0.288 3179 S C 0.335 174.550 174.600 -0.641 0.000 1.108 3179 S CA -0.084 57.816 58.200 -0.500 0.000 0.971 3179 S CB 1.461 64.490 63.200 -0.285 0.000 1.041 3179 S HN 0.795 nan 8.310 nan 0.000 0.483 3180 T N 0.490 114.805 114.554 -0.397 0.000 3.069 3180 T HA 0.403 4.665 4.350 -0.146 0.000 0.252 3180 T C 1.385 176.005 174.700 -0.133 0.000 1.053 3180 T CA 0.513 62.456 62.100 -0.261 0.000 0.964 3180 T CB -0.019 68.797 68.868 -0.086 0.000 1.005 3180 T HN 1.727 nan 8.240 nan 0.000 0.532 3181 G N 2.221 110.938 108.800 -0.139 0.000 2.148 3181 G HA2 -0.180 3.693 3.960 -0.146 0.000 0.254 3181 G HA3 -0.180 3.693 3.960 -0.146 0.000 0.254 3181 G C -0.311 174.553 174.900 -0.060 0.000 0.981 3181 G CA 0.404 45.447 45.100 -0.094 0.000 0.670 3181 G HN 0.978 nan 8.290 nan 0.000 0.528 3182 D N -2.469 117.904 120.400 -0.045 0.000 2.759 3182 D HA 0.412 4.964 4.640 -0.146 0.000 0.321 3182 D C 1.255 177.520 176.300 -0.059 0.000 1.267 3182 D CA -0.066 53.908 54.000 -0.045 0.000 0.933 3182 D CB -0.300 40.488 40.800 -0.019 0.000 1.431 3182 D HN 0.124 nan 8.370 nan 0.000 0.504 3183 E N -0.101 120.009 120.200 -0.150 0.000 2.267 3183 E HA -0.267 3.996 4.350 -0.146 0.000 0.197 3183 E C 0.855 177.379 176.600 -0.126 0.000 0.998 3183 E CA 1.346 57.648 56.400 -0.163 0.000 0.830 3183 E CB -0.632 28.928 29.700 -0.233 0.000 0.751 3183 E HN 0.543 nan 8.360 nan 0.000 0.491 3184 H N 0.338 119.469 119.070 0.102 0.000 2.495 3184 H HA 0.151 4.619 4.556 -0.147 0.000 0.287 3184 H C 0.432 175.883 175.328 0.204 0.000 1.033 3184 H CA 1.194 57.320 56.048 0.131 0.000 1.307 3184 H CB 0.386 30.209 29.762 0.101 0.000 1.401 3184 H HN 0.121 nan 8.280 nan 0.000 0.555 3185 S N -0.272 115.610 115.700 0.303 0.000 2.769 3185 S HA 0.193 4.575 4.470 -0.146 0.000 0.150 3185 S C 0.810 175.548 174.600 0.230 0.000 1.034 3185 S CA -0.591 57.879 58.200 0.451 0.000 1.096 3185 S CB 0.247 63.673 63.200 0.377 0.000 1.567 3185 S HN 0.162 nan 8.310 nan 0.000 0.435 3186 R N 1.569 122.166 120.500 0.163 0.000 2.096 3186 R HA 0.157 4.410 4.340 -0.146 0.000 0.240 3186 R C 1.441 177.521 176.300 -0.367 0.000 1.139 3186 R CA 1.508 57.536 56.100 -0.121 0.000 0.952 3186 R CB -0.259 29.968 30.300 -0.122 0.000 0.854 3186 R HN 0.855 nan 8.270 nan 0.000 0.436 3187 G N -0.980 107.273 108.800 -0.912 0.000 2.362 3187 G HA2 -0.191 3.682 3.960 -0.146 0.000 0.517 3187 G HA3 -0.191 3.682 3.960 -0.146 0.000 0.517 3187 G C -0.822 173.330 174.900 -1.247 0.000 1.256 3187 G CA -0.386 44.083 45.100 -1.053 0.000 1.027 3187 G HN 0.241 nan 8.290 nan 0.000 0.491 3188 N N -0.803 117.543 118.700 -0.590 0.000 2.708 3188 N HA -0.209 4.443 4.740 -0.146 0.000 0.249 3188 N C 1.197 176.504 175.510 -0.338 0.000 1.097 3188 N CA 1.953 54.871 53.050 -0.220 0.000 0.710 3188 N CB -1.434 37.060 38.487 0.012 0.000 1.032 3188 N HN 0.685 nan 8.380 nan 0.000 0.551 3189 W N 0.366 121.571 121.300 -0.159 0.000 2.338 3189 W HA -0.110 4.461 4.660 -0.148 0.000 0.304 3189 W C 2.508 178.914 176.519 -0.189 0.000 1.212 3189 W CA 0.747 58.020 57.345 -0.121 0.000 1.264 3189 W CB -0.713 28.703 29.460 -0.074 0.000 1.142 3189 W HN 0.293 nan 8.180 nan 0.000 0.512 3190 G N -0.160 108.412 108.800 -0.380 0.000 2.442 3190 G HA2 -0.267 3.606 3.960 -0.146 0.000 0.219 3190 G HA3 -0.267 3.606 3.960 -0.146 0.000 0.219 3190 G C 1.229 176.077 174.900 -0.086 0.000 1.141 3190 G CA 1.363 46.327 45.100 -0.227 0.000 0.763 3190 G HN 0.314 nan 8.290 nan 0.000 0.554 3191 H N 0.197 119.284 119.070 0.028 0.000 2.395 3191 H HA 0.129 4.600 4.556 -0.141 0.000 0.299 3191 H C 2.743 178.077 175.328 0.011 0.000 1.070 3191 H CA 0.699 56.741 56.048 -0.011 0.000 1.356 3191 H CB -0.280 29.486 29.762 0.008 0.000 1.401 3191 H HN 0.276 nan 8.280 nan 0.000 0.524 3192 L N 0.552 121.878 121.223 0.172 0.000 2.131 3192 L HA -0.160 4.092 4.340 -0.146 0.000 0.210 3192 L C 2.020 179.005 176.870 0.191 0.000 1.092 3192 L CA 0.956 55.900 54.840 0.173 0.000 0.759 3192 L CB -0.242 41.948 42.059 0.218 0.000 0.903 3192 L HN 0.096 nan 8.230 nan 0.000 0.435 3193 D N -0.084 120.442 120.400 0.210 0.000 2.144 3193 D HA -0.182 4.370 4.640 -0.146 0.000 0.199 3193 D C 2.320 178.762 176.300 0.237 0.000 0.984 3193 D CA 1.113 55.292 54.000 0.298 0.000 0.834 3193 D CB -0.091 40.907 40.800 0.329 0.000 0.955 3193 D HN 0.425 nan 8.370 nan 0.000 0.465 3194 Q N 0.087 119.946 119.800 0.098 0.000 2.079 3194 Q HA -0.059 4.193 4.340 -0.146 0.000 0.200 3194 Q C 2.373 178.356 176.000 -0.027 0.000 0.974 3194 Q CA 0.697 56.481 55.803 -0.033 0.000 0.840 3194 Q CB 0.048 28.707 28.738 -0.133 0.000 0.898 3194 Q HN 0.134 nan 8.270 nan 0.000 0.430 3195 V N 1.171 121.110 119.914 0.041 0.000 2.343 3195 V HA -0.287 3.745 4.120 -0.146 0.000 0.247 3195 V C 2.285 178.431 176.094 0.088 0.000 1.051 3195 V CA 1.805 64.143 62.300 0.063 0.000 1.036 3195 V CB -0.963 30.913 31.823 0.088 0.000 0.654 3195 V HN 0.414 nan 8.190 nan 0.000 0.451 3196 A N 0.032 122.936 122.820 0.141 0.000 1.902 3196 A HA -0.142 4.090 4.320 -0.146 0.000 0.217 3196 A C 2.438 180.093 177.584 0.118 0.000 1.181 3196 A CA 2.154 54.326 52.037 0.225 0.000 0.623 3196 A CB -0.801 18.442 19.000 0.406 0.000 0.818 3196 A HN 0.573 nan 8.150 nan 0.000 0.443 3197 A N -0.284 122.366 122.820 -0.283 0.000 1.902 3197 A HA -0.045 4.187 4.320 -0.146 0.000 0.217 3197 A C 2.179 179.707 177.584 -0.094 0.000 1.181 3197 A CA 1.493 53.133 52.037 -0.663 0.000 0.623 3197 A CB -0.615 17.761 19.000 -1.039 0.000 0.818 3197 A HN 0.478 nan 8.150 nan 0.000 0.443 3198 L N -1.118 120.089 121.223 -0.027 0.000 2.046 3198 L HA -0.209 4.043 4.340 -0.146 0.000 0.208 3198 L C 2.878 179.821 176.870 0.121 0.000 1.077 3198 L CA 1.566 56.448 54.840 0.070 0.000 0.747 3198 L CB -0.494 41.609 42.059 0.073 0.000 0.896 3198 L HN 0.365 nan 8.230 nan 0.000 0.432 3199 R N -1.165 119.413 120.500 0.129 0.000 2.096 3199 R HA -0.230 4.023 4.340 -0.146 0.000 0.235 3199 R C 2.090 178.487 176.300 0.161 0.000 1.127 3199 R CA 1.886 58.066 56.100 0.133 0.000 0.968 3199 R CB -0.444 29.942 30.300 0.143 0.000 0.861 3199 R HN 0.426 nan 8.270 nan 0.000 0.440 3200 W N 0.768 122.101 121.300 0.055 0.000 2.381 3200 W HA -0.181 4.398 4.660 -0.135 0.000 0.301 3200 W C 1.791 178.348 176.519 0.063 0.000 1.205 3200 W CA 1.102 58.498 57.345 0.086 0.000 1.285 3200 W CB -0.160 29.377 29.460 0.129 0.000 1.133 3200 W HN -0.242 nan 8.180 nan 0.000 0.521 3201 V N 0.998 121.104 119.914 0.320 0.000 2.287 3201 V HA -0.365 3.668 4.120 -0.146 0.000 0.248 3201 V C 2.564 178.654 176.094 -0.007 0.000 1.053 3201 V CA 2.142 64.553 62.300 0.185 0.000 1.027 3201 V CB -1.098 30.858 31.823 0.222 0.000 0.646 3201 V HN 0.206 nan 8.190 nan 0.000 0.447 3202 Q N -0.206 119.609 119.800 0.024 0.000 2.152 3202 Q HA -0.228 4.024 4.340 -0.146 0.000 0.206 3202 Q C 1.886 177.836 176.000 -0.082 0.000 0.985 3202 Q CA 1.754 57.559 55.803 0.003 0.000 0.863 3202 Q CB -0.441 28.316 28.738 0.031 0.000 0.904 3202 Q HN 0.675 nan 8.270 nan 0.000 0.422 3203 D N -0.878 119.416 120.400 -0.176 0.000 2.346 3203 D HA 0.023 4.575 4.640 -0.146 0.000 0.206 3203 D C 1.056 177.134 176.300 -0.369 0.000 1.001 3203 D CA 0.342 54.195 54.000 -0.245 0.000 0.871 3203 D CB 0.179 40.832 40.800 -0.246 0.000 0.943 3203 D HN 0.263 nan 8.370 nan 0.000 0.518 3204 N N -0.096 118.276 118.700 -0.546 0.000 2.297 3204 N HA 0.022 4.674 4.740 -0.146 0.000 0.208 3204 N C 1.588 176.968 175.510 -0.217 0.000 1.176 3204 N CA -0.198 52.507 53.050 -0.575 0.000 0.882 3204 N CB 0.998 38.694 38.487 -1.318 0.000 1.134 3204 N HN -0.020 nan 8.380 nan 0.000 0.489 3205 I N 2.834 123.326 120.570 -0.130 0.000 2.248 3205 I HA -0.223 3.860 4.170 -0.146 0.000 0.248 3205 I C 2.261 178.462 176.117 0.140 0.000 1.107 3205 I CA 0.850 62.219 61.300 0.115 0.000 1.373 3205 I CB -0.401 37.661 38.000 0.104 0.000 1.055 3205 I HN 0.092 nan 8.210 nan 0.000 0.418 3206 A N -0.959 121.877 122.820 0.027 0.000 1.986 3206 A HA -0.232 4.000 4.320 -0.146 0.000 0.220 3206 A C 2.419 179.990 177.584 -0.022 0.000 1.171 3206 A CA 2.188 54.228 52.037 0.006 0.000 0.640 3206 A CB -0.985 17.995 19.000 -0.033 0.000 0.811 3206 A HN 0.492 nan 8.150 nan 0.000 0.451 3207 S N -1.050 114.594 115.700 -0.092 0.000 2.447 3207 S HA -0.021 4.362 4.470 -0.146 0.000 0.233 3207 S C 0.656 175.019 174.600 -0.395 0.000 1.006 3207 S CA 0.836 58.871 58.200 -0.275 0.000 0.957 3207 S CB -0.370 62.569 63.200 -0.435 0.000 0.773 3207 S HN 0.568 nan 8.310 nan 0.000 0.507 3208 F N 1.049 120.975 119.950 -0.039 0.000 2.730 3208 F HA 0.402 4.843 4.527 -0.143 0.000 0.295 3208 F C 1.541 177.381 175.800 0.066 0.000 1.143 3208 F CA -0.326 57.676 58.000 0.003 0.000 1.367 3208 F CB -0.140 38.854 39.000 -0.011 0.000 0.970 3208 F HN 0.214 nan 8.300 nan 0.000 0.514 3209 G N 0.564 109.452 108.800 0.147 0.000 2.160 3209 G HA2 -0.183 3.690 3.960 -0.146 0.000 0.251 3209 G HA3 -0.183 3.690 3.960 -0.146 0.000 0.251 3209 G C 0.505 175.484 174.900 0.132 0.000 1.008 3209 G CA -0.046 45.130 45.100 0.127 0.000 0.724 3209 G HN 0.782 nan 8.290 nan 0.000 0.514 3210 G N -0.709 108.177 108.800 0.143 0.000 2.400 3210 G HA2 0.519 4.392 3.960 -0.146 0.000 0.333 3210 G HA3 0.519 4.392 3.960 -0.146 0.000 0.333 3210 G C -0.390 174.556 174.900 0.076 0.000 1.143 3210 G CA -0.308 44.867 45.100 0.124 0.000 0.914 3210 G HN 0.466 nan 8.290 nan 0.000 0.480 3211 N N 2.097 120.832 118.700 0.058 0.000 2.500 3211 N HA 0.281 4.933 4.740 -0.146 0.000 0.236 3211 N C -1.137 174.390 175.510 0.028 0.000 1.022 3211 N CA -2.532 50.532 53.050 0.023 0.000 0.935 3211 N CB 1.941 40.426 38.487 -0.003 0.000 1.147 3211 N HN 0.124 nan 8.380 nan 0.000 0.512 3212 P HA -0.026 nan 4.420 nan 0.000 0.228 3212 P C 0.890 178.233 177.300 0.071 0.000 1.151 3212 P CA 0.712 63.849 63.100 0.062 0.000 0.770 3212 P CB 0.140 31.858 31.700 0.031 0.000 0.786 3213 G N -0.905 107.859 108.800 -0.059 0.000 2.985 3213 G HA2 -0.002 3.870 3.960 -0.146 0.000 0.209 3213 G HA3 -0.002 3.870 3.960 -0.146 0.000 0.209 3213 G C 0.500 174.976 174.900 -0.707 0.000 1.165 3213 G CA 0.148 45.082 45.100 -0.276 0.000 0.776 3213 G HN 0.352 nan 8.290 nan 0.000 0.541 3214 S N 0.068 115.590 115.700 -0.297 0.000 2.293 3214 S HA 0.491 4.874 4.470 -0.146 0.000 0.154 3214 S C -0.981 173.695 174.600 0.126 0.000 1.602 3214 S CA -0.412 57.681 58.200 -0.178 0.000 1.260 3214 S CB 0.503 63.624 63.200 -0.131 0.000 1.270 3214 S HN -0.055 nan 8.310 nan 0.000 0.416 3215 V N 3.355 123.538 119.914 0.448 0.000 2.459 3215 V HA 0.612 4.644 4.120 -0.146 0.000 0.295 3215 V C 0.119 176.369 176.094 0.260 0.000 1.029 3215 V CA -0.393 62.088 62.300 0.302 0.000 0.874 3215 V CB 2.044 34.037 31.823 0.284 0.000 0.985 3215 V HN 0.688 nan 8.190 nan 0.000 0.438 3216 T N 6.050 120.713 114.554 0.182 0.000 2.792 3216 T HA 0.614 4.876 4.350 -0.146 0.000 0.280 3216 T C -0.290 174.528 174.700 0.198 0.000 0.990 3216 T CA -0.209 61.982 62.100 0.153 0.000 0.960 3216 T CB 1.017 69.914 68.868 0.047 0.000 0.939 3216 T HN 0.613 nan 8.240 nan 0.000 0.439 3217 I N 1.517 122.179 120.570 0.153 0.000 2.392 3217 I HA 0.896 4.979 4.170 -0.146 0.000 0.295 3217 I C -1.002 175.288 176.117 0.290 0.000 0.985 3217 I CA -1.055 60.331 61.300 0.143 0.000 1.221 3217 I CB 1.136 39.014 38.000 -0.203 0.000 1.366 3217 I HN 0.528 nan 8.210 nan 0.000 0.467 3218 F N 2.899 122.867 119.950 0.029 0.000 2.641 3218 F HA 0.982 5.424 4.527 -0.142 0.000 0.308 3218 F C -0.567 175.180 175.800 -0.089 0.000 1.105 3218 F CA -1.333 56.719 58.000 0.087 0.000 0.964 3218 F CB 1.299 40.469 39.000 0.283 0.000 1.294 3218 F HN 0.853 nan 8.300 nan 0.000 0.442 3219 G N 1.643 110.243 108.800 -0.334 0.000 2.601 3219 G HA2 0.541 4.413 3.960 -0.146 0.000 0.291 3219 G HA3 0.541 4.413 3.960 -0.146 0.000 0.291 3219 G C -2.370 172.257 174.900 -0.456 0.000 1.456 3219 G CA -0.826 43.626 45.100 -1.080 0.000 0.804 3219 G HN 1.073 nan 8.290 nan 0.000 0.499 3220 E N -0.348 119.596 120.200 -0.427 0.000 2.227 3220 E HA 0.778 5.040 4.350 -0.146 0.000 0.268 3220 E C 0.719 177.337 176.600 0.029 0.000 0.907 3220 E CA 0.110 56.487 56.400 -0.038 0.000 0.786 3220 E CB 1.936 31.695 29.700 0.098 0.000 1.191 3220 E HN 1.275 nan 8.360 nan 0.000 0.411 3221 S N 1.809 117.594 115.700 0.142 0.000 4.140 3221 S HA -0.385 3.998 4.470 -0.146 0.000 0.618 3221 S C 1.524 176.222 174.600 0.163 0.000 1.896 3221 S CA 2.146 60.539 58.200 0.322 0.000 4.240 3221 S CB -1.849 61.663 63.200 0.520 0.000 0.208 3221 S HN 1.507 nan 8.310 nan 0.000 0.487 3222 A N 1.010 123.910 122.820 0.134 0.000 2.070 3222 A HA 0.236 4.468 4.320 -0.146 0.000 0.220 3222 A C 2.314 179.856 177.584 -0.070 0.000 1.159 3222 A CA 2.205 54.261 52.037 0.032 0.000 0.656 3222 A CB -1.318 17.715 19.000 0.054 0.000 0.800 3222 A HN 1.487 nan 8.150 nan 0.000 0.453 3223 G N -0.791 107.932 108.800 -0.128 0.000 2.430 3223 G HA2 0.150 4.022 3.960 -0.146 0.000 0.216 3223 G HA3 0.150 4.022 3.960 -0.146 0.000 0.216 3223 G C 1.398 176.135 174.900 -0.272 0.000 1.146 3223 G CA 1.029 45.934 45.100 -0.325 0.000 0.793 3223 G HN 0.617 nan 8.290 nan 0.000 0.537 3224 G N 0.282 108.996 108.800 -0.143 0.000 2.421 3224 G HA2 -0.098 3.775 3.960 -0.146 0.000 0.217 3224 G HA3 -0.098 3.775 3.960 -0.146 0.000 0.217 3224 G C 1.514 176.378 174.900 -0.060 0.000 1.143 3224 G CA 0.987 46.046 45.100 -0.068 0.000 0.784 3224 G HN 0.420 nan 8.290 nan 0.000 0.541 3225 E N 0.987 121.153 120.200 -0.057 0.000 2.150 3225 E HA -0.077 4.186 4.350 -0.146 0.000 0.193 3225 E C 2.455 178.980 176.600 -0.125 0.000 0.985 3225 E CA 1.027 57.382 56.400 -0.075 0.000 0.814 3225 E CB -0.143 29.519 29.700 -0.063 0.000 0.752 3225 E HN 0.329 nan 8.360 nan 0.000 0.466 3226 S N 0.241 115.859 115.700 -0.138 0.000 2.355 3226 S HA -0.116 4.267 4.470 -0.146 0.000 0.222 3226 S C 2.148 176.597 174.600 -0.251 0.000 1.031 3226 S CA 1.119 59.218 58.200 -0.169 0.000 0.993 3226 S CB -0.295 62.771 63.200 -0.223 0.000 0.859 3226 S HN 0.132 nan 8.310 nan 0.000 0.453 3227 V N 1.436 121.198 119.914 -0.255 0.000 2.282 3227 V HA -0.214 3.819 4.120 -0.146 0.000 0.249 3227 V C 2.622 178.526 176.094 -0.316 0.000 1.057 3227 V CA 2.148 64.263 62.300 -0.309 0.000 1.032 3227 V CB -0.863 30.840 31.823 -0.200 0.000 0.645 3227 V HN 0.553 nan 8.190 nan 0.000 0.447 3228 S N -0.840 114.750 115.700 -0.182 0.000 2.370 3228 S HA -0.180 4.203 4.470 -0.146 0.000 0.226 3228 S C 1.961 176.421 174.600 -0.233 0.000 1.033 3228 S CA 1.900 60.011 58.200 -0.149 0.000 1.011 3228 S CB -0.209 62.962 63.200 -0.048 0.000 0.852 3228 S HN 0.329 nan 8.310 nan 0.000 0.457 3229 V N 1.987 121.747 119.914 -0.256 0.000 2.295 3229 V HA -0.139 3.894 4.120 -0.146 0.000 0.246 3229 V C 2.375 178.308 176.094 -0.269 0.000 1.049 3229 V CA 1.846 63.966 62.300 -0.300 0.000 1.024 3229 V CB -0.640 30.903 31.823 -0.466 0.000 0.648 3229 V HN 0.474 nan 8.190 nan 0.000 0.447 3230 L N -0.580 120.472 121.223 -0.284 0.000 2.012 3230 L HA -0.180 4.072 4.340 -0.146 0.000 0.210 3230 L C 2.481 179.303 176.870 -0.079 0.000 1.073 3230 L CA 1.277 55.989 54.840 -0.213 0.000 0.748 3230 L CB -0.760 41.074 42.059 -0.375 0.000 0.891 3230 L HN 0.180 nan 8.230 nan 0.000 0.431 3231 V N 0.155 119.957 119.914 -0.187 0.000 2.546 3231 V HA -0.280 3.752 4.120 -0.146 0.000 0.254 3231 V C 2.121 178.151 176.094 -0.106 0.000 1.076 3231 V CA 1.624 63.895 62.300 -0.049 0.000 1.087 3231 V CB -0.334 31.244 31.823 -0.408 0.000 0.674 3231 V HN 0.393 nan 8.190 nan 0.000 0.470 3232 L N -1.098 120.004 121.223 -0.201 0.000 2.585 3232 L HA 0.180 4.433 4.340 -0.146 0.000 0.226 3232 L C 1.167 178.007 176.870 -0.051 0.000 1.113 3232 L CA 0.140 54.852 54.840 -0.214 0.000 0.876 3232 L CB 0.166 42.070 42.059 -0.259 0.000 1.072 3232 L HN 0.202 nan 8.230 nan 0.000 0.468 3233 S N 1.242 116.925 115.700 -0.027 0.000 2.465 3233 S HA 0.238 4.621 4.470 -0.146 0.000 0.279 3233 S C -1.212 173.422 174.600 0.056 0.000 1.201 3233 S CA -1.474 56.725 58.200 -0.000 0.000 1.053 3233 S CB 0.963 64.143 63.200 -0.033 0.000 0.953 3233 S HN -0.005 nan 8.310 nan 0.000 0.488 3234 P HA -0.059 nan 4.420 nan 0.000 0.226 3234 P C 1.455 178.778 177.300 0.038 0.000 1.153 3234 P CA 0.596 63.724 63.100 0.048 0.000 0.777 3234 P CB 0.189 31.909 31.700 0.034 0.000 0.794 3235 L N -0.369 120.877 121.223 0.039 0.000 2.072 3235 L HA -0.048 4.205 4.340 -0.146 0.000 0.205 3235 L C 2.538 179.445 176.870 0.061 0.000 1.079 3235 L CA 1.512 56.377 54.840 0.043 0.000 0.752 3235 L CB -0.712 41.371 42.059 0.041 0.000 0.906 3235 L HN -0.037 nan 8.230 nan 0.000 0.436 3236 A N -1.064 121.810 122.820 0.090 0.000 2.169 3236 A HA -0.078 4.154 4.320 -0.146 0.000 0.212 3236 A C 1.198 178.864 177.584 0.137 0.000 1.153 3236 A CA 0.067 52.198 52.037 0.156 0.000 0.756 3236 A CB -0.171 18.967 19.000 0.229 0.000 0.813 3236 A HN 0.098 nan 8.150 nan 0.000 0.471 3237 K N 1.139 121.576 120.400 0.061 0.000 2.453 3237 K HA -0.053 4.180 4.320 -0.146 0.000 0.280 3237 K C -0.311 176.245 176.600 -0.073 0.000 1.045 3237 K CA 0.543 56.809 56.287 -0.034 0.000 1.059 3237 K CB -0.099 32.402 32.500 0.002 0.000 0.901 3237 K HN 0.434 nan 8.250 nan 0.000 0.475 3238 N N 2.292 120.892 118.700 -0.168 0.000 2.951 3238 N HA -0.159 4.494 4.740 -0.146 0.000 0.177 3238 N C 0.641 176.056 175.510 -0.160 0.000 1.080 3238 N CA 0.856 53.827 53.050 -0.131 0.000 1.041 3238 N CB -0.916 37.541 38.487 -0.050 0.000 0.981 3238 N HN 0.528 nan 8.380 nan 0.000 0.554 3239 L N 0.181 121.327 121.223 -0.128 0.000 2.529 3239 L HA 0.259 4.512 4.340 -0.146 0.000 0.223 3239 L C 0.397 177.279 176.870 0.019 0.000 1.113 3239 L CA 0.476 55.323 54.840 0.013 0.000 0.861 3239 L CB -0.160 41.986 42.059 0.143 0.000 1.012 3239 L HN 0.154 nan 8.230 nan 0.000 0.461 3240 F N -4.156 115.595 119.950 -0.332 0.000 2.643 3240 F HA 0.493 4.934 4.527 -0.144 0.000 0.314 3240 F C 0.569 175.944 175.800 -0.708 0.000 1.096 3240 F CA -1.028 56.734 58.000 -0.396 0.000 0.953 3240 F CB 0.794 39.696 39.000 -0.164 0.000 1.345 3240 F HN -0.137 nan 8.300 nan 0.000 0.468 3241 H N -0.229 118.853 119.070 0.021 0.000 3.241 3241 H HA 0.432 4.901 4.556 -0.146 0.000 0.260 3241 H C -0.412 174.874 175.328 -0.069 0.000 1.084 3241 H CA -0.065 55.910 56.048 -0.122 0.000 1.203 3241 H CB 0.832 30.540 29.762 -0.090 0.000 1.524 3241 H HN 0.519 nan 8.280 nan 0.000 0.521 3242 R N 0.245 120.840 120.500 0.159 0.000 2.680 3242 R HA 0.721 4.974 4.340 -0.146 0.000 0.269 3242 R C -1.412 175.043 176.300 0.258 0.000 1.026 3242 R CA -0.748 55.404 56.100 0.088 0.000 0.889 3242 R CB 2.506 32.655 30.300 -0.251 0.000 1.241 3242 R HN 0.086 nan 8.270 nan 0.000 0.463 3243 A N 2.086 125.095 122.820 0.316 0.000 2.515 3243 A HA 0.802 5.035 4.320 -0.146 0.000 0.298 3243 A C -1.175 176.642 177.584 0.389 0.000 1.059 3243 A CA -0.702 51.448 52.037 0.188 0.000 0.698 3243 A CB 1.369 20.230 19.000 -0.231 0.000 1.289 3243 A HN 0.615 nan 8.150 nan 0.000 0.404 3244 I N 1.378 122.109 120.570 0.269 0.000 2.500 3244 I HA 0.300 4.383 4.170 -0.146 0.000 0.286 3244 I C -0.280 175.974 176.117 0.228 0.000 1.063 3244 I CA -0.222 61.186 61.300 0.179 0.000 1.062 3244 I CB 2.302 40.328 38.000 0.044 0.000 1.223 3244 I HN 0.483 nan 8.210 nan 0.000 0.435 3245 S N 5.308 121.114 115.700 0.177 0.000 2.448 3245 S HA 0.338 4.720 4.470 -0.146 0.000 0.320 3245 S C -0.416 174.228 174.600 0.073 0.000 1.071 3245 S CA -0.605 57.659 58.200 0.107 0.000 1.113 3245 S CB 0.700 63.951 63.200 0.085 0.000 0.972 3245 S HN 0.469 nan 8.310 nan 0.000 0.465 3246 E N 1.934 122.221 120.200 0.145 0.000 2.055 3246 E HA 0.324 4.587 4.350 -0.146 0.000 0.274 3246 E C -0.372 176.270 176.600 0.069 0.000 0.949 3246 E CA -0.520 55.990 56.400 0.183 0.000 0.775 3246 E CB 0.885 30.787 29.700 0.338 0.000 1.097 3246 E HN 0.613 nan 8.360 nan 0.000 0.404 3247 S N 1.965 117.676 115.700 0.019 0.000 3.697 3247 S HA -0.129 4.254 4.470 -0.146 0.000 0.388 3247 S C 0.051 174.838 174.600 0.311 0.000 0.941 3247 S CA 0.494 58.726 58.200 0.053 0.000 1.247 3247 S CB -1.134 61.938 63.200 -0.214 0.000 0.904 3247 S HN 0.938 nan 8.310 nan 0.000 0.518 3248 G N -0.822 108.125 108.800 0.246 0.000 2.219 3248 G HA2 0.520 4.393 3.960 -0.146 0.000 0.304 3248 G HA3 0.520 4.393 3.960 -0.146 0.000 0.304 3248 G C -0.870 174.063 174.900 0.054 0.000 1.712 3248 G CA 0.115 45.337 45.100 0.205 0.000 0.905 3248 G HN 1.540 nan 8.290 nan 0.000 0.706 3249 V N -0.429 119.483 119.914 -0.003 0.000 3.181 3249 V HA 0.916 4.949 4.120 -0.146 0.000 0.308 3249 V C 1.264 177.309 176.094 -0.082 0.000 1.214 3249 V CA -0.027 62.250 62.300 -0.040 0.000 1.053 3249 V CB 1.297 33.087 31.823 -0.055 0.000 1.069 3249 V HN 2.149 nan 8.190 nan 0.000 0.441 3250 A N 0.382 123.145 122.820 -0.095 0.000 2.186 3250 A HA 0.082 4.315 4.320 -0.146 0.000 0.219 3250 A C 1.523 179.028 177.584 -0.131 0.000 1.159 3250 A CA 1.786 53.747 52.037 -0.126 0.000 0.680 3250 A CB -0.734 18.180 19.000 -0.142 0.000 0.787 3250 A HN 0.878 nan 8.150 nan 0.000 0.467 3251 L N -0.406 120.741 121.223 -0.125 0.000 2.628 3251 L HA 0.062 4.315 4.340 -0.146 0.000 0.229 3251 L C 0.205 176.962 176.870 -0.188 0.000 1.137 3251 L CA -0.073 54.681 54.840 -0.143 0.000 0.909 3251 L CB 0.063 42.053 42.059 -0.115 0.000 1.137 3251 L HN 0.080 nan 8.230 nan 0.000 0.470 3252 T N 0.237 114.672 114.554 -0.199 0.000 3.185 3252 T HA 0.003 4.266 4.350 -0.146 0.000 0.287 3252 T C 1.527 176.071 174.700 -0.261 0.000 1.051 3252 T CA 0.279 62.211 62.100 -0.280 0.000 1.051 3252 T CB 0.529 69.228 68.868 -0.281 0.000 1.034 3252 T HN 0.413 nan 8.240 nan 0.000 0.685 3253 S N 2.708 118.242 115.700 -0.275 0.000 2.400 3253 S HA -0.165 4.218 4.470 -0.146 0.000 0.234 3253 S C 2.161 176.620 174.600 -0.235 0.000 1.049 3253 S CA 1.443 59.489 58.200 -0.258 0.000 1.039 3253 S CB -0.698 62.321 63.200 -0.302 0.000 0.856 3253 S HN 0.482 nan 8.310 nan 0.000 0.465 3254 V N 1.152 120.919 119.914 -0.245 0.000 2.688 3254 V HA -0.013 4.020 4.120 -0.146 0.000 0.256 3254 V C 1.984 177.979 176.094 -0.165 0.000 1.084 3254 V CA 1.784 63.966 62.300 -0.196 0.000 1.103 3254 V CB -0.530 31.188 31.823 -0.176 0.000 0.688 3254 V HN 0.654 nan 8.190 nan 0.000 0.480 3255 L N -0.702 120.416 121.223 -0.174 0.000 2.529 3255 L HA 0.199 4.452 4.340 -0.146 0.000 0.223 3255 L C 0.298 177.066 176.870 -0.170 0.000 1.113 3255 L CA 0.004 54.742 54.840 -0.170 0.000 0.861 3255 L CB 0.465 42.433 42.059 -0.151 0.000 1.012 3255 L HN 0.079 nan 8.230 nan 0.000 0.461 3256 V N 1.190 121.008 119.914 -0.159 0.000 2.378 3256 V HA 0.261 4.294 4.120 -0.146 0.000 0.288 3256 V C -0.125 175.890 176.094 -0.131 0.000 1.016 3256 V CA -0.951 61.265 62.300 -0.141 0.000 0.840 3256 V CB 1.594 33.333 31.823 -0.140 0.000 0.994 3256 V HN 0.030 nan 8.190 nan 0.000 0.431 3257 K N 4.555 124.887 120.400 -0.113 0.000 2.312 3257 K HA 0.365 4.597 4.320 -0.146 0.000 0.287 3257 K C -0.289 176.257 176.600 -0.090 0.000 1.062 3257 K CA -0.554 55.675 56.287 -0.097 0.000 0.934 3257 K CB 1.220 33.669 32.500 -0.085 0.000 1.027 3257 K HN 0.688 nan 8.250 nan 0.000 0.478 3258 K N 0.690 121.038 120.400 -0.087 0.000 2.244 3258 K HA 0.739 4.972 4.320 -0.146 0.000 0.260 3258 K C 0.455 177.020 176.600 -0.058 0.000 0.951 3258 K CA -0.645 55.596 56.287 -0.077 0.000 0.826 3258 K CB 1.722 34.169 32.500 -0.088 0.000 1.108 3258 K HN 0.652 nan 8.250 nan 0.000 0.433 3259 G N 1.292 110.061 108.800 -0.051 0.000 2.384 3259 G HA2 -0.125 3.748 3.960 -0.146 0.000 0.200 3259 G HA3 -0.125 3.748 3.960 -0.146 0.000 0.200 3259 G C -1.610 173.266 174.900 -0.040 0.000 1.205 3259 G CA -0.357 44.720 45.100 -0.038 0.000 1.116 3259 G HN 0.747 nan 8.290 nan 0.000 0.547 3260 D N 0.879 121.260 120.400 -0.032 0.000 2.347 3260 D HA 0.464 5.017 4.640 -0.146 0.000 0.235 3260 D C 1.661 177.935 176.300 -0.042 0.000 1.149 3260 D CA 0.419 54.398 54.000 -0.035 0.000 0.850 3260 D CB 1.370 42.156 40.800 -0.023 0.000 1.061 3260 D HN 1.132 nan 8.370 nan 0.000 0.487 3261 V N 2.021 121.898 119.914 -0.062 0.000 3.623 3261 V HA 0.129 4.162 4.120 -0.146 0.000 0.271 3261 V C 1.899 177.937 176.094 -0.092 0.000 1.248 3261 V CA 0.252 62.504 62.300 -0.080 0.000 1.156 3261 V CB -0.142 31.615 31.823 -0.111 0.000 0.870 3261 V HN 0.206 nan 8.190 nan 0.000 0.453 3262 K N 2.052 122.409 120.400 -0.071 0.000 2.026 3262 K HA 0.033 4.266 4.320 -0.146 0.000 0.208 3262 K C -0.167 176.411 176.600 -0.036 0.000 1.048 3262 K CA 1.892 58.142 56.287 -0.061 0.000 0.929 3262 K CB -1.559 30.920 32.500 -0.035 0.000 0.713 3262 K HN 0.434 nan 8.250 nan 0.000 0.439 3263 P HA -0.168 nan 4.420 nan 0.000 0.216 3263 P C 1.343 178.648 177.300 0.009 0.000 1.150 3263 P CA 1.035 64.134 63.100 -0.002 0.000 0.837 3263 P CB 0.044 31.744 31.700 0.001 0.000 0.786 3264 L N -1.132 120.091 121.223 0.001 0.000 2.093 3264 L HA -0.153 4.099 4.340 -0.146 0.000 0.208 3264 L C 2.161 179.060 176.870 0.047 0.000 1.085 3264 L CA 1.634 56.492 54.840 0.030 0.000 0.755 3264 L CB -0.762 41.309 42.059 0.020 0.000 0.904 3264 L HN -0.039 nan 8.230 nan 0.000 0.435 3265 A N -0.341 122.463 122.820 -0.026 0.000 1.902 3265 A HA -0.257 3.975 4.320 -0.146 0.000 0.217 3265 A C 2.025 179.693 177.584 0.139 0.000 1.181 3265 A CA 1.787 53.817 52.037 -0.012 0.000 0.623 3265 A CB -0.451 18.404 19.000 -0.241 0.000 0.818 3265 A HN 0.520 nan 8.150 nan 0.000 0.443 3266 E N -0.896 119.345 120.200 0.068 0.000 2.072 3266 E HA -0.211 4.052 4.350 -0.146 0.000 0.191 3266 E C 2.277 178.918 176.600 0.068 0.000 0.985 3266 E CA 1.152 57.592 56.400 0.067 0.000 0.801 3266 E CB -0.130 29.591 29.700 0.036 0.000 0.750 3266 E HN 0.743 nan 8.360 nan 0.000 0.452 3267 Q N 0.417 120.255 119.800 0.064 0.000 2.084 3267 Q HA -0.192 4.061 4.340 -0.146 0.000 0.202 3267 Q C 2.166 178.208 176.000 0.070 0.000 0.978 3267 Q CA 1.237 57.072 55.803 0.054 0.000 0.844 3267 Q CB 0.003 28.770 28.738 0.049 0.000 0.898 3267 Q HN 0.322 nan 8.270 nan 0.000 0.426 3268 I N 0.153 120.799 120.570 0.126 0.000 2.202 3268 I HA -0.263 3.820 4.170 -0.146 0.000 0.242 3268 I C 2.443 178.599 176.117 0.066 0.000 1.091 3268 I CA 0.911 62.291 61.300 0.134 0.000 1.368 3268 I CB -0.454 37.697 38.000 0.253 0.000 1.058 3268 I HN 0.219 nan 8.210 nan 0.000 0.410 3269 A N 1.218 124.092 122.820 0.089 0.000 1.892 3269 A HA -0.220 4.012 4.320 -0.146 0.000 0.218 3269 A C 2.304 179.894 177.584 0.010 0.000 1.188 3269 A CA 1.764 53.816 52.037 0.026 0.000 0.631 3269 A CB -0.945 18.096 19.000 0.069 0.000 0.822 3269 A HN 0.391 nan 8.150 nan 0.000 0.447 3270 I N -0.684 119.900 120.570 0.024 0.000 2.142 3270 I HA -0.237 3.846 4.170 -0.146 0.000 0.240 3270 I C 2.615 178.733 176.117 0.001 0.000 1.078 3270 I CA 1.820 63.127 61.300 0.011 0.000 1.343 3270 I CB -0.814 37.194 38.000 0.014 0.000 1.046 3270 I HN 0.263 nan 8.210 nan 0.000 0.405 3271 T N 0.828 115.384 114.554 0.003 0.000 2.737 3271 T HA -0.198 4.064 4.350 -0.146 0.000 0.269 3271 T C 1.781 176.473 174.700 -0.012 0.000 1.040 3271 T CA 1.593 63.689 62.100 -0.006 0.000 1.142 3271 T CB -0.292 68.572 68.868 -0.006 0.000 0.861 3271 T HN 0.507 nan 8.240 nan 0.000 0.456 3272 A N 0.223 123.031 122.820 -0.020 0.000 2.238 3272 A HA 0.500 4.733 4.320 -0.146 0.000 0.208 3272 A C 1.672 179.238 177.584 -0.029 0.000 1.177 3272 A CA 0.730 52.746 52.037 -0.035 0.000 0.804 3272 A CB -0.627 18.332 19.000 -0.069 0.000 0.823 3272 A HN 0.826 nan 8.150 nan 0.000 0.482 3273 G N -1.629 107.160 108.800 -0.019 0.000 2.248 3273 G HA2 -0.187 3.686 3.960 -0.146 0.000 0.252 3273 G HA3 -0.187 3.686 3.960 -0.146 0.000 0.252 3273 G C -0.107 174.784 174.900 -0.015 0.000 1.085 3273 G CA -0.053 45.039 45.100 -0.014 0.000 0.845 3273 G HN 0.610 nan 8.290 nan 0.000 0.494 3274 c N -0.180 118.412 118.600 -0.013 0.000 2.614 3274 c HA 0.715 5.198 4.570 -0.146 0.000 0.320 3274 c C 0.871 174.965 174.090 0.006 0.000 1.200 3274 c CA -1.032 55.292 56.329 -0.008 0.000 1.700 3274 c CB 1.675 44.172 42.510 -0.022 0.000 2.275 3274 c HN 0.603 nan 8.230 nan 0.000 0.492 3275 K N 0.586 120.993 120.400 0.012 0.000 2.219 3275 K HA 0.360 4.593 4.320 -0.146 0.000 0.258 3275 K C 0.698 177.312 176.600 0.022 0.000 1.008 3275 K CA 0.195 56.491 56.287 0.016 0.000 0.928 3275 K CB 0.416 32.926 32.500 0.017 0.000 0.983 3275 K HN 0.864 nan 8.250 nan 0.000 0.484 3276 T N -2.834 111.733 114.554 0.022 0.000 3.296 3276 T HA 0.069 4.332 4.350 -0.146 0.000 0.285 3276 T C 0.979 175.691 174.700 0.020 0.000 1.014 3276 T CA -0.461 61.656 62.100 0.028 0.000 0.920 3276 T CB 0.052 68.937 68.868 0.029 0.000 1.143 3276 T HN 0.426 nan 8.240 nan 0.000 0.522 3277 T N 2.795 117.357 114.554 0.014 0.000 2.665 3277 T HA -0.033 4.229 4.350 -0.146 0.000 0.268 3277 T C 1.183 175.885 174.700 0.003 0.000 1.035 3277 T CA 1.994 64.098 62.100 0.006 0.000 1.151 3277 T CB -0.400 68.469 68.868 0.001 0.000 0.862 3277 T HN 0.868 nan 8.240 nan 0.000 0.438 3278 T N -2.528 112.025 114.554 -0.002 0.000 2.792 3278 T HA 0.483 4.745 4.350 -0.146 0.000 0.303 3278 T C 0.918 175.611 174.700 -0.010 0.000 1.310 3278 T CA -0.374 61.719 62.100 -0.012 0.000 1.007 3278 T CB 1.630 70.470 68.868 -0.046 0.000 1.335 3278 T HN -0.174 nan 8.240 nan 0.000 0.504 3279 S N 0.451 116.150 115.700 -0.002 0.000 2.359 3279 S HA -0.058 4.325 4.470 -0.146 0.000 0.224 3279 S C 2.502 177.084 174.600 -0.030 0.000 1.035 3279 S CA 1.568 59.792 58.200 0.039 0.000 1.018 3279 S CB -1.026 62.272 63.200 0.163 0.000 0.876 3279 S HN 0.973 nan 8.310 nan 0.000 0.448 3280 A N 0.969 123.614 122.820 -0.293 0.000 1.940 3280 A HA -0.082 4.150 4.320 -0.146 0.000 0.219 3280 A C 2.329 179.878 177.584 -0.058 0.000 1.176 3280 A CA 1.605 53.460 52.037 -0.303 0.000 0.631 3280 A CB -0.883 17.798 19.000 -0.532 0.000 0.814 3280 A HN 0.355 nan 8.150 nan 0.000 0.446 3281 V N -0.155 119.734 119.914 -0.042 0.000 2.307 3281 V HA -0.318 3.715 4.120 -0.146 0.000 0.245 3281 V C 2.643 178.780 176.094 0.072 0.000 1.045 3281 V CA 2.214 64.531 62.300 0.029 0.000 1.024 3281 V CB -0.680 31.147 31.823 0.008 0.000 0.651 3281 V HN 0.584 nan 8.190 nan 0.000 0.449 3282 M N -0.531 119.105 119.600 0.061 0.000 2.065 3282 M HA -0.188 4.204 4.480 -0.146 0.000 0.259 3282 M C 2.238 178.565 176.300 0.044 0.000 1.069 3282 M CA 1.893 57.236 55.300 0.072 0.000 1.110 3282 M CB -0.641 32.047 32.600 0.147 0.000 1.328 3282 M HN 0.248 nan 8.290 nan 0.000 0.405 3283 V N -0.480 119.497 119.914 0.105 0.000 2.332 3283 V HA -0.304 3.729 4.120 -0.146 0.000 0.248 3283 V C 2.279 178.439 176.094 0.111 0.000 1.055 3283 V CA 2.452 64.808 62.300 0.094 0.000 1.038 3283 V CB -1.177 30.767 31.823 0.200 0.000 0.651 3283 V HN 0.511 nan 8.190 nan 0.000 0.450 3284 H N -0.821 118.272 119.070 0.037 0.000 2.353 3284 H HA -0.200 4.270 4.556 -0.143 0.000 0.300 3284 H C 2.334 177.669 175.328 0.012 0.000 1.090 3284 H CA 2.253 58.317 56.048 0.027 0.000 1.327 3284 H CB -0.554 29.210 29.762 0.004 0.000 1.383 3284 H HN 0.455 nan 8.280 nan 0.000 0.508 3285 c N -0.138 118.425 118.600 -0.062 0.000 2.462 3285 c HA -0.056 4.426 4.570 -0.146 0.000 0.278 3285 c C 2.780 176.791 174.090 -0.131 0.000 1.253 3285 c CA 0.961 57.222 56.329 -0.112 0.000 1.713 3285 c CB -1.396 41.101 42.510 -0.023 0.000 2.049 3285 c HN 0.674 nan 8.230 nan 0.000 0.477 3286 L N 0.436 121.592 121.223 -0.112 0.000 2.187 3286 L HA -0.124 4.128 4.340 -0.146 0.000 0.213 3286 L C 2.942 179.807 176.870 -0.009 0.000 1.100 3286 L CA 1.389 56.164 54.840 -0.108 0.000 0.765 3286 L CB -0.654 41.231 42.059 -0.289 0.000 0.904 3286 L HN 0.371 nan 8.230 nan 0.000 0.437 3287 R N -0.273 120.226 120.500 -0.001 0.000 2.189 3287 R HA -0.109 4.144 4.340 -0.146 0.000 0.223 3287 R C 1.689 177.899 176.300 -0.151 0.000 1.092 3287 R CA 0.812 56.866 56.100 -0.076 0.000 0.989 3287 R CB -0.047 30.218 30.300 -0.059 0.000 0.876 3287 R HN 0.551 nan 8.270 nan 0.000 0.457 3288 Q N -0.041 119.647 119.800 -0.187 0.000 2.319 3288 Q HA 0.083 4.336 4.340 -0.146 0.000 0.202 3288 Q C -0.167 175.772 176.000 -0.102 0.000 0.896 3288 Q CA 0.183 55.888 55.803 -0.163 0.000 0.942 3288 Q CB 0.651 29.258 28.738 -0.218 0.000 1.083 3288 Q HN -0.026 nan 8.270 nan 0.000 0.510 3289 K N 1.876 122.221 120.400 -0.092 0.000 2.118 3289 K HA 0.164 4.397 4.320 -0.146 0.000 0.264 3289 K C 0.482 177.062 176.600 -0.034 0.000 1.000 3289 K CA -0.037 56.213 56.287 -0.061 0.000 0.929 3289 K CB 0.915 33.373 32.500 -0.070 0.000 1.021 3289 K HN 0.085 nan 8.250 nan 0.000 0.463 3290 T N -2.399 112.152 114.554 -0.006 0.000 2.813 3290 T HA 0.035 4.297 4.350 -0.146 0.000 0.297 3290 T C 1.284 176.038 174.700 0.089 0.000 1.036 3290 T CA -0.471 61.644 62.100 0.024 0.000 1.044 3290 T CB 1.019 69.900 68.868 0.022 0.000 0.993 3290 T HN 0.628 nan 8.240 nan 0.000 0.535 3291 E N 0.373 120.653 120.200 0.132 0.000 2.077 3291 E HA -0.201 4.061 4.350 -0.146 0.000 0.193 3291 E C 1.684 178.448 176.600 0.274 0.000 0.989 3291 E CA 1.401 57.970 56.400 0.281 0.000 0.800 3291 E CB -0.078 29.695 29.700 0.122 0.000 0.746 3291 E HN 0.791 nan 8.360 nan 0.000 0.452 3292 E N 0.786 121.066 120.200 0.133 0.000 2.150 3292 E HA -0.151 4.112 4.350 -0.146 0.000 0.193 3292 E C 1.824 178.487 176.600 0.104 0.000 0.985 3292 E CA 1.036 57.498 56.400 0.103 0.000 0.814 3292 E CB -0.102 29.628 29.700 0.050 0.000 0.752 3292 E HN 0.360 nan 8.360 nan 0.000 0.466 3293 E N 0.145 120.396 120.200 0.084 0.000 2.072 3293 E HA -0.037 4.226 4.350 -0.146 0.000 0.190 3293 E C 1.798 178.425 176.600 0.046 0.000 0.982 3293 E CA 0.518 56.947 56.400 0.047 0.000 0.803 3293 E CB 0.009 29.718 29.700 0.015 0.000 0.755 3293 E HN 0.215 nan 8.360 nan 0.000 0.453 3294 L N 0.695 121.952 121.223 0.057 0.000 2.291 3294 L HA -0.125 4.128 4.340 -0.146 0.000 0.214 3294 L C 2.306 179.226 176.870 0.084 0.000 1.120 3294 L CA 0.045 54.847 54.840 -0.063 0.000 0.799 3294 L CB -0.138 41.700 42.059 -0.367 0.000 0.925 3294 L HN 0.224 nan 8.230 nan 0.000 0.446 3295 L N -0.144 121.257 121.223 0.297 0.000 2.109 3295 L HA -0.130 4.123 4.340 -0.146 0.000 0.207 3295 L C 2.326 179.303 176.870 0.179 0.000 1.086 3295 L CA 1.697 56.740 54.840 0.338 0.000 0.760 3295 L CB -0.485 41.738 42.059 0.274 0.000 0.910 3295 L HN 0.185 nan 8.230 nan 0.000 0.437 3296 E N -1.121 119.147 120.200 0.114 0.000 2.106 3296 E HA -0.181 4.082 4.350 -0.146 0.000 0.192 3296 E C 1.864 178.496 176.600 0.053 0.000 0.984 3296 E CA 1.646 58.087 56.400 0.068 0.000 0.806 3296 E CB -0.049 29.677 29.700 0.042 0.000 0.750 3296 E HN 0.523 nan 8.360 nan 0.000 0.458 3297 T N 0.384 114.965 114.554 0.046 0.000 2.821 3297 T HA -0.111 4.151 4.350 -0.146 0.000 0.267 3297 T C 1.957 176.701 174.700 0.073 0.000 1.046 3297 T CA 1.510 63.628 62.100 0.029 0.000 1.139 3297 T CB -0.284 68.582 68.868 -0.003 0.000 0.871 3297 T HN 0.161 nan 8.240 nan 0.000 0.454 3298 T N 2.243 116.885 114.554 0.147 0.000 2.746 3298 T HA -0.016 4.247 4.350 -0.146 0.000 0.267 3298 T C 1.824 176.630 174.700 0.175 0.000 1.039 3298 T CA 0.741 63.015 62.100 0.290 0.000 1.142 3298 T CB -0.356 68.722 68.868 0.350 0.000 0.866 3298 T HN 0.079 nan 8.240 nan 0.000 0.444 3299 L N 1.011 122.301 121.223 0.112 0.000 2.093 3299 L HA 0.029 4.281 4.340 -0.146 0.000 0.208 3299 L C 2.319 179.178 176.870 -0.018 0.000 1.085 3299 L CA 1.616 56.489 54.840 0.054 0.000 0.755 3299 L CB -0.560 41.531 42.059 0.052 0.000 0.904 3299 L HN 0.186 nan 8.230 nan 0.000 0.435 3300 K N -1.404 118.979 120.400 -0.029 0.000 2.097 3300 K HA -0.109 4.123 4.320 -0.146 0.000 0.205 3300 K C 1.934 178.444 176.600 -0.150 0.000 1.050 3300 K CA 1.002 57.249 56.287 -0.066 0.000 0.938 3300 K CB -0.144 32.330 32.500 -0.043 0.000 0.718 3300 K HN 0.217 nan 8.250 nan 0.000 0.442 3301 M N 0.846 120.294 119.600 -0.253 0.000 2.374 3301 M HA -0.060 4.333 4.480 -0.146 0.000 0.264 3301 M C 0.134 176.058 176.300 -0.626 0.000 1.067 3301 M CA 1.107 56.077 55.300 -0.550 0.000 1.103 3301 M CB -0.650 31.306 32.600 -1.075 0.000 1.402 3301 M HN 0.057 nan 8.290 nan 0.000 0.444 3302 K N 0.592 120.748 120.400 -0.406 0.000 3.393 3302 K HA -0.178 4.055 4.320 -0.146 0.000 0.272 3302 K C -0.653 175.818 176.600 -0.214 0.000 1.004 3302 K CA 0.047 56.198 56.287 -0.226 0.000 0.764 3302 K CB -2.107 30.302 32.500 -0.151 0.000 1.373 3302 K HN 0.152 nan 8.250 nan 0.000 0.458 3303 F N 0.452 120.420 119.950 0.030 0.000 2.435 3303 F HA 0.187 4.624 4.527 -0.150 0.000 0.316 3303 F C 2.017 177.832 175.800 0.025 0.000 1.220 3303 F CA -0.231 57.787 58.000 0.030 0.000 1.241 3303 F CB 0.370 39.399 39.000 0.048 0.000 1.234 3303 F HN 0.119 nan 8.300 nan 0.000 0.569 3304 L N 0.764 122.135 121.223 0.246 0.000 3.717 3304 L HA -0.258 3.994 4.340 -0.146 0.000 0.414 3304 L C -0.313 176.611 176.870 0.090 0.000 1.228 3304 L CA 0.383 55.305 54.840 0.136 0.000 0.918 3304 L CB -1.727 40.399 42.059 0.113 0.000 1.865 3304 L HN 0.600 nan 8.230 nan 0.000 0.922 3305 S N 0.147 115.894 115.700 0.077 0.000 2.614 3305 S HA 0.556 4.938 4.470 -0.146 0.000 0.275 3305 S C -0.589 174.022 174.600 0.019 0.000 1.161 3305 S CA -0.765 57.459 58.200 0.040 0.000 0.969 3305 S CB 1.733 64.939 63.200 0.011 0.000 1.059 3305 S HN 0.246 nan 8.310 nan 0.000 0.482 3306 L N 4.505 125.730 121.223 0.003 0.000 2.500 3306 L HA 0.374 4.626 4.340 -0.146 0.000 0.272 3306 L C -0.099 176.715 176.870 -0.093 0.000 1.149 3306 L CA 0.441 55.239 54.840 -0.071 0.000 0.897 3306 L CB 0.277 42.185 42.059 -0.251 0.000 1.178 3306 L HN 0.648 nan 8.230 nan 0.000 0.473 3307 D N 4.483 124.835 120.400 -0.081 0.000 2.338 3307 D HA 0.059 4.611 4.640 -0.146 0.000 0.255 3307 D C 1.037 177.282 176.300 -0.091 0.000 1.237 3307 D CA 0.110 54.063 54.000 -0.079 0.000 0.883 3307 D CB 0.765 41.522 40.800 -0.071 0.000 1.087 3307 D HN 0.619 nan 8.370 nan 0.000 0.485 3308 L N 2.622 123.797 121.223 -0.080 0.000 2.240 3308 L HA -0.053 4.199 4.340 -0.146 0.000 0.211 3308 L C 1.087 177.930 176.870 -0.044 0.000 1.106 3308 L CA 0.624 55.422 54.840 -0.070 0.000 0.793 3308 L CB -0.252 41.772 42.059 -0.059 0.000 0.927 3308 L HN 0.488 nan 8.230 nan 0.000 0.446 3309 Q N 0.436 120.212 119.800 -0.039 0.000 2.375 3309 Q HA 0.624 4.876 4.340 -0.146 0.000 0.271 3309 Q C -0.440 175.542 176.000 -0.030 0.000 1.074 3309 Q CA -0.463 55.326 55.803 -0.023 0.000 0.808 3309 Q CB 2.808 31.537 28.738 -0.015 0.000 1.327 3309 Q HN 0.071 nan 8.270 nan 0.000 0.441 3310 G N 1.787 110.576 108.800 -0.019 0.000 2.697 3310 G HA2 -0.113 3.760 3.960 -0.146 0.000 0.684 3310 G HA3 -0.113 3.760 3.960 -0.146 0.000 0.684 3310 G C -1.223 173.656 174.900 -0.035 0.000 1.274 3310 G CA -0.712 44.374 45.100 -0.024 0.000 0.806 3310 G HN 0.753 nan 8.290 nan 0.000 0.644 3311 D N 2.380 122.767 120.400 -0.021 0.000 2.479 3311 D HA 0.114 4.666 4.640 -0.146 0.000 0.257 3311 D C -0.611 175.608 176.300 -0.136 0.000 1.230 3311 D CA -0.700 53.279 54.000 -0.034 0.000 0.912 3311 D CB 1.185 41.984 40.800 -0.002 0.000 1.130 3311 D HN 0.052 nan 8.370 nan 0.000 0.515 3312 P HA -0.102 nan 4.420 nan 0.000 0.221 3312 P C 0.870 178.009 177.300 -0.269 0.000 1.145 3312 P CA 0.957 63.824 63.100 -0.389 0.000 0.795 3312 P CB 0.182 31.389 31.700 -0.822 0.000 0.775 3313 R N -0.368 119.922 120.500 -0.350 0.000 2.339 3313 R HA 0.005 4.258 4.340 -0.146 0.000 0.199 3313 R C 1.121 177.413 176.300 -0.014 0.000 1.018 3313 R CA 0.715 56.701 56.100 -0.190 0.000 1.036 3313 R CB -0.237 29.895 30.300 -0.280 0.000 0.899 3313 R HN 0.386 nan 8.270 nan 0.000 0.473 3314 E N -0.263 119.916 120.200 -0.034 0.000 2.641 3314 E HA 0.034 4.296 4.350 -0.146 0.000 0.224 3314 E C -0.473 176.122 176.600 -0.009 0.000 0.951 3314 E CA -0.104 56.291 56.400 -0.009 0.000 1.102 3314 E CB 1.080 30.771 29.700 -0.015 0.000 1.091 3314 E HN 0.124 nan 8.360 nan 0.000 0.507 3315 S N 0.768 116.456 115.700 -0.019 0.000 2.523 3315 S HA 0.331 4.714 4.470 -0.146 0.000 0.275 3315 S C -0.034 174.575 174.600 0.016 0.000 1.281 3315 S CA -0.674 57.515 58.200 -0.018 0.000 1.050 3315 S CB 1.731 64.906 63.200 -0.041 0.000 0.937 3315 S HN -0.031 nan 8.310 nan 0.000 0.492 3316 Q N 2.910 122.734 119.800 0.041 0.000 2.462 3316 Q HA 0.368 4.620 4.340 -0.146 0.000 0.247 3316 Q C -1.675 174.444 176.000 0.198 0.000 1.044 3316 Q CA -2.261 53.608 55.803 0.111 0.000 0.803 3316 Q CB 1.449 30.288 28.738 0.169 0.000 1.190 3316 Q HN 0.563 nan 8.270 nan 0.000 0.507 3317 P HA -0.073 nan 4.420 nan 0.000 0.230 3317 P C -0.634 176.838 177.300 0.287 0.000 1.158 3317 P CA 0.653 63.862 63.100 0.182 0.000 0.769 3317 P CB 0.163 31.915 31.700 0.087 0.000 0.807 3318 L N -5.232 116.133 121.223 0.237 0.000 3.055 3318 L HA 0.379 4.631 4.340 -0.146 0.000 0.260 3318 L C -1.607 175.166 176.870 -0.162 0.000 0.986 3318 L CA -1.143 53.667 54.840 -0.051 0.000 1.009 3318 L CB 0.238 42.245 42.059 -0.088 0.000 1.508 3318 L HN -0.361 nan 8.230 nan 0.000 0.407 3319 L N 1.032 122.043 121.223 -0.353 0.000 2.289 3319 L HA 0.947 5.199 4.340 -0.146 0.000 0.285 3319 L C 0.693 177.410 176.870 -0.255 0.000 1.049 3319 L CA 0.203 54.930 54.840 -0.189 0.000 0.804 3319 L CB 1.045 43.035 42.059 -0.113 0.000 1.195 3319 L HN 1.025 nan 8.230 nan 0.000 0.428 3320 G N 1.061 109.715 108.800 -0.244 0.000 3.085 3320 G HA2 0.360 4.232 3.960 -0.146 0.000 0.264 3320 G HA3 0.360 4.232 3.960 -0.146 0.000 0.264 3320 G C -0.919 173.814 174.900 -0.277 0.000 1.206 3320 G CA -0.416 44.392 45.100 -0.486 0.000 0.809 3320 G HN 0.353 nan 8.290 nan 0.000 0.592 3321 T N 0.782 115.208 114.554 -0.213 0.000 2.902 3321 T HA 0.415 4.678 4.350 -0.146 0.000 0.301 3321 T C 0.555 175.238 174.700 -0.028 0.000 1.012 3321 T CA 0.462 62.582 62.100 0.034 0.000 1.151 3321 T CB 0.611 69.509 68.868 0.050 0.000 0.946 3321 T HN 1.189 nan 8.240 nan 0.000 0.542 3322 V N 0.756 120.663 119.914 -0.011 0.000 3.155 3322 V HA 0.640 4.672 4.120 -0.146 0.000 0.313 3322 V C -0.532 175.518 176.094 -0.073 0.000 1.162 3322 V CA -1.330 60.932 62.300 -0.063 0.000 1.048 3322 V CB 1.791 33.562 31.823 -0.087 0.000 1.092 3322 V HN 0.578 nan 8.190 nan 0.000 0.447 3323 I N 3.396 123.918 120.570 -0.080 0.000 2.268 3323 I HA 0.281 4.364 4.170 -0.146 0.000 0.290 3323 I C 0.859 176.928 176.117 -0.080 0.000 1.125 3323 I CA 0.002 61.257 61.300 -0.075 0.000 1.236 3323 I CB -0.035 37.925 38.000 -0.066 0.000 1.469 3323 I HN 0.960 nan 8.210 nan 0.000 0.512 3324 D N 3.728 124.074 120.400 -0.091 0.000 2.289 3324 D HA -0.034 4.518 4.640 -0.146 0.000 0.207 3324 D C 1.352 177.609 176.300 -0.072 0.000 0.966 3324 D CA 0.990 54.927 54.000 -0.104 0.000 0.868 3324 D CB 0.472 41.179 40.800 -0.155 0.000 0.943 3324 D HN 0.658 nan 8.370 nan 0.000 0.514 3325 G N 0.152 108.919 108.800 -0.055 0.000 2.141 3325 G HA2 -0.248 3.624 3.960 -0.146 0.000 0.242 3325 G HA3 -0.248 3.624 3.960 -0.146 0.000 0.242 3325 G C 0.815 175.701 174.900 -0.023 0.000 0.982 3325 G CA 0.631 45.709 45.100 -0.036 0.000 0.662 3325 G HN 0.283 nan 8.290 nan 0.000 0.527 3326 M N -1.828 117.757 119.600 -0.026 0.000 2.583 3326 M HA 0.410 4.803 4.480 -0.146 0.000 0.217 3326 M C 2.061 178.357 176.300 -0.006 0.000 1.655 3326 M CA 0.903 56.200 55.300 -0.006 0.000 1.114 3326 M CB -0.885 31.719 32.600 0.006 0.000 1.384 3326 M HN 0.238 nan 8.290 nan 0.000 0.562 3327 L N 0.649 121.858 121.223 -0.024 0.000 2.145 3327 L HA 0.305 4.557 4.340 -0.146 0.000 0.201 3327 L C 0.170 177.011 176.870 -0.048 0.000 1.075 3327 L CA 1.339 56.162 54.840 -0.029 0.000 0.773 3327 L CB 0.320 42.357 42.059 -0.037 0.000 0.936 3327 L HN 0.096 nan 8.230 nan 0.000 0.451 3328 L N -0.040 121.147 121.223 -0.060 0.000 2.381 3328 L HA 0.282 4.535 4.340 -0.146 0.000 0.274 3328 L C 0.187 177.028 176.870 -0.047 0.000 0.988 3328 L CA -0.350 54.452 54.840 -0.063 0.000 0.824 3328 L CB 2.082 44.087 42.059 -0.090 0.000 1.263 3328 L HN 0.048 nan 8.230 nan 0.000 0.410 3329 L N 2.429 123.633 121.223 -0.033 0.000 2.554 3329 L HA 0.202 4.454 4.340 -0.146 0.000 0.225 3329 L C 0.326 177.181 176.870 -0.026 0.000 1.104 3329 L CA 0.547 55.371 54.840 -0.025 0.000 0.866 3329 L CB -0.011 42.041 42.059 -0.012 0.000 1.047 3329 L HN 0.621 nan 8.230 nan 0.000 0.468 3330 K N -1.565 118.816 120.400 -0.030 0.000 2.571 3330 K HA 0.383 4.616 4.320 -0.146 0.000 0.289 3330 K C -0.540 176.034 176.600 -0.043 0.000 1.028 3330 K CA -0.800 55.468 56.287 -0.031 0.000 0.895 3330 K CB 0.685 33.175 32.500 -0.016 0.000 1.534 3330 K HN -0.166 nan 8.250 nan 0.000 0.421 3331 T N -1.757 112.770 114.554 -0.045 0.000 2.903 3331 T HA 0.076 4.339 4.350 -0.146 0.000 0.314 3331 T C -1.872 172.793 174.700 -0.060 0.000 1.078 3331 T CA -0.816 61.249 62.100 -0.059 0.000 1.114 3331 T CB 0.355 69.188 68.868 -0.058 0.000 0.987 3331 T HN 0.245 nan 8.240 nan 0.000 0.548 3332 P HA -0.108 nan 4.420 nan 0.000 0.216 3332 P C 1.298 178.561 177.300 -0.061 0.000 1.150 3332 P CA 1.138 64.185 63.100 -0.088 0.000 0.843 3332 P CB 0.076 31.709 31.700 -0.111 0.000 0.787 3333 E N -0.113 120.055 120.200 -0.053 0.000 2.017 3333 E HA -0.193 4.070 4.350 -0.146 0.000 0.193 3333 E C 1.948 178.547 176.600 -0.003 0.000 0.997 3333 E CA 1.324 57.706 56.400 -0.030 0.000 0.804 3333 E CB -0.910 28.766 29.700 -0.040 0.000 0.757 3333 E HN 0.395 nan 8.360 nan 0.000 0.448 3334 E N 0.350 120.545 120.200 -0.007 0.000 2.160 3334 E HA -0.174 4.089 4.350 -0.146 0.000 0.195 3334 E C 2.036 178.656 176.600 0.034 0.000 0.991 3334 E CA 0.734 57.139 56.400 0.010 0.000 0.810 3334 E CB -0.168 29.532 29.700 -0.001 0.000 0.742 3334 E HN 0.230 nan 8.360 nan 0.000 0.466 3335 L N 0.672 121.913 121.223 0.030 0.000 2.217 3335 L HA -0.187 4.065 4.340 -0.146 0.000 0.211 3335 L C 2.425 179.393 176.870 0.164 0.000 1.107 3335 L CA 1.008 55.892 54.840 0.073 0.000 0.783 3335 L CB -0.270 41.803 42.059 0.022 0.000 0.919 3335 L HN 0.179 nan 8.230 nan 0.000 0.442 3336 Q N -0.028 119.846 119.800 0.124 0.000 2.020 3336 Q HA -0.112 4.140 4.340 -0.146 0.000 0.198 3336 Q C 2.341 178.471 176.000 0.216 0.000 0.974 3336 Q CA 1.435 57.373 55.803 0.225 0.000 0.829 3336 Q CB -0.275 28.536 28.738 0.121 0.000 0.894 3336 Q HN 0.499 nan 8.270 nan 0.000 0.433 3337 A N 0.962 123.853 122.820 0.119 0.000 2.225 3337 A HA -0.192 4.040 4.320 -0.146 0.000 0.215 3337 A C 1.609 179.235 177.584 0.069 0.000 1.164 3337 A CA 1.076 53.162 52.037 0.082 0.000 0.710 3337 A CB -0.291 18.741 19.000 0.052 0.000 0.780 3337 A HN 0.339 nan 8.150 nan 0.000 0.473 3338 E N -0.697 119.559 120.200 0.094 0.000 2.474 3338 E HA 0.005 4.268 4.350 -0.146 0.000 0.194 3338 E C 0.055 176.669 176.600 0.023 0.000 1.041 3338 E CA -0.304 56.133 56.400 0.062 0.000 0.874 3338 E CB 0.074 29.819 29.700 0.076 0.000 0.914 3338 E HN 0.308 nan 8.360 nan 0.000 0.498 3339 R N 0.732 121.241 120.500 0.016 0.000 3.591 3339 R HA -0.235 4.018 4.340 -0.146 0.000 0.268 3339 R C -0.614 175.514 176.300 -0.287 0.000 1.102 3339 R CA 0.962 56.943 56.100 -0.197 0.000 0.732 3339 R CB -2.719 27.494 30.300 -0.144 0.000 1.117 3339 R HN 0.196 nan 8.270 nan 0.000 0.472 3340 N N 0.550 119.180 118.700 -0.117 0.000 2.800 3340 N HA 0.387 5.039 4.740 -0.146 0.000 0.240 3340 N C -1.218 174.373 175.510 0.135 0.000 1.096 3340 N CA -0.645 52.379 53.050 -0.044 0.000 0.877 3340 N CB 0.425 38.931 38.487 0.032 0.000 1.138 3340 N HN 0.204 nan 8.380 nan 0.000 0.509 3341 F N -1.233 118.727 119.950 0.016 0.000 2.714 3341 F HA 0.240 4.680 4.527 -0.144 0.000 0.313 3341 F C -0.985 174.861 175.800 0.077 0.000 1.104 3341 F CA -1.226 56.798 58.000 0.041 0.000 1.005 3341 F CB 0.351 39.382 39.000 0.053 0.000 1.268 3341 F HN 0.170 nan 8.300 nan 0.000 0.449 3342 H N 2.008 121.172 119.070 0.158 0.000 3.070 3342 H HA 0.297 4.765 4.556 -0.146 0.000 0.313 3342 H C -0.052 175.356 175.328 0.132 0.000 0.997 3342 H CA 0.674 56.742 56.048 0.034 0.000 1.438 3342 H CB 0.985 30.706 29.762 -0.068 0.000 1.455 3342 H HN 0.828 nan 8.280 nan 0.000 0.575 3343 T N 3.571 118.208 114.554 0.138 0.000 2.794 3343 T HA 0.388 4.651 4.350 -0.146 0.000 0.304 3343 T C 0.195 174.857 174.700 -0.063 0.000 0.973 3343 T CA -0.790 61.317 62.100 0.012 0.000 0.972 3343 T CB -0.003 68.793 68.868 -0.121 0.000 0.952 3343 T HN 0.366 nan 8.240 nan 0.000 0.509 3344 V N 0.599 120.547 119.914 0.056 0.000 2.919 3344 V HA 0.771 4.803 4.120 -0.146 0.000 0.316 3344 V C -2.987 173.277 176.094 0.282 0.000 1.077 3344 V CA -3.573 58.728 62.300 0.001 0.000 0.977 3344 V CB 1.375 33.120 31.823 -0.130 0.000 1.039 3344 V HN 0.445 nan 8.190 nan 0.000 0.441 3345 P HA 0.143 nan 4.420 nan 0.000 0.264 3345 P C -1.434 176.209 177.300 0.571 0.000 1.193 3345 P CA 0.679 63.980 63.100 0.335 0.000 0.763 3345 P CB -0.168 31.542 31.700 0.016 0.000 0.810 3346 Y N 3.714 124.251 120.300 0.394 0.000 2.346 3346 Y HA 0.482 4.944 4.550 -0.146 0.000 0.332 3346 Y C -0.664 175.217 175.900 -0.033 0.000 0.985 3346 Y CA -1.428 56.725 58.100 0.089 0.000 1.112 3346 Y CB 1.372 39.478 38.460 -0.590 0.000 1.170 3346 Y HN 0.213 nan 8.280 nan 0.000 0.447 3347 M N 7.831 127.347 119.600 -0.139 0.000 2.129 3347 M HA 0.563 4.956 4.480 -0.146 0.000 0.348 3347 M C -2.106 173.917 176.300 -0.462 0.000 1.116 3347 M CA -0.641 54.350 55.300 -0.516 0.000 1.022 3347 M CB 0.823 32.767 32.600 -1.094 0.000 1.599 3347 M HN 0.438 nan 8.290 nan 0.000 0.449 3348 V N 4.552 124.181 119.914 -0.476 0.000 2.487 3348 V HA 0.895 4.927 4.120 -0.146 0.000 0.298 3348 V C 0.212 176.022 176.094 -0.473 0.000 1.028 3348 V CA -0.584 61.416 62.300 -0.501 0.000 0.860 3348 V CB 1.553 32.980 31.823 -0.661 0.000 0.991 3348 V HN 1.011 nan 8.190 nan 0.000 0.427 3349 G N 3.737 112.178 108.800 -0.599 0.000 2.694 3349 G HA2 0.903 4.776 3.960 -0.146 0.000 0.290 3349 G HA3 0.903 4.776 3.960 -0.146 0.000 0.290 3349 G C -1.264 173.256 174.900 -0.632 0.000 1.386 3349 G CA -0.651 43.734 45.100 -1.192 0.000 0.872 3349 G HN 0.948 nan 8.290 nan 0.000 0.475 3350 I N -2.688 117.584 120.570 -0.496 0.000 3.279 3350 I HA 0.616 4.699 4.170 -0.146 0.000 0.315 3350 I C -1.198 174.932 176.117 0.022 0.000 1.187 3350 I CA -1.390 59.819 61.300 -0.152 0.000 0.953 3350 I CB 2.446 40.399 38.000 -0.078 0.000 1.279 3350 I HN 0.449 nan 8.210 nan 0.000 0.465 3351 N N 1.290 120.030 118.700 0.067 0.000 2.384 3351 N HA 0.268 4.920 4.740 -0.146 0.000 0.301 3351 N C 0.030 175.626 175.510 0.143 0.000 1.133 3351 N CA -0.830 52.332 53.050 0.187 0.000 0.853 3351 N CB 2.232 40.831 38.487 0.188 0.000 1.241 3351 N HN 0.527 nan 8.380 nan 0.000 0.502 3352 K N 0.796 121.297 120.400 0.169 0.000 2.059 3352 K HA -0.176 4.057 4.320 -0.146 0.000 0.212 3352 K C 0.090 176.770 176.600 0.133 0.000 1.050 3352 K CA 1.883 58.250 56.287 0.133 0.000 0.927 3352 K CB 0.117 32.687 32.500 0.117 0.000 0.714 3352 K HN 0.544 nan 8.250 nan 0.000 0.447 3353 Q N 0.095 119.983 119.800 0.146 0.000 2.943 3353 Q HA 0.108 4.360 4.340 -0.146 0.000 0.327 3353 Q C -0.206 175.890 176.000 0.161 0.000 0.937 3353 Q CA -0.299 55.597 55.803 0.156 0.000 0.914 3353 Q CB 1.374 30.204 28.738 0.153 0.000 1.339 3353 Q HN 0.171 nan 8.270 nan 0.000 0.417 3354 E N 0.135 120.411 120.200 0.126 0.000 2.160 3354 E HA -0.176 4.086 4.350 -0.146 0.000 0.195 3354 E C 0.454 177.151 176.600 0.162 0.000 0.991 3354 E CA 1.230 57.660 56.400 0.049 0.000 0.810 3354 E CB 0.172 29.747 29.700 -0.209 0.000 0.742 3354 E HN 0.448 nan 8.360 nan 0.000 0.466 3355 F N 0.239 120.217 119.950 0.046 0.000 2.772 3355 F HA 0.288 4.728 4.527 -0.145 0.000 0.302 3355 F C 1.671 177.496 175.800 0.042 0.000 1.136 3355 F CA -0.266 57.744 58.000 0.016 0.000 1.322 3355 F CB 0.507 39.495 39.000 -0.020 0.000 0.967 3355 F HN -0.085 nan 8.300 nan 0.000 0.513 3356 G N 0.337 109.224 108.800 0.145 0.000 2.421 3356 G HA2 -0.280 3.593 3.960 -0.146 0.000 0.216 3356 G HA3 -0.280 3.593 3.960 -0.146 0.000 0.216 3356 G C 1.031 176.048 174.900 0.195 0.000 1.171 3356 G CA 1.459 46.661 45.100 0.170 0.000 0.775 3356 G HN 0.611 nan 8.290 nan 0.000 0.543 3357 W N -1.203 120.058 121.300 -0.066 0.000 5.441 3357 W HA 0.318 4.891 4.660 -0.145 0.000 0.169 3357 W C 1.901 178.343 176.519 -0.128 0.000 1.574 3357 W CA 0.144 57.442 57.345 -0.079 0.000 2.017 3357 W CB -0.652 28.801 29.460 -0.012 0.000 0.678 3357 W HN 0.029 nan 8.180 nan 0.000 1.088 3358 L N 1.816 122.901 121.223 -0.229 0.000 2.011 3358 L HA -0.298 3.955 4.340 -0.146 0.000 0.225 3358 L C 2.222 178.761 176.870 -0.551 0.000 1.084 3358 L CA 3.245 57.780 54.840 -0.509 0.000 0.791 3358 L CB -0.808 41.251 42.059 0.000 0.000 0.898 3358 L HN 0.217 nan 8.230 nan 0.000 0.440 3359 I N -0.899 119.391 120.570 -0.467 0.000 2.202 3359 I HA -0.195 3.888 4.170 -0.146 0.000 0.242 3359 I C -0.410 175.342 176.117 -0.608 0.000 1.091 3359 I CA 1.147 62.146 61.300 -0.503 0.000 1.368 3359 I CB -1.687 36.021 38.000 -0.488 0.000 1.058 3359 I HN 0.290 nan 8.210 nan 0.000 0.410 3360 P HA -0.146 nan 4.420 nan 0.000 0.218 3360 P C 1.104 178.225 177.300 -0.299 0.000 1.149 3360 P CA 1.106 63.795 63.100 -0.686 0.000 0.817 3360 P CB 0.014 31.258 31.700 -0.760 0.000 0.785 3364 M N 0.044 119.626 119.600 -0.031 0.000 2.431 3364 M HA 0.203 4.596 4.480 -0.146 0.000 0.237 3364 M C 0.296 176.653 176.300 0.095 0.000 1.130 3364 M CA 0.173 55.519 55.300 0.078 0.000 1.002 3364 M CB 0.620 33.341 32.600 0.201 0.000 1.524 3364 M HN 0.169 nan 8.290 nan 0.000 0.482 3365 S N 0.599 116.333 115.700 0.057 0.000 3.667 3365 S HA -0.169 4.213 4.470 -0.146 0.000 0.405 3365 S C -0.605 174.049 174.600 0.090 0.000 0.913 3365 S CA 0.199 58.428 58.200 0.049 0.000 1.288 3365 S CB -1.745 61.460 63.200 0.008 0.000 0.905 3365 S HN 0.416 nan 8.310 nan 0.000 0.550 3366 Y N 1.125 121.422 120.300 -0.004 0.000 2.346 3366 Y HA 0.330 4.792 4.550 -0.147 0.000 0.330 3366 Y C -1.603 174.323 175.900 0.044 0.000 1.178 3366 Y CA -1.598 56.535 58.100 0.055 0.000 1.331 3366 Y CB 0.405 38.930 38.460 0.109 0.000 1.253 3366 Y HN 0.120 nan 8.280 nan 0.000 0.529 3367 P HA 0.126 nan 4.420 nan 0.000 0.232 3367 P C -0.269 177.086 177.300 0.091 0.000 1.738 3367 P CA 0.631 63.761 63.100 0.049 0.000 0.948 3367 P CB -0.353 31.341 31.700 -0.010 0.000 1.943 3368 L N -0.737 120.569 121.223 0.138 0.000 3.017 3368 L HA 0.172 4.425 4.340 -0.146 0.000 0.255 3368 L C 1.968 178.898 176.870 0.100 0.000 1.247 3368 L CA 0.077 54.995 54.840 0.129 0.000 1.038 3368 L CB -0.139 42.032 42.059 0.186 0.000 1.380 3368 L HN 0.088 nan 8.230 nan 0.000 0.548 3369 S N 0.511 116.258 115.700 0.079 0.000 2.387 3369 S HA -0.206 4.177 4.470 -0.146 0.000 0.230 3369 S C 1.886 176.521 174.600 0.058 0.000 1.035 3369 S CA 1.601 59.841 58.200 0.066 0.000 1.014 3369 S CB 0.084 63.313 63.200 0.049 0.000 0.836 3369 S HN 0.455 nan 8.310 nan 0.000 0.466 3370 E N -0.135 120.095 120.200 0.050 0.000 2.150 3370 E HA -0.001 4.262 4.350 -0.146 0.000 0.193 3370 E C 1.704 178.333 176.600 0.048 0.000 0.985 3370 E CA 0.842 57.267 56.400 0.042 0.000 0.814 3370 E CB -0.555 29.163 29.700 0.031 0.000 0.752 3370 E HN 0.695 nan 8.360 nan 0.000 0.466 3371 G N 1.135 109.973 108.800 0.063 0.000 2.159 3371 G HA2 -0.286 3.586 3.960 -0.146 0.000 0.256 3371 G HA3 -0.286 3.586 3.960 -0.146 0.000 0.256 3371 G C 0.270 175.208 174.900 0.063 0.000 0.977 3371 G CA 0.644 45.786 45.100 0.070 0.000 0.652 3371 G HN 0.321 nan 8.290 nan 0.000 0.531 3372 Q N -1.529 118.301 119.800 0.050 0.000 2.484 3372 Q HA 0.875 5.127 4.340 -0.146 0.000 0.285 3372 Q C -1.375 174.638 176.000 0.022 0.000 1.097 3372 Q CA -1.021 54.806 55.803 0.040 0.000 0.802 3372 Q CB 2.519 31.276 28.738 0.031 0.000 1.444 3372 Q HN 0.303 nan 8.270 nan 0.000 0.429 3373 L N 1.606 122.838 121.223 0.015 0.000 2.611 3373 L HA 0.301 4.553 4.340 -0.146 0.000 0.260 3373 L C -1.784 175.086 176.870 -0.001 0.000 0.924 3373 L CA -0.312 54.514 54.840 -0.022 0.000 0.901 3373 L CB 2.031 44.043 42.059 -0.078 0.000 1.369 3373 L HN 0.739 nan 8.230 nan 0.000 0.415 3374 D N 2.646 123.041 120.400 -0.008 0.000 2.384 3374 D HA 0.259 4.811 4.640 -0.146 0.000 0.250 3374 D C 0.170 176.478 176.300 0.014 0.000 1.029 3374 D CA -0.551 53.456 54.000 0.012 0.000 0.990 3374 D CB 1.107 41.914 40.800 0.012 0.000 1.175 3374 D HN 0.410 nan 8.370 nan 0.000 0.532 3375 Q N 0.625 120.445 119.800 0.034 0.000 1.998 3375 Q HA -0.207 4.046 4.340 -0.146 0.000 0.209 3375 Q C 1.876 177.901 176.000 0.043 0.000 1.002 3375 Q CA 1.762 57.595 55.803 0.050 0.000 0.858 3375 Q CB -0.395 28.373 28.738 0.051 0.000 0.932 3375 Q HN 0.554 nan 8.270 nan 0.000 0.416 3376 K N -0.254 120.165 120.400 0.031 0.000 2.113 3376 K HA -0.117 4.116 4.320 -0.146 0.000 0.208 3376 K C 2.157 178.771 176.600 0.023 0.000 1.047 3376 K CA 1.651 57.956 56.287 0.029 0.000 0.928 3376 K CB -0.143 32.370 32.500 0.020 0.000 0.716 3376 K HN 0.237 nan 8.250 nan 0.000 0.446 3377 T N 0.656 115.210 114.554 -0.000 0.000 2.904 3377 T HA -0.039 4.224 4.350 -0.146 0.000 0.267 3377 T C 1.949 176.606 174.700 -0.072 0.000 1.059 3377 T CA 1.047 63.131 62.100 -0.026 0.000 1.137 3377 T CB -0.085 68.758 68.868 -0.042 0.000 0.879 3377 T HN 0.296 nan 8.240 nan 0.000 0.467 3378 A N 1.615 124.381 122.820 -0.091 0.000 1.898 3378 A HA -0.009 4.224 4.320 -0.146 0.000 0.216 3378 A C 2.329 179.965 177.584 0.086 0.000 1.181 3378 A CA 1.295 53.227 52.037 -0.176 0.000 0.620 3378 A CB -0.650 18.335 19.000 -0.025 0.000 0.819 3378 A HN 0.414 nan 8.150 nan 0.000 0.442 3379 M N -0.400 119.276 119.600 0.127 0.000 2.117 3379 M HA -0.138 4.255 4.480 -0.146 0.000 0.262 3379 M C 2.407 178.833 176.300 0.210 0.000 1.065 3379 M CA 1.769 57.178 55.300 0.183 0.000 1.114 3379 M CB -0.380 32.293 32.600 0.121 0.000 1.361 3379 M HN 0.424 nan 8.290 nan 0.000 0.408 3380 S N 0.763 116.552 115.700 0.148 0.000 2.382 3380 S HA -0.076 4.307 4.470 -0.146 0.000 0.228 3380 S C 1.838 176.566 174.600 0.212 0.000 1.027 3380 S CA 0.949 59.257 58.200 0.180 0.000 0.991 3380 S CB -0.308 62.954 63.200 0.103 0.000 0.823 3380 S HN 0.418 nan 8.310 nan 0.000 0.469 3381 L N 0.727 122.036 121.223 0.143 0.000 2.056 3381 L HA -0.067 4.186 4.340 -0.146 0.000 0.207 3381 L C 2.271 179.357 176.870 0.360 0.000 1.078 3381 L CA 0.981 55.919 54.840 0.163 0.000 0.749 3381 L CB -0.271 41.777 42.059 -0.018 0.000 0.901 3381 L HN 0.306 nan 8.230 nan 0.000 0.433 3382 L N -0.801 120.704 121.223 0.470 0.000 2.131 3382 L HA -0.262 3.990 4.340 -0.146 0.000 0.210 3382 L C 2.069 179.184 176.870 0.408 0.000 1.092 3382 L CA 1.727 56.848 54.840 0.468 0.000 0.759 3382 L CB -0.718 41.617 42.059 0.461 0.000 0.903 3382 L HN 0.390 nan 8.230 nan 0.000 0.435 3383 W N 0.169 121.582 121.300 0.189 0.000 2.407 3383 W HA -0.182 4.392 4.660 -0.143 0.000 0.305 3383 W C 2.036 178.648 176.519 0.156 0.000 1.196 3383 W CA 0.578 58.018 57.345 0.158 0.000 1.311 3383 W CB 0.098 29.614 29.460 0.092 0.000 1.135 3383 W HN 0.012 nan 8.180 nan 0.000 0.514 3384 K N 0.723 121.127 120.400 0.006 0.000 2.103 3384 K HA -0.128 4.104 4.320 -0.146 0.000 0.207 3384 K C 1.743 178.280 176.600 -0.105 0.000 1.048 3384 K CA 1.519 57.719 56.287 -0.145 0.000 0.930 3384 K CB -0.939 31.527 32.500 -0.057 0.000 0.716 3384 K HN 0.051 nan 8.250 nan 0.000 0.444 3385 S N 0.884 116.608 115.700 0.039 0.000 2.660 3385 S HA -0.050 4.332 4.470 -0.146 0.000 0.223 3385 S C 1.251 175.854 174.600 0.006 0.000 0.963 3385 S CA -0.166 58.081 58.200 0.079 0.000 0.932 3385 S CB -0.389 62.927 63.200 0.192 0.000 0.775 3385 S HN 0.274 nan 8.310 nan 0.000 0.531 3386 Y N 3.946 124.130 120.300 -0.193 0.000 2.096 3386 Y HA -0.204 4.259 4.550 -0.146 0.000 0.278 3386 Y C -0.793 175.012 175.900 -0.158 0.000 1.192 3386 Y CA 1.906 59.874 58.100 -0.220 0.000 1.143 3386 Y CB -1.292 36.844 38.460 -0.539 0.000 0.963 3386 Y HN 0.261 nan 8.280 nan 0.000 0.505 3387 P HA -0.165 nan 4.420 nan 0.000 0.223 3387 P C 1.207 178.393 177.300 -0.191 0.000 1.144 3387 P CA 1.701 64.702 63.100 -0.164 0.000 0.783 3387 P CB -0.106 31.564 31.700 -0.050 0.000 0.771 3388 L N -1.051 120.070 121.223 -0.171 0.000 2.425 3388 L HA 0.067 4.320 4.340 -0.146 0.000 0.215 3388 L C 2.216 178.923 176.870 -0.272 0.000 1.065 3388 L CA 0.562 55.296 54.840 -0.177 0.000 0.842 3388 L CB -0.054 41.953 42.059 -0.086 0.000 1.033 3388 L HN -0.146 nan 8.230 nan 0.000 0.474 3389 V N -6.061 113.685 119.914 -0.280 0.000 3.502 3389 V HA 0.140 4.173 4.120 -0.146 0.000 0.288 3389 V C 1.006 176.935 176.094 -0.275 0.000 1.461 3389 V CA -0.667 61.465 62.300 -0.282 0.000 1.029 3389 V CB -0.343 31.338 31.823 -0.236 0.000 0.843 3389 V HN 0.404 nan 8.190 nan 0.000 0.438 3390 C N 1.905 120.904 119.300 -0.502 0.000 3.409 3390 C HA -0.183 4.190 4.460 -0.146 0.000 0.273 3390 C C 0.538 175.464 174.990 -0.107 0.000 1.375 3390 C CA 0.153 58.728 59.018 -0.739 0.000 2.175 3390 C CB -3.032 24.341 27.740 -0.612 0.000 1.410 3390 C HN 0.651 nan 8.230 nan 0.000 0.550 3391 I N 1.269 121.973 120.570 0.224 0.000 2.328 3391 I HA 0.471 4.554 4.170 -0.146 0.000 0.287 3391 I C 1.023 177.525 176.117 0.642 0.000 1.012 3391 I CA -0.017 61.582 61.300 0.500 0.000 1.195 3391 I CB 1.054 39.302 38.000 0.414 0.000 1.350 3391 I HN 0.568 nan 8.210 nan 0.000 0.464 3392 A N 6.048 129.192 122.820 0.541 0.000 2.561 3392 A HA -0.008 4.225 4.320 -0.146 0.000 0.234 3392 A C 1.489 179.230 177.584 0.261 0.000 1.055 3392 A CA 0.107 52.400 52.037 0.428 0.000 0.756 3392 A CB 0.160 19.319 19.000 0.266 0.000 0.986 3392 A HN 0.910 nan 8.150 nan 0.000 0.505 3393 K N 0.680 121.079 120.400 -0.001 0.000 2.218 3393 K HA -0.193 4.040 4.320 -0.146 0.000 0.205 3393 K C 1.663 178.173 176.600 -0.149 0.000 1.046 3393 K CA 1.928 58.007 56.287 -0.347 0.000 0.933 3393 K CB 0.047 31.974 32.500 -0.955 0.000 0.728 3393 K HN 0.903 nan 8.250 nan 0.000 0.454 3394 E N 0.285 120.448 120.200 -0.062 0.000 2.435 3394 E HA -0.130 4.132 4.350 -0.146 0.000 0.195 3394 E C 1.484 178.099 176.600 0.025 0.000 1.029 3394 E CA 0.565 56.948 56.400 -0.028 0.000 0.865 3394 E CB 0.044 29.734 29.700 -0.017 0.000 0.833 3394 E HN 0.383 nan 8.360 nan 0.000 0.510 3395 L N 0.452 121.720 121.223 0.075 0.000 2.554 3395 L HA 0.085 4.337 4.340 -0.146 0.000 0.225 3395 L C 2.274 179.218 176.870 0.122 0.000 1.104 3395 L CA -0.217 54.678 54.840 0.092 0.000 0.866 3395 L CB -0.168 41.964 42.059 0.122 0.000 1.047 3395 L HN 0.011 nan 8.230 nan 0.000 0.468 3396 I N 1.170 121.824 120.570 0.140 0.000 2.151 3396 I HA -0.205 3.878 4.170 -0.146 0.000 0.243 3396 I C -0.008 176.198 176.117 0.147 0.000 1.080 3396 I CA 2.042 63.447 61.300 0.175 0.000 1.339 3396 I CB -2.248 35.848 38.000 0.160 0.000 1.039 3396 I HN 0.185 nan 8.210 nan 0.000 0.409 3397 P HA -0.149 nan 4.420 nan 0.000 0.215 3397 P C 1.530 178.887 177.300 0.095 0.000 1.153 3397 P CA 1.442 64.592 63.100 0.083 0.000 0.853 3397 P CB -0.050 31.678 31.700 0.047 0.000 0.788 3398 E N -0.281 119.976 120.200 0.096 0.000 2.047 3398 E HA -0.132 4.131 4.350 -0.146 0.000 0.191 3398 E C 2.118 178.832 176.600 0.189 0.000 0.987 3398 E CA 1.239 57.707 56.400 0.115 0.000 0.799 3398 E CB -0.678 29.079 29.700 0.096 0.000 0.752 3398 E HN 0.153 nan 8.360 nan 0.000 0.449 3399 A N 1.331 124.283 122.820 0.219 0.000 1.858 3399 A HA -0.171 4.062 4.320 -0.146 0.000 0.216 3399 A C 2.459 180.216 177.584 0.287 0.000 1.190 3399 A CA 2.013 54.229 52.037 0.299 0.000 0.617 3399 A CB -1.048 18.157 19.000 0.342 0.000 0.827 3399 A HN 0.179 nan 8.150 nan 0.000 0.443 3400 T N -0.325 114.375 114.554 0.243 0.000 2.720 3400 T HA -0.151 4.112 4.350 -0.146 0.000 0.268 3400 T C 1.913 176.724 174.700 0.185 0.000 1.037 3400 T CA 1.763 64.007 62.100 0.240 0.000 1.144 3400 T CB -0.265 68.736 68.868 0.221 0.000 0.864 3400 T HN 0.599 nan 8.240 nan 0.000 0.444 3401 E N 1.465 121.738 120.200 0.122 0.000 2.110 3401 E HA -0.135 4.127 4.350 -0.146 0.000 0.193 3401 E C 2.052 178.652 176.600 0.001 0.000 0.988 3401 E CA 1.336 57.771 56.400 0.059 0.000 0.804 3401 E CB -0.223 29.498 29.700 0.035 0.000 0.745 3401 E HN 0.304 nan 8.360 nan 0.000 0.458 3402 K N -1.012 119.360 120.400 -0.046 0.000 2.097 3402 K HA -0.112 4.121 4.320 -0.146 0.000 0.205 3402 K C 1.600 178.054 176.600 -0.245 0.000 1.050 3402 K CA 1.443 57.556 56.287 -0.289 0.000 0.938 3402 K CB -0.449 31.598 32.500 -0.755 0.000 0.718 3402 K HN 0.248 nan 8.250 nan 0.000 0.442 3403 Y N -0.469 119.764 120.300 -0.112 0.000 2.441 3403 Y HA 0.209 4.672 4.550 -0.145 0.000 0.288 3403 Y C 1.638 177.555 175.900 0.028 0.000 1.118 3403 Y CA 0.692 58.778 58.100 -0.025 0.000 1.215 3403 Y CB 0.342 38.841 38.460 0.065 0.000 1.118 3403 Y HN -0.101 nan 8.280 nan 0.000 0.547 3404 L N -1.977 119.374 121.223 0.214 0.000 2.463 3404 L HA 0.224 4.477 4.340 -0.146 0.000 0.219 3404 L C 2.404 179.325 176.870 0.085 0.000 1.088 3404 L CA 0.691 55.626 54.840 0.159 0.000 0.849 3404 L CB -0.762 41.409 42.059 0.186 0.000 1.012 3404 L HN 0.190 nan 8.230 nan 0.000 0.468 3405 G N 0.735 109.568 108.800 0.055 0.000 2.499 3405 G HA2 -0.217 3.655 3.960 -0.146 0.000 0.221 3405 G HA3 -0.217 3.655 3.960 -0.146 0.000 0.221 3405 G C 1.474 176.377 174.900 0.005 0.000 1.109 3405 G CA 0.813 45.926 45.100 0.022 0.000 0.749 3405 G HN 0.489 nan 8.290 nan 0.000 0.568 3406 G N -0.578 108.220 108.800 -0.003 0.000 2.744 3406 G HA2 0.327 4.200 3.960 -0.146 0.000 0.211 3406 G HA3 0.327 4.200 3.960 -0.146 0.000 0.211 3406 G C 0.685 175.589 174.900 0.006 0.000 1.143 3406 G CA 1.176 46.269 45.100 -0.011 0.000 0.788 3406 G HN 0.736 nan 8.290 nan 0.000 0.534 3407 T N -4.077 110.490 114.554 0.023 0.000 2.864 3407 T HA 0.478 4.740 4.350 -0.146 0.000 0.299 3407 T C -0.590 174.129 174.700 0.032 0.000 1.166 3407 T CA -0.720 61.397 62.100 0.027 0.000 1.007 3407 T CB 2.382 71.271 68.868 0.035 0.000 1.219 3407 T HN -0.157 nan 8.240 nan 0.000 0.506 3408 D N -0.339 120.078 120.400 0.028 0.000 2.398 3408 D HA 0.096 4.648 4.640 -0.146 0.000 0.210 3408 D C -0.249 176.069 176.300 0.030 0.000 1.094 3408 D CA -0.048 53.968 54.000 0.027 0.000 0.839 3408 D CB 0.435 41.246 40.800 0.020 0.000 0.963 3408 D HN 0.590 nan 8.370 nan 0.000 0.506 3409 D N 1.816 122.236 120.400 0.034 0.000 2.338 3409 D HA -0.023 4.530 4.640 -0.146 0.000 0.255 3409 D C 1.536 177.863 176.300 0.046 0.000 1.237 3409 D CA 0.207 54.230 54.000 0.037 0.000 0.883 3409 D CB 1.264 42.086 40.800 0.038 0.000 1.087 3409 D HN 0.012 nan 8.370 nan 0.000 0.485 3410 T N 0.429 115.007 114.554 0.041 0.000 2.929 3410 T HA -0.105 4.157 4.350 -0.146 0.000 0.271 3410 T C 1.892 176.625 174.700 0.055 0.000 1.085 3410 T CA 0.647 62.774 62.100 0.044 0.000 1.125 3410 T CB -0.045 68.842 68.868 0.033 0.000 0.874 3410 T HN 0.213 nan 8.240 nan 0.000 0.494 3411 V N 1.405 121.353 119.914 0.055 0.000 2.346 3411 V HA -0.028 4.005 4.120 -0.146 0.000 0.244 3411 V C 2.771 178.916 176.094 0.085 0.000 1.037 3411 V CA 1.457 63.796 62.300 0.066 0.000 1.029 3411 V CB -0.467 31.389 31.823 0.055 0.000 0.663 3411 V HN 0.447 nan 8.190 nan 0.000 0.454 3412 K N 0.001 120.448 120.400 0.078 0.000 2.209 3412 K HA -0.174 4.059 4.320 -0.146 0.000 0.204 3412 K C 2.200 178.872 176.600 0.121 0.000 1.048 3412 K CA 1.211 57.553 56.287 0.091 0.000 0.940 3412 K CB -0.139 32.404 32.500 0.072 0.000 0.729 3412 K HN 0.396 nan 8.250 nan 0.000 0.451 3413 K N 0.766 121.236 120.400 0.117 0.000 2.097 3413 K HA -0.111 4.122 4.320 -0.146 0.000 0.205 3413 K C 2.122 178.845 176.600 0.204 0.000 1.050 3413 K CA 0.831 57.207 56.287 0.149 0.000 0.938 3413 K CB 0.073 32.639 32.500 0.110 0.000 0.718 3413 K HN -0.048 nan 8.250 nan 0.000 0.442 3414 K N 1.473 121.973 120.400 0.167 0.000 2.057 3414 K HA -0.172 4.061 4.320 -0.146 0.000 0.206 3414 K C 1.153 177.924 176.600 0.284 0.000 1.050 3414 K CA 1.668 58.077 56.287 0.204 0.000 0.935 3414 K CB -0.035 32.547 32.500 0.136 0.000 0.715 3414 K HN 0.080 nan 8.250 nan 0.000 0.439 3415 D N 0.952 121.481 120.400 0.215 0.000 2.123 3415 D HA -0.099 4.453 4.640 -0.146 0.000 0.200 3415 D C 2.077 178.511 176.300 0.223 0.000 0.976 3415 D CA 0.763 54.886 54.000 0.205 0.000 0.831 3415 D CB -0.043 40.848 40.800 0.152 0.000 0.974 3415 D HN 0.212 nan 8.370 nan 0.000 0.469 3416 L N -0.104 121.258 121.223 0.232 0.000 2.201 3416 L HA -0.095 4.157 4.340 -0.146 0.000 0.212 3416 L C 2.255 179.285 176.870 0.267 0.000 1.105 3416 L CA 0.323 55.320 54.840 0.260 0.000 0.775 3416 L CB -0.249 41.963 42.059 0.255 0.000 0.913 3416 L HN -0.040 nan 8.230 nan 0.000 0.440 3417 F N 0.601 120.635 119.950 0.140 0.000 2.186 3417 F HA -0.153 4.287 4.527 -0.146 0.000 0.299 3417 F C 2.083 177.921 175.800 0.063 0.000 1.090 3417 F CA 1.357 59.415 58.000 0.097 0.000 1.307 3417 F CB -0.033 39.038 39.000 0.119 0.000 1.019 3417 F HN -0.121 nan 8.300 nan 0.000 0.489 3418 L N -0.275 121.054 121.223 0.176 0.000 2.217 3418 L HA -0.154 4.098 4.340 -0.146 0.000 0.211 3418 L C 1.916 178.813 176.870 0.044 0.000 1.107 3418 L CA 0.950 55.878 54.840 0.147 0.000 0.783 3418 L CB -0.712 41.531 42.059 0.306 0.000 0.919 3418 L HN 0.093 nan 8.230 nan 0.000 0.442 3419 D N 0.012 120.457 120.400 0.074 0.000 2.149 3419 D HA -0.132 4.420 4.640 -0.146 0.000 0.201 3419 D C 2.098 178.382 176.300 -0.026 0.000 0.972 3419 D CA 0.754 54.822 54.000 0.113 0.000 0.835 3419 D CB 0.076 41.018 40.800 0.237 0.000 0.966 3419 D HN 0.116 nan 8.370 nan 0.000 0.476 3420 L N 1.601 122.654 121.223 -0.282 0.000 2.012 3420 L HA -0.163 4.089 4.340 -0.146 0.000 0.210 3420 L C 1.989 178.528 176.870 -0.551 0.000 1.073 3420 L CA 1.512 55.914 54.840 -0.730 0.000 0.748 3420 L CB -1.019 40.552 42.059 -0.813 0.000 0.891 3420 L HN -0.059 nan 8.230 nan 0.000 0.431 3421 I N 0.439 120.634 120.570 -0.626 0.000 2.179 3421 I HA -0.229 3.854 4.170 -0.146 0.000 0.242 3421 I C 2.762 178.614 176.117 -0.442 0.000 1.088 3421 I CA 1.450 62.323 61.300 -0.713 0.000 1.357 3421 I CB -1.939 35.296 38.000 -1.275 0.000 1.051 3421 I HN 0.332 nan 8.210 nan 0.000 0.409 3422 A N 0.577 123.287 122.820 -0.184 0.000 1.940 3422 A HA -0.224 4.008 4.320 -0.146 0.000 0.219 3422 A C 1.965 179.608 177.584 0.100 0.000 1.176 3422 A CA 2.017 54.138 52.037 0.140 0.000 0.631 3422 A CB -0.605 18.515 19.000 0.200 0.000 0.814 3422 A HN 0.360 nan 8.150 nan 0.000 0.446 3423 D N -0.542 119.843 120.400 -0.026 0.000 2.117 3423 D HA -0.067 4.486 4.640 -0.146 0.000 0.198 3423 D C 1.977 178.124 176.300 -0.256 0.000 0.982 3423 D CA 1.308 55.296 54.000 -0.020 0.000 0.828 3423 D CB -0.267 40.636 40.800 0.171 0.000 0.967 3423 D HN 0.228 nan 8.370 nan 0.000 0.464 3424 V N 0.411 120.018 119.914 -0.512 0.000 2.591 3424 V HA -0.121 3.912 4.120 -0.146 0.000 0.249 3424 V C 2.257 178.084 176.094 -0.444 0.000 1.053 3424 V CA 1.129 63.043 62.300 -0.643 0.000 1.068 3424 V CB -0.253 31.085 31.823 -0.809 0.000 0.689 3424 V HN 0.198 nan 8.190 nan 0.000 0.462 3425 M N -1.779 117.551 119.600 -0.450 0.000 2.357 3425 M HA 0.111 4.503 4.480 -0.146 0.000 0.266 3425 M C 1.694 177.492 176.300 -0.837 0.000 1.095 3425 M CA 1.897 56.779 55.300 -0.698 0.000 1.156 3425 M CB 0.051 32.097 32.600 -0.922 0.000 1.365 3425 M HN 0.360 nan 8.290 nan 0.000 0.447 3426 F N -1.871 118.025 119.950 -0.091 0.000 2.531 3426 F HA 0.357 4.795 4.527 -0.148 0.000 0.273 3426 F C 2.343 178.103 175.800 -0.067 0.000 0.960 3426 F CA 0.212 58.181 58.000 -0.051 0.000 1.207 3426 F CB -1.221 37.790 39.000 0.018 0.000 1.012 3426 F HN 0.012 nan 8.300 nan 0.000 0.738 3427 G N 0.961 109.852 108.800 0.150 0.000 2.511 3427 G HA2 -0.200 3.672 3.960 -0.146 0.000 0.216 3427 G HA3 -0.200 3.672 3.960 -0.146 0.000 0.216 3427 G C 1.693 176.607 174.900 0.023 0.000 1.218 3427 G CA 1.737 46.878 45.100 0.068 0.000 0.788 3427 G HN 0.167 nan 8.290 nan 0.000 0.560 3428 V N 2.118 122.045 119.914 0.021 0.000 2.295 3428 V HA -0.099 3.934 4.120 -0.146 0.000 0.246 3428 V C 0.384 176.474 176.094 -0.006 0.000 1.049 3428 V CA 2.245 64.569 62.300 0.039 0.000 1.024 3428 V CB -1.112 30.747 31.823 0.060 0.000 0.648 3428 V HN 0.287 nan 8.190 nan 0.000 0.447 3429 P HA -0.105 nan 4.420 nan 0.000 0.215 3429 P C 2.035 179.292 177.300 -0.072 0.000 1.157 3429 P CA 1.816 64.869 63.100 -0.077 0.000 0.868 3429 P CB -0.083 31.537 31.700 -0.134 0.000 0.788 3430 S N -0.794 114.862 115.700 -0.074 0.000 2.356 3430 S HA -0.115 4.268 4.470 -0.146 0.000 0.223 3430 S C 2.014 176.515 174.600 -0.165 0.000 1.032 3430 S CA 1.238 59.364 58.200 -0.124 0.000 1.005 3430 S CB -1.251 61.875 63.200 -0.124 0.000 0.867 3430 S HN -0.046 nan 8.310 nan 0.000 0.449 3431 V N 1.878 121.721 119.914 -0.119 0.000 2.427 3431 V HA -0.100 3.932 4.120 -0.146 0.000 0.248 3431 V C 2.010 178.077 176.094 -0.046 0.000 1.051 3431 V CA 1.293 63.524 62.300 -0.114 0.000 1.048 3431 V CB -0.554 31.254 31.823 -0.025 0.000 0.666 3431 V HN 0.451 nan 8.190 nan 0.000 0.456 3432 I N -0.716 119.848 120.570 -0.009 0.000 2.286 3432 I HA -0.201 3.882 4.170 -0.146 0.000 0.248 3432 I C 2.346 178.472 176.117 0.016 0.000 1.115 3432 I CA 1.098 62.414 61.300 0.026 0.000 1.392 3432 I CB -0.248 37.769 38.000 0.028 0.000 1.065 3432 I HN 0.158 nan 8.210 nan 0.000 0.418 3433 V N 0.926 120.820 119.914 -0.033 0.000 2.270 3433 V HA -0.284 3.748 4.120 -0.146 0.000 0.245 3433 V C 2.730 178.816 176.094 -0.012 0.000 1.043 3433 V CA 2.004 64.291 62.300 -0.022 0.000 1.014 3433 V CB -0.884 30.898 31.823 -0.068 0.000 0.645 3433 V HN 0.485 nan 8.190 nan 0.000 0.447 3434 A N -0.082 122.642 122.820 -0.160 0.000 1.892 3434 A HA -0.304 3.929 4.320 -0.146 0.000 0.218 3434 A C 2.325 179.927 177.584 0.031 0.000 1.188 3434 A CA 2.309 54.205 52.037 -0.236 0.000 0.631 3434 A CB -0.594 18.006 19.000 -0.665 0.000 0.822 3434 A HN 0.538 nan 8.150 nan 0.000 0.447 3435 R N -0.693 119.876 120.500 0.114 0.000 2.081 3435 R HA -0.154 4.099 4.340 -0.146 0.000 0.235 3435 R C 2.026 178.450 176.300 0.207 0.000 1.131 3435 R CA 1.771 58.029 56.100 0.263 0.000 0.960 3435 R CB -0.453 29.979 30.300 0.219 0.000 0.856 3435 R HN 0.638 nan 8.270 nan 0.000 0.436 3436 N N -0.514 118.295 118.700 0.181 0.000 2.188 3436 N HA -0.160 4.493 4.740 -0.146 0.000 0.184 3436 N C 1.611 177.298 175.510 0.296 0.000 1.018 3436 N CA 1.170 54.344 53.050 0.208 0.000 0.858 3436 N CB -0.215 38.390 38.487 0.196 0.000 0.989 3436 N HN 0.273 nan 8.380 nan 0.000 0.426 3437 H N 0.950 120.168 119.070 0.247 0.000 2.293 3437 H HA 0.007 4.476 4.556 -0.145 0.000 0.300 3437 H C 2.240 177.707 175.328 0.231 0.000 1.082 3437 H CA 1.769 58.020 56.048 0.338 0.000 1.308 3437 H CB 0.061 30.021 29.762 0.330 0.000 1.375 3437 H HN 0.037 nan 8.280 nan 0.000 0.495 3438 R N 0.374 121.044 120.500 0.284 0.000 2.103 3438 R HA -0.164 4.088 4.340 -0.146 0.000 0.234 3438 R C 1.365 177.720 176.300 0.093 0.000 1.132 3438 R CA 2.234 58.447 56.100 0.189 0.000 0.925 3438 R CB -0.461 30.000 30.300 0.268 0.000 0.842 3438 R HN 0.388 nan 8.270 nan 0.000 0.430 3439 D N 0.125 120.587 120.400 0.104 0.000 2.354 3439 D HA -0.121 4.431 4.640 -0.146 0.000 0.216 3439 D C 1.335 177.640 176.300 0.008 0.000 0.970 3439 D CA 1.217 55.250 54.000 0.055 0.000 0.905 3439 D CB -0.064 40.777 40.800 0.069 0.000 0.903 3439 D HN 0.460 nan 8.370 nan 0.000 0.508 3440 A N -0.582 122.229 122.820 -0.014 0.000 2.208 3440 A HA 0.396 4.629 4.320 -0.146 0.000 0.209 3440 A C 1.877 179.371 177.584 -0.151 0.000 1.161 3440 A CA 1.142 53.104 52.037 -0.125 0.000 0.782 3440 A CB 0.033 18.893 19.000 -0.232 0.000 0.816 3440 A HN 0.257 nan 8.150 nan 0.000 0.477 3441 G N -2.500 106.244 108.800 -0.092 0.000 2.179 3441 G HA2 0.159 4.032 3.960 -0.146 0.000 0.220 3441 G HA3 0.159 4.032 3.960 -0.146 0.000 0.220 3441 G C 0.322 175.179 174.900 -0.071 0.000 0.990 3441 G CA 0.152 45.208 45.100 -0.074 0.000 0.646 3441 G HN 1.519 nan 8.290 nan 0.000 0.517 3442 A N 0.413 123.162 122.820 -0.117 0.000 2.303 3442 A HA 0.831 5.064 4.320 -0.146 0.000 0.317 3442 A C -2.286 175.352 177.584 0.091 0.000 1.149 3442 A CA -1.477 50.524 52.037 -0.059 0.000 0.822 3442 A CB 0.815 19.684 19.000 -0.218 0.000 1.131 3442 A HN 0.075 nan 8.150 nan 0.000 0.493 3443 P HA 0.206 nan 4.420 nan 0.000 0.263 3443 P C -0.508 176.928 177.300 0.227 0.000 1.195 3443 P CA 0.750 63.925 63.100 0.125 0.000 0.762 3443 P CB 0.622 32.428 31.700 0.178 0.000 0.799 3444 T N 3.081 117.647 114.554 0.019 0.000 2.900 3444 T HA 0.596 4.858 4.350 -0.146 0.000 0.295 3444 T C -1.072 173.478 174.700 -0.250 0.000 1.044 3444 T CA -0.305 61.835 62.100 0.065 0.000 0.995 3444 T CB 0.922 69.902 68.868 0.188 0.000 1.072 3444 T HN 0.125 nan 8.240 nan 0.000 0.473 3445 Y N 0.698 120.959 120.300 -0.064 0.000 2.504 3445 Y HA 0.672 5.134 4.550 -0.146 0.000 0.344 3445 Y C -0.177 175.693 175.900 -0.049 0.000 1.023 3445 Y CA -1.104 56.941 58.100 -0.093 0.000 1.020 3445 Y CB 2.085 40.229 38.460 -0.527 0.000 1.282 3445 Y HN 0.362 nan 8.280 nan 0.000 0.454 3446 M N 3.161 123.017 119.600 0.426 0.000 2.619 3446 M HA 0.556 4.948 4.480 -0.146 0.000 0.297 3446 M C -1.587 175.054 176.300 0.568 0.000 1.229 3446 M CA -0.999 54.456 55.300 0.257 0.000 0.860 3446 M CB 3.219 35.792 32.600 -0.044 0.000 1.741 3446 M HN 0.779 nan 8.290 nan 0.000 0.462 3447 Y N -1.288 119.159 120.300 0.246 0.000 2.638 3447 Y HA 0.724 5.186 4.550 -0.147 0.000 0.335 3447 Y C -1.639 174.350 175.900 0.148 0.000 1.155 3447 Y CA -0.994 57.209 58.100 0.171 0.000 1.046 3447 Y CB 1.580 40.090 38.460 0.084 0.000 1.303 3447 Y HN 0.711 nan 8.280 nan 0.000 0.460 3448 E N 2.588 123.030 120.200 0.403 0.000 2.316 3448 E HA 0.305 4.567 4.350 -0.146 0.000 0.254 3448 E C -2.214 174.630 176.600 0.406 0.000 0.902 3448 E CA -0.748 55.822 56.400 0.283 0.000 0.801 3448 E CB 1.135 30.945 29.700 0.183 0.000 1.270 3448 E HN 0.629 nan 8.360 nan 0.000 0.414 3449 F N 3.732 123.892 119.950 0.351 0.000 2.438 3449 F HA 0.220 4.661 4.527 -0.144 0.000 0.356 3449 F C -0.174 175.740 175.800 0.190 0.000 1.099 3449 F CA 0.178 58.336 58.000 0.263 0.000 1.185 3449 F CB 1.001 40.173 39.000 0.287 0.000 1.115 3449 F HN 0.480 nan 8.300 nan 0.000 0.526 3450 Q N 7.249 126.835 119.800 -0.356 0.000 3.021 3450 Q HA 0.245 4.498 4.340 -0.146 0.000 0.234 3450 Q C -2.318 173.524 176.000 -0.263 0.000 0.930 3450 Q CA -0.563 55.137 55.803 -0.171 0.000 0.714 3450 Q CB 0.908 29.623 28.738 -0.038 0.000 1.325 3450 Q HN 0.806 nan 8.270 nan 0.000 0.473 3451 Y N 0.838 120.885 120.300 -0.421 0.000 2.592 3451 Y HA 0.416 4.878 4.550 -0.146 0.000 0.334 3451 Y C -1.907 173.997 175.900 0.008 0.000 1.136 3451 Y CA -0.900 57.039 58.100 -0.268 0.000 1.042 3451 Y CB 1.629 39.814 38.460 -0.457 0.000 1.325 3451 Y HN 0.500 nan 8.280 nan 0.000 0.457 3452 R N 6.441 126.563 120.500 -0.629 0.000 2.272 3452 R HA 0.462 4.715 4.340 -0.146 0.000 0.323 3452 R C -2.768 173.253 176.300 -0.464 0.000 1.002 3452 R CA -2.055 53.821 56.100 -0.372 0.000 0.900 3452 R CB 0.831 30.933 30.300 -0.331 0.000 1.151 3452 R HN 0.415 nan 8.270 nan 0.000 0.507 3453 P HA -0.037 nan 4.420 nan 0.000 0.268 3453 P C 0.226 177.308 177.300 -0.364 0.000 1.205 3453 P CA 0.116 63.149 63.100 -0.110 0.000 0.771 3453 P CB 1.468 33.117 31.700 -0.084 0.000 0.858 3454 S N 1.542 116.910 115.700 -0.553 0.000 2.481 3454 S HA -0.083 4.300 4.470 -0.146 0.000 0.231 3454 S C 1.300 175.527 174.600 -0.622 0.000 0.996 3454 S CA 0.422 58.261 58.200 -0.603 0.000 0.942 3454 S CB -1.117 61.680 63.200 -0.670 0.000 0.768 3454 S HN 0.383 nan 8.310 nan 0.000 0.520 3455 F N 2.658 122.395 119.950 -0.354 0.000 2.816 3455 F HA 0.304 4.745 4.527 -0.144 0.000 0.302 3455 F C 1.338 176.908 175.800 -0.383 0.000 1.178 3455 F CA -0.384 57.387 58.000 -0.381 0.000 1.421 3455 F CB -0.604 38.081 39.000 -0.525 0.000 1.114 3455 F HN 0.030 nan 8.300 nan 0.000 0.573 3456 S N 0.079 115.624 115.700 -0.259 0.000 2.569 3456 S HA 0.013 4.396 4.470 -0.146 0.000 0.274 3456 S C 0.583 175.121 174.600 -0.102 0.000 1.353 3456 S CA -0.570 57.535 58.200 -0.157 0.000 1.023 3456 S CB 0.751 63.837 63.200 -0.191 0.000 0.876 3456 S HN 0.300 nan 8.310 nan 0.000 0.540 3457 S N 0.400 116.057 115.700 -0.072 0.000 2.572 3457 S HA 0.022 4.405 4.470 -0.146 0.000 0.279 3457 S C 0.869 175.346 174.600 -0.205 0.000 1.341 3457 S CA -0.543 57.614 58.200 -0.072 0.000 1.043 3457 S CB 0.221 63.449 63.200 0.046 0.000 0.887 3457 S HN 0.638 nan 8.310 nan 0.000 0.516 3458 D N 3.362 123.687 120.400 -0.126 0.000 2.264 3458 D HA -0.078 4.474 4.640 -0.146 0.000 0.208 3458 D C 1.515 177.703 176.300 -0.187 0.000 0.966 3458 D CA 1.294 55.210 54.000 -0.140 0.000 0.864 3458 D CB 0.013 40.768 40.800 -0.075 0.000 0.933 3458 D HN 0.647 nan 8.370 nan 0.000 0.499 3459 M N 0.304 119.790 119.600 -0.190 0.000 2.558 3459 M HA -0.023 4.370 4.480 -0.146 0.000 0.255 3459 M C 1.019 177.002 176.300 -0.528 0.000 1.113 3459 M CA 0.345 55.545 55.300 -0.167 0.000 1.097 3459 M CB 0.190 32.860 32.600 0.117 0.000 1.426 3459 M HN -0.247 nan 8.290 nan 0.000 0.488 3460 K N 3.402 123.169 120.400 -1.056 0.000 2.312 3460 K HA 0.195 4.428 4.320 -0.146 0.000 0.287 3460 K C -2.283 173.887 176.600 -0.716 0.000 1.062 3460 K CA -1.665 53.660 56.287 -1.603 0.000 0.934 3460 K CB 0.660 32.227 32.500 -1.554 0.000 1.027 3460 K HN -0.098 nan 8.250 nan 0.000 0.478 3461 P HA -0.065 nan 4.420 nan 0.000 0.264 3461 P C -0.510 176.666 177.300 -0.208 0.000 1.183 3461 P CA 0.268 63.225 63.100 -0.239 0.000 0.763 3461 P CB 0.581 32.215 31.700 -0.110 0.000 0.807 3462 K N 1.029 121.332 120.400 -0.162 0.000 2.442 3462 K HA -0.067 4.166 4.320 -0.146 0.000 0.198 3462 K C 1.562 178.097 176.600 -0.109 0.000 1.044 3462 K CA 1.606 57.806 56.287 -0.145 0.000 0.948 3462 K CB -0.441 31.983 32.500 -0.127 0.000 0.762 3462 K HN 0.618 nan 8.250 nan 0.000 0.472 3463 T N -1.917 112.591 114.554 -0.076 0.000 3.113 3463 T HA 0.063 4.325 4.350 -0.146 0.000 0.256 3463 T C 0.781 175.467 174.700 -0.023 0.000 1.131 3463 T CA -0.213 61.862 62.100 -0.042 0.000 1.074 3463 T CB -0.070 68.790 68.868 -0.014 0.000 0.944 3463 T HN -0.212 nan 8.240 nan 0.000 0.516 3464 V N 2.657 122.553 119.914 -0.029 0.000 2.470 3464 V HA 0.388 4.421 4.120 -0.146 0.000 0.276 3464 V C 0.024 176.120 176.094 0.003 0.000 1.040 3464 V CA -0.475 61.836 62.300 0.019 0.000 1.008 3464 V CB 0.219 32.071 31.823 0.048 0.000 0.990 3464 V HN 0.451 nan 8.190 nan 0.000 0.477 3465 I N 3.759 124.347 120.570 0.031 0.000 2.447 3465 I HA 0.626 4.709 4.170 -0.146 0.000 0.287 3465 I C 0.767 176.939 176.117 0.092 0.000 1.023 3465 I CA -0.522 60.788 61.300 0.017 0.000 1.083 3465 I CB 1.788 39.773 38.000 -0.026 0.000 1.245 3465 I HN 0.798 nan 8.210 nan 0.000 0.434 3466 G N 3.565 112.463 108.800 0.163 0.000 2.291 3466 G HA2 -0.216 3.656 3.960 -0.146 0.000 0.271 3466 G HA3 -0.216 3.656 3.960 -0.146 0.000 0.271 3466 G C -0.409 174.642 174.900 0.252 0.000 1.099 3466 G CA -0.244 45.022 45.100 0.277 0.000 0.919 3466 G HN 0.709 nan 8.290 nan 0.000 0.496 3467 D N -0.779 119.773 120.400 0.253 0.000 2.358 3467 D HA 0.397 4.949 4.640 -0.146 0.000 0.244 3467 D C 0.923 177.382 176.300 0.266 0.000 1.163 3467 D CA -0.434 53.721 54.000 0.259 0.000 0.945 3467 D CB 0.397 41.380 40.800 0.305 0.000 1.152 3467 D HN 0.409 nan 8.370 nan 0.000 0.451 3468 H N 0.259 119.415 119.070 0.143 0.000 3.125 3468 H HA 0.256 4.724 4.556 -0.147 0.000 0.310 3468 H C 1.395 176.868 175.328 0.242 0.000 0.980 3468 H CA 1.925 58.031 56.048 0.096 0.000 1.422 3468 H CB 0.095 29.884 29.762 0.045 0.000 1.432 3468 H HN 0.593 nan 8.280 nan 0.000 0.577 3469 G N 4.116 112.785 108.800 -0.217 0.000 2.217 3469 G HA2 -0.343 3.530 3.960 -0.146 0.000 0.246 3469 G HA3 -0.343 3.530 3.960 -0.146 0.000 0.246 3469 G C 1.227 176.097 174.900 -0.050 0.000 0.990 3469 G CA 0.450 45.379 45.100 -0.286 0.000 0.627 3469 G HN 0.654 nan 8.290 nan 0.000 0.522 3470 D N 1.125 121.626 120.400 0.169 0.000 2.182 3470 D HA -0.065 4.487 4.640 -0.146 0.000 0.201 3470 D C 2.439 178.766 176.300 0.046 0.000 0.986 3470 D CA 1.455 55.656 54.000 0.335 0.000 0.847 3470 D CB -0.074 40.991 40.800 0.441 0.000 0.942 3470 D HN 0.745 nan 8.370 nan 0.000 0.467 3471 E N 1.058 120.955 120.200 -0.504 0.000 2.347 3471 E HA -0.119 4.144 4.350 -0.146 0.000 0.196 3471 E C 2.160 178.441 176.600 -0.531 0.000 1.008 3471 E CA 0.187 55.947 56.400 -1.067 0.000 0.852 3471 E CB -0.667 28.391 29.700 -1.070 0.000 0.783 3471 E HN 0.324 nan 8.360 nan 0.000 0.505 3472 L N -0.208 120.793 121.223 -0.370 0.000 2.187 3472 L HA -0.113 4.140 4.340 -0.146 0.000 0.213 3472 L C 2.249 178.906 176.870 -0.355 0.000 1.100 3472 L CA 1.223 55.842 54.840 -0.367 0.000 0.765 3472 L CB -0.545 41.208 42.059 -0.509 0.000 0.904 3472 L HN 0.005 nan 8.230 nan 0.000 0.437 3473 F N -1.047 118.845 119.950 -0.097 0.000 2.407 3473 F HA -0.104 4.336 4.527 -0.145 0.000 0.299 3473 F C 2.516 178.281 175.800 -0.057 0.000 1.097 3473 F CA 0.868 58.846 58.000 -0.037 0.000 1.422 3473 F CB -0.326 38.758 39.000 0.139 0.000 1.067 3473 F HN -0.042 nan 8.300 nan 0.000 0.539 3474 S N -0.501 115.204 115.700 0.007 0.000 2.404 3474 S HA -0.044 4.339 4.470 -0.146 0.000 0.223 3474 S C 2.225 176.661 174.600 -0.274 0.000 1.040 3474 S CA 0.598 58.751 58.200 -0.079 0.000 0.957 3474 S CB -0.302 62.848 63.200 -0.083 0.000 0.826 3474 S HN 0.099 nan 8.310 nan 0.000 0.491 3475 V N 0.843 120.464 119.914 -0.488 0.000 2.343 3475 V HA -0.079 3.953 4.120 -0.146 0.000 0.247 3475 V C 1.285 176.990 176.094 -0.648 0.000 1.051 3475 V CA 1.602 63.453 62.300 -0.747 0.000 1.036 3475 V CB -0.632 30.640 31.823 -0.920 0.000 0.654 3475 V HN 0.471 nan 8.190 nan 0.000 0.451 3476 F N 0.328 120.085 119.950 -0.321 0.000 2.645 3476 F HA 0.455 4.898 4.527 -0.140 0.000 0.300 3476 F C 1.654 177.347 175.800 -0.178 0.000 1.115 3476 F CA 0.452 58.289 58.000 -0.271 0.000 1.355 3476 F CB -0.111 38.677 39.000 -0.353 0.000 1.026 3476 F HN 0.249 nan 8.300 nan 0.000 0.536 3477 G N 0.923 109.722 108.800 -0.002 0.000 2.341 3477 G HA2 -0.345 3.528 3.960 -0.146 0.000 0.292 3477 G HA3 -0.345 3.528 3.960 -0.146 0.000 0.292 3477 G C 1.301 176.267 174.900 0.109 0.000 1.021 3477 G CA 0.353 45.533 45.100 0.133 0.000 0.905 3477 G HN 0.577 nan 8.290 nan 0.000 0.508 3478 A N 0.249 123.049 122.820 -0.033 0.000 1.948 3478 A HA 0.039 4.272 4.320 -0.146 0.000 0.220 3478 A C 0.694 178.081 177.584 -0.328 0.000 1.177 3478 A CA 2.248 54.120 52.037 -0.276 0.000 0.636 3478 A CB -0.918 17.811 19.000 -0.450 0.000 0.815 3478 A HN 0.486 nan 8.150 nan 0.000 0.449 3479 P HA -0.143 nan 4.420 nan 0.000 0.218 3479 P C 0.561 177.612 177.300 -0.416 0.000 1.146 3479 P CA 1.073 64.083 63.100 -0.150 0.000 0.813 3479 P CB -0.155 31.312 31.700 -0.389 0.000 0.778 3480 F N -2.829 117.142 119.950 0.034 0.000 2.695 3480 F HA 0.225 4.664 4.527 -0.147 0.000 0.303 3480 F C 1.748 177.581 175.800 0.055 0.000 1.091 3480 F CA 0.317 58.359 58.000 0.071 0.000 1.300 3480 F CB -0.172 38.885 39.000 0.095 0.000 1.071 3480 F HN -0.178 nan 8.300 nan 0.000 0.578 3481 L N -1.495 119.789 121.223 0.100 0.000 2.730 3481 L HA 0.234 4.486 4.340 -0.146 0.000 0.236 3481 L C 0.755 177.629 176.870 0.007 0.000 1.061 3481 L CA 0.222 55.094 54.840 0.053 0.000 0.898 3481 L CB 0.275 42.337 42.059 0.005 0.000 1.270 3481 L HN -0.194 nan 8.230 nan 0.000 0.500 3482 K N 0.316 120.685 120.400 -0.052 0.000 2.210 3482 K HA 0.443 4.675 4.320 -0.146 0.000 0.236 3482 K C -0.580 176.108 176.600 0.146 0.000 1.016 3482 K CA -0.600 55.690 56.287 0.006 0.000 0.913 3482 K CB 1.551 33.954 32.500 -0.162 0.000 1.141 3482 K HN -0.100 nan 8.250 nan 0.000 0.462 3483 E N -1.056 119.262 120.200 0.198 0.000 2.239 3483 E HA 0.324 4.586 4.350 -0.146 0.000 0.261 3483 E C 0.205 176.895 176.600 0.150 0.000 1.016 3483 E CA -0.119 56.371 56.400 0.149 0.000 0.882 3483 E CB 1.348 31.099 29.700 0.084 0.000 1.190 3483 E HN 0.756 nan 8.360 nan 0.000 0.415 3484 G N 0.169 108.995 108.800 0.044 0.000 2.162 3484 G HA2 -0.304 3.568 3.960 -0.146 0.000 0.260 3484 G HA3 -0.304 3.568 3.960 -0.146 0.000 0.260 3484 G C 0.222 175.049 174.900 -0.120 0.000 0.976 3484 G CA 0.143 45.216 45.100 -0.044 0.000 0.655 3484 G HN 0.671 nan 8.290 nan 0.000 0.533 3485 A N 0.402 123.182 122.820 -0.067 0.000 2.450 3485 A HA 0.705 4.937 4.320 -0.146 0.000 0.255 3485 A C 1.039 178.569 177.584 -0.090 0.000 1.096 3485 A CA 0.910 52.876 52.037 -0.118 0.000 0.778 3485 A CB 0.355 19.359 19.000 0.006 0.000 1.031 3485 A HN 1.941 nan 8.150 nan 0.000 0.494 3486 S N 1.762 117.408 115.700 -0.089 0.000 2.624 3486 S HA 0.195 4.577 4.470 -0.146 0.000 0.263 3486 S C 0.687 175.264 174.600 -0.038 0.000 1.287 3486 S CA 0.015 58.183 58.200 -0.053 0.000 0.990 3486 S CB 0.592 63.767 63.200 -0.041 0.000 0.950 3486 S HN 0.705 nan 8.310 nan 0.000 0.561 3487 E N 0.319 120.506 120.200 -0.023 0.000 2.160 3487 E HA -0.200 4.062 4.350 -0.146 0.000 0.195 3487 E C 1.884 178.477 176.600 -0.013 0.000 0.991 3487 E CA 1.207 57.599 56.400 -0.013 0.000 0.810 3487 E CB -0.106 29.594 29.700 -0.000 0.000 0.742 3487 E HN 0.850 nan 8.360 nan 0.000 0.466 3488 E N 1.115 121.312 120.200 -0.006 0.000 2.072 3488 E HA -0.242 4.021 4.350 -0.146 0.000 0.191 3488 E C 2.006 178.581 176.600 -0.040 0.000 0.985 3488 E CA 0.989 57.386 56.400 -0.005 0.000 0.801 3488 E CB 0.101 29.823 29.700 0.038 0.000 0.750 3488 E HN 0.221 nan 8.360 nan 0.000 0.452 3489 E N 0.242 120.439 120.200 -0.004 0.000 2.072 3489 E HA -0.155 4.107 4.350 -0.146 0.000 0.191 3489 E C 2.195 178.758 176.600 -0.062 0.000 0.985 3489 E CA 0.955 57.345 56.400 -0.017 0.000 0.801 3489 E CB -0.040 29.697 29.700 0.061 0.000 0.750 3489 E HN 0.311 nan 8.360 nan 0.000 0.452 3490 I N 0.559 121.078 120.570 -0.085 0.000 2.361 3490 I HA -0.265 3.818 4.170 -0.146 0.000 0.251 3490 I C 2.765 178.891 176.117 0.015 0.000 1.133 3490 I CA 0.906 62.118 61.300 -0.146 0.000 1.413 3490 I CB -0.220 37.679 38.000 -0.168 0.000 1.073 3490 I HN 0.096 nan 8.210 nan 0.000 0.424 3491 R N 0.685 121.183 120.500 -0.003 0.000 2.066 3491 R HA -0.180 4.072 4.340 -0.146 0.000 0.232 3491 R C 2.360 178.640 176.300 -0.032 0.000 1.131 3491 R CA 1.343 57.446 56.100 0.005 0.000 0.955 3491 R CB -0.229 30.061 30.300 -0.017 0.000 0.851 3491 R HN 0.209 nan 8.270 nan 0.000 0.432 3492 L N 0.520 121.683 121.223 -0.099 0.000 2.046 3492 L HA -0.143 4.110 4.340 -0.146 0.000 0.208 3492 L C 2.274 179.103 176.870 -0.068 0.000 1.077 3492 L CA 2.074 56.828 54.840 -0.143 0.000 0.747 3492 L CB -0.828 41.018 42.059 -0.354 0.000 0.896 3492 L HN 0.101 nan 8.230 nan 0.000 0.432 3493 S N -0.678 115.008 115.700 -0.023 0.000 2.351 3493 S HA -0.244 4.139 4.470 -0.146 0.000 0.220 3493 S C 2.078 176.683 174.600 0.008 0.000 1.035 3493 S CA 1.710 59.922 58.200 0.019 0.000 1.031 3493 S CB -0.237 63.033 63.200 0.117 0.000 0.928 3493 S HN 0.545 nan 8.310 nan 0.000 0.433 3494 K N 0.477 120.924 120.400 0.079 0.000 2.044 3494 K HA -0.176 4.056 4.320 -0.146 0.000 0.210 3494 K C 2.350 178.910 176.600 -0.067 0.000 1.049 3494 K CA 1.860 58.151 56.287 0.005 0.000 0.927 3494 K CB -0.362 32.182 32.500 0.075 0.000 0.713 3494 K HN 0.499 nan 8.250 nan 0.000 0.443 3495 M N 0.907 120.454 119.600 -0.087 0.000 2.108 3495 M HA -0.179 4.213 4.480 -0.146 0.000 0.261 3495 M C 1.974 178.165 176.300 -0.182 0.000 1.066 3495 M CA 1.577 56.755 55.300 -0.203 0.000 1.107 3495 M CB 0.020 32.522 32.600 -0.163 0.000 1.356 3495 M HN -0.050 nan 8.290 nan 0.000 0.406 3496 V N 0.880 120.761 119.914 -0.054 0.000 2.427 3496 V HA -0.295 3.738 4.120 -0.146 0.000 0.248 3496 V C 2.395 178.451 176.094 -0.064 0.000 1.051 3496 V CA 1.907 64.186 62.300 -0.034 0.000 1.048 3496 V CB -0.582 31.067 31.823 -0.290 0.000 0.666 3496 V HN 0.569 nan 8.190 nan 0.000 0.456 3497 M N -0.913 118.612 119.600 -0.125 0.000 2.175 3497 M HA -0.163 4.230 4.480 -0.146 0.000 0.264 3497 M C 2.265 178.597 176.300 0.053 0.000 1.063 3497 M CA 1.688 56.936 55.300 -0.088 0.000 1.119 3497 M CB -0.464 32.055 32.600 -0.136 0.000 1.377 3497 M HN 0.213 nan 8.290 nan 0.000 0.415 3498 K N -0.075 120.332 120.400 0.012 0.000 2.097 3498 K HA -0.079 4.153 4.320 -0.146 0.000 0.205 3498 K C 1.815 178.511 176.600 0.160 0.000 1.050 3498 K CA 1.306 57.605 56.287 0.020 0.000 0.938 3498 K CB -0.170 32.269 32.500 -0.103 0.000 0.718 3498 K HN 0.289 nan 8.250 nan 0.000 0.442 3499 F N -0.105 119.983 119.950 0.231 0.000 2.075 3499 F HA -0.235 4.205 4.527 -0.146 0.000 0.297 3499 F C 2.439 178.426 175.800 0.312 0.000 1.113 3499 F CA 0.671 58.870 58.000 0.332 0.000 1.218 3499 F CB -0.167 39.185 39.000 0.586 0.000 0.984 3499 F HN 0.211 nan 8.300 nan 0.000 0.472 3500 W N 0.138 121.533 121.300 0.159 0.000 2.335 3500 W HA -0.248 4.324 4.660 -0.147 0.000 0.311 3500 W C 2.611 179.132 176.519 0.004 0.000 1.213 3500 W CA 0.997 58.345 57.345 0.006 0.000 1.274 3500 W CB -0.598 28.790 29.460 -0.119 0.000 1.148 3500 W HN 0.005 nan 8.180 nan 0.000 0.498 3501 A N 0.435 123.385 122.820 0.217 0.000 1.930 3501 A HA -0.208 4.025 4.320 -0.146 0.000 0.217 3501 A C 1.696 179.329 177.584 0.080 0.000 1.175 3501 A CA 1.757 53.850 52.037 0.094 0.000 0.627 3501 A CB -0.948 18.091 19.000 0.065 0.000 0.815 3501 A HN 0.232 nan 8.150 nan 0.000 0.443 3502 N N -0.937 117.836 118.700 0.122 0.000 2.166 3502 N HA -0.124 4.528 4.740 -0.146 0.000 0.186 3502 N C 1.345 176.884 175.510 0.048 0.000 1.019 3502 N CA 1.328 54.431 53.050 0.088 0.000 0.856 3502 N CB -0.571 37.998 38.487 0.137 0.000 0.993 3502 N HN 0.515 nan 8.380 nan 0.000 0.426 3503 F N 1.641 121.515 119.950 -0.127 0.000 2.134 3503 F HA -0.043 4.396 4.527 -0.146 0.000 0.299 3503 F C 2.127 177.837 175.800 -0.150 0.000 1.097 3503 F CA 1.071 58.928 58.000 -0.237 0.000 1.264 3503 F CB -0.504 38.254 39.000 -0.403 0.000 1.001 3503 F HN 0.028 nan 8.300 nan 0.000 0.479 3504 A N 1.622 124.403 122.820 -0.065 0.000 1.873 3504 A HA -0.253 3.980 4.320 -0.146 0.000 0.218 3504 A C 2.374 179.870 177.584 -0.147 0.000 1.193 3504 A CA 2.337 54.301 52.037 -0.121 0.000 0.629 3504 A CB -0.819 18.153 19.000 -0.048 0.000 0.826 3504 A HN 0.567 nan 8.150 nan 0.000 0.447 3505 R N -1.298 119.145 120.500 -0.095 0.000 2.075 3505 R HA 0.044 4.296 4.340 -0.146 0.000 0.226 3505 R C 0.744 176.977 176.300 -0.111 0.000 1.114 3505 R CA 1.388 57.438 56.100 -0.083 0.000 0.972 3505 R CB -0.408 29.869 30.300 -0.037 0.000 0.869 3505 R HN 0.461 nan 8.270 nan 0.000 0.437 3506 N N -0.063 118.561 118.700 -0.127 0.000 2.205 3506 N HA 0.093 4.746 4.740 -0.146 0.000 0.201 3506 N C 0.740 176.141 175.510 -0.182 0.000 1.128 3506 N CA 0.806 53.787 53.050 -0.115 0.000 0.867 3506 N CB 1.385 39.843 38.487 -0.050 0.000 0.996 3506 N HN 0.503 nan 8.380 nan 0.000 0.503 3507 G N 1.414 109.977 108.800 -0.396 0.000 2.153 3507 G HA2 -0.275 3.598 3.960 -0.146 0.000 0.252 3507 G HA3 -0.275 3.598 3.960 -0.146 0.000 0.252 3507 G C -0.117 174.644 174.900 -0.232 0.000 0.994 3507 G CA 0.265 45.009 45.100 -0.594 0.000 0.698 3507 G HN 0.467 nan 8.290 nan 0.000 0.521 3508 N N -0.393 118.222 118.700 -0.142 0.000 2.500 3508 N HA 0.389 5.042 4.740 -0.146 0.000 0.291 3508 N C -1.420 173.988 175.510 -0.171 0.000 1.092 3508 N CA -1.443 51.532 53.050 -0.125 0.000 0.890 3508 N CB 2.319 40.823 38.487 0.028 0.000 1.466 3508 N HN -0.048 nan 8.380 nan 0.000 0.507 3509 P HA -0.079 nan 4.420 nan 0.000 0.223 3509 P C -0.117 177.269 177.300 0.145 0.000 1.151 3509 P CA 0.565 63.528 63.100 -0.229 0.000 0.787 3509 P CB 0.311 31.495 31.700 -0.859 0.000 0.788 3510 N N 0.792 119.540 118.700 0.080 0.000 2.374 3510 N HA 0.246 4.898 4.740 -0.146 0.000 0.241 3510 N C 0.914 176.550 175.510 0.211 0.000 1.262 3510 N CA 1.238 54.438 53.050 0.251 0.000 0.880 3510 N CB 0.336 38.960 38.487 0.229 0.000 1.105 3510 N HN 0.160 nan 8.380 nan 0.000 0.438 3511 G N -0.312 108.619 108.800 0.219 0.000 2.519 3511 G HA2 0.086 3.958 3.960 -0.146 0.000 0.292 3511 G HA3 0.086 3.958 3.960 -0.146 0.000 0.292 3511 G C -1.266 173.701 174.900 0.111 0.000 1.507 3511 G CA -0.724 44.456 45.100 0.134 0.000 0.806 3511 G HN 0.527 nan 8.290 nan 0.000 0.523 3512 E N -0.200 120.046 120.200 0.077 0.000 2.529 3512 E HA 0.356 4.619 4.350 -0.146 0.000 0.259 3512 E C 1.341 177.965 176.600 0.040 0.000 0.966 3512 E CA 1.291 57.726 56.400 0.060 0.000 0.937 3512 E CB 0.173 29.899 29.700 0.043 0.000 0.923 3512 E HN 2.056 nan 8.360 nan 0.000 0.468 3513 G N 3.586 112.411 108.800 0.042 0.000 2.159 3513 G HA2 -0.251 3.621 3.960 -0.146 0.000 0.256 3513 G HA3 -0.251 3.621 3.960 -0.146 0.000 0.256 3513 G C -0.030 174.870 174.900 0.001 0.000 0.977 3513 G CA 0.402 45.513 45.100 0.019 0.000 0.652 3513 G HN 0.449 nan 8.290 nan 0.000 0.531 3514 L N 1.316 122.556 121.223 0.028 0.000 2.354 3514 L HA 0.566 4.818 4.340 -0.146 0.000 0.269 3514 L C -1.655 175.330 176.870 0.193 0.000 1.005 3514 L CA -2.446 52.396 54.840 0.005 0.000 0.819 3514 L CB 1.903 43.857 42.059 -0.174 0.000 1.311 3514 L HN -0.073 nan 8.230 nan 0.000 0.423 3515 P HA -0.042 nan 4.420 nan 0.000 0.266 3515 P C -0.792 176.741 177.300 0.389 0.000 1.195 3515 P CA -0.100 63.168 63.100 0.280 0.000 0.768 3515 P CB 0.395 32.229 31.700 0.224 0.000 0.838 3516 H N 2.763 121.965 119.070 0.220 0.000 3.034 3516 H HA 0.053 4.522 4.556 -0.145 0.000 0.324 3516 H C -0.918 174.571 175.328 0.268 0.000 1.015 3516 H CA 0.353 56.544 56.048 0.239 0.000 1.429 3516 H CB 0.103 29.964 29.762 0.165 0.000 1.429 3516 H HN 0.406 nan 8.280 nan 0.000 0.585 3517 W N 10.008 131.013 121.300 -0.492 0.000 2.299 3517 W HA 0.302 4.874 4.660 -0.147 0.000 0.319 3517 W C -2.719 173.496 176.519 -0.505 0.000 1.008 3517 W CA -3.203 53.900 57.345 -0.403 0.000 1.384 3517 W CB 0.679 29.924 29.460 -0.359 0.000 1.220 3517 W HN 0.591 nan 8.180 nan 0.000 0.402 3518 P HA -0.003 nan 4.420 nan 0.000 0.271 3518 P C -0.368 177.102 177.300 0.284 0.000 1.233 3518 P CA 0.276 63.437 63.100 0.102 0.000 0.789 3518 P CB 1.378 33.180 31.700 0.170 0.000 0.951 3519 E N 0.636 120.911 120.200 0.125 0.000 2.319 3519 E HA 0.064 4.326 4.350 -0.146 0.000 0.268 3519 E C -0.976 175.606 176.600 -0.029 0.000 1.050 3519 E CA -0.695 55.603 56.400 -0.171 0.000 0.878 3519 E CB 0.337 29.900 29.700 -0.227 0.000 1.066 3519 E HN 0.363 nan 8.360 nan 0.000 0.406 3520 Y N 5.315 125.496 120.300 -0.197 0.000 2.568 3520 Y HA 0.103 4.566 4.550 -0.145 0.000 0.338 3520 Y C -0.467 175.410 175.900 -0.039 0.000 1.245 3520 Y CA -0.376 57.703 58.100 -0.035 0.000 1.667 3520 Y CB -0.620 37.836 38.460 -0.007 0.000 1.568 3520 Y HN 0.497 nan 8.280 nan 0.000 0.471 3521 N N 0.282 118.871 118.700 -0.184 0.000 2.752 3521 N HA 0.101 4.754 4.740 -0.146 0.000 0.316 3521 N C 0.661 176.034 175.510 -0.229 0.000 1.343 3521 N CA -0.460 52.508 53.050 -0.137 0.000 0.875 3521 N CB 0.174 38.619 38.487 -0.070 0.000 1.120 3521 N HN 0.224 nan 8.380 nan 0.000 0.562 3522 Q N -0.325 119.400 119.800 -0.125 0.000 2.364 3522 Q HA -0.019 4.233 4.340 -0.146 0.000 0.209 3522 Q C 0.923 176.844 176.000 -0.133 0.000 0.977 3522 Q CA 1.159 56.894 55.803 -0.114 0.000 0.885 3522 Q CB -0.310 28.398 28.738 -0.051 0.000 0.941 3522 Q HN 0.613 nan 8.270 nan 0.000 0.464 3523 K N 0.551 120.872 120.400 -0.132 0.000 2.305 3523 K HA -0.025 4.208 4.320 -0.146 0.000 0.199 3523 K C -0.004 176.511 176.600 -0.142 0.000 1.047 3523 K CA 0.111 56.342 56.287 -0.093 0.000 0.976 3523 K CB 0.324 32.799 32.500 -0.043 0.000 0.765 3523 K HN 0.180 nan 8.250 nan 0.000 0.474 3524 E N -0.087 119.909 120.200 -0.341 0.000 2.340 3524 E HA -0.138 4.124 4.350 -0.146 0.000 0.240 3524 E C -0.062 176.517 176.600 -0.034 0.000 1.154 3524 E CA 0.082 56.140 56.400 -0.570 0.000 0.717 3524 E CB -1.835 27.624 29.700 -0.402 0.000 1.250 3524 E HN 0.495 nan 8.360 nan 0.000 0.386 3525 G N 0.683 109.505 108.800 0.036 0.000 2.503 3525 G HA2 0.437 4.310 3.960 -0.146 0.000 0.257 3525 G HA3 0.437 4.310 3.960 -0.146 0.000 0.257 3525 G C -0.320 174.811 174.900 0.385 0.000 1.214 3525 G CA 0.085 45.282 45.100 0.161 0.000 0.839 3525 G HN 0.320 nan 8.290 nan 0.000 0.559 3526 Y N -0.513 119.903 120.300 0.193 0.000 2.638 3526 Y HA 0.665 5.128 4.550 -0.146 0.000 0.335 3526 Y C -1.520 174.365 175.900 -0.026 0.000 1.155 3526 Y CA -1.813 56.415 58.100 0.213 0.000 1.046 3526 Y CB 1.419 40.014 38.460 0.226 0.000 1.303 3526 Y HN 0.559 nan 8.280 nan 0.000 0.460 3527 L N 2.790 123.869 121.223 -0.240 0.000 2.289 3527 L HA 0.478 4.731 4.340 -0.146 0.000 0.285 3527 L C -0.741 175.992 176.870 -0.228 0.000 1.049 3527 L CA -0.323 54.160 54.840 -0.594 0.000 0.804 3527 L CB 1.581 42.719 42.059 -1.535 0.000 1.195 3527 L HN 0.781 nan 8.230 nan 0.000 0.428 3528 Q N 5.743 125.420 119.800 -0.205 0.000 2.331 3528 Q HA 0.496 4.749 4.340 -0.146 0.000 0.257 3528 Q C -1.032 174.921 176.000 -0.079 0.000 0.957 3528 Q CA -0.168 55.621 55.803 -0.023 0.000 0.923 3528 Q CB 1.755 30.477 28.738 -0.027 0.000 1.212 3528 Q HN 0.578 nan 8.270 nan 0.000 0.443 3529 I N 1.662 122.211 120.570 -0.035 0.000 2.412 3529 I HA 0.747 4.829 4.170 -0.146 0.000 0.296 3529 I C 0.601 176.572 176.117 -0.242 0.000 0.987 3529 I CA -0.336 60.911 61.300 -0.087 0.000 1.180 3529 I CB 1.754 39.774 38.000 0.033 0.000 1.340 3529 I HN 0.792 nan 8.210 nan 0.000 0.455 3530 G N 2.901 111.559 108.800 -0.237 0.000 2.360 3530 G HA2 0.327 4.199 3.960 -0.146 0.000 0.276 3530 G HA3 0.327 4.199 3.960 -0.146 0.000 0.276 3530 G C 0.275 175.070 174.900 -0.176 0.000 1.256 3530 G CA -0.005 44.924 45.100 -0.284 0.000 0.890 3530 G HN 0.615 nan 8.290 nan 0.000 0.486 3531 A N -0.480 122.316 122.820 -0.040 0.000 1.903 3531 A HA 0.011 4.243 4.320 -0.146 0.000 0.219 3531 A C 1.028 178.593 177.584 -0.031 0.000 1.191 3531 A CA 1.874 53.907 52.037 -0.006 0.000 0.638 3531 A CB -0.511 18.541 19.000 0.087 0.000 0.823 3531 A HN 0.530 nan 8.150 nan 0.000 0.451 3532 N N 0.208 118.893 118.700 -0.026 0.000 2.417 3532 N HA 0.362 5.014 4.740 -0.146 0.000 0.274 3532 N C -1.405 174.084 175.510 -0.036 0.000 0.987 3532 N CA 0.055 53.091 53.050 -0.022 0.000 0.912 3532 N CB 1.575 40.055 38.487 -0.012 0.000 1.177 3532 N HN 0.132 nan 8.380 nan 0.000 0.490 3533 T N 2.963 117.501 114.554 -0.027 0.000 2.779 3533 T HA 0.453 4.715 4.350 -0.146 0.000 0.280 3533 T C -0.283 174.400 174.700 -0.028 0.000 0.987 3533 T CA -0.737 61.343 62.100 -0.033 0.000 0.966 3533 T CB 1.371 70.246 68.868 0.011 0.000 0.933 3533 T HN 0.465 nan 8.240 nan 0.000 0.442 3534 Q N 1.508 121.264 119.800 -0.074 0.000 2.594 3534 Q HA 0.615 4.867 4.340 -0.146 0.000 0.278 3534 Q C -1.301 174.608 176.000 -0.153 0.000 0.961 3534 Q CA -1.097 54.664 55.803 -0.069 0.000 0.844 3534 Q CB 1.333 30.048 28.738 -0.038 0.000 1.475 3534 Q HN 0.656 nan 8.270 nan 0.000 0.389 3535 A N 1.142 123.883 122.820 -0.131 0.000 2.409 3535 A HA 0.766 4.998 4.320 -0.146 0.000 0.246 3535 A C 0.009 177.428 177.584 -0.275 0.000 1.099 3535 A CA 0.744 52.658 52.037 -0.205 0.000 0.789 3535 A CB -0.035 18.930 19.000 -0.058 0.000 1.053 3535 A HN 1.499 nan 8.150 nan 0.000 0.503 3536 A N -0.456 122.100 122.820 -0.440 0.000 2.511 3536 A HA 0.666 4.898 4.320 -0.146 0.000 0.293 3536 A C -0.905 176.466 177.584 -0.357 0.000 1.098 3536 A CA -0.556 51.223 52.037 -0.430 0.000 0.643 3536 A CB 0.643 19.282 19.000 -0.601 0.000 1.302 3536 A HN 0.865 nan 8.150 nan 0.000 0.446 3537 Q N -0.189 119.580 119.800 -0.052 0.000 2.587 3537 Q HA 0.560 4.812 4.340 -0.146 0.000 0.293 3537 Q C -1.065 175.151 176.000 0.361 0.000 1.083 3537 Q CA -1.129 54.777 55.803 0.172 0.000 0.792 3537 Q CB 1.656 30.441 28.738 0.078 0.000 1.484 3537 Q HN 0.640 nan 8.270 nan 0.000 0.446 3538 K N 1.077 121.636 120.400 0.266 0.000 3.356 3538 K HA -0.222 4.010 4.320 -0.146 0.000 0.270 3538 K C -0.387 176.325 176.600 0.187 0.000 0.901 3538 K CA 0.044 56.448 56.287 0.195 0.000 0.688 3538 K CB -1.423 31.147 32.500 0.117 0.000 1.460 3538 K HN 0.401 nan 8.250 nan 0.000 0.458 3539 L N 1.623 122.922 121.223 0.126 0.000 2.601 3539 L HA -0.085 4.168 4.340 -0.146 0.000 0.277 3539 L C 0.500 177.341 176.870 -0.047 0.000 1.219 3539 L CA 0.919 55.639 54.840 -0.201 0.000 0.915 3539 L CB 0.207 41.763 42.059 -0.838 0.000 1.160 3539 L HN 0.296 nan 8.230 nan 0.000 0.494 3540 K N 2.995 123.395 120.400 -0.001 0.000 3.016 3540 K HA -0.285 3.947 4.320 -0.146 0.000 0.262 3540 K C 0.860 177.519 176.600 0.098 0.000 1.043 3540 K CA 1.172 57.497 56.287 0.063 0.000 0.761 3540 K CB -1.493 31.042 32.500 0.058 0.000 1.230 3540 K HN 0.928 nan 8.250 nan 0.000 0.485 3541 D N 1.188 121.642 120.400 0.091 0.000 2.097 3541 D HA -0.123 4.430 4.640 -0.146 0.000 0.195 3541 D C 1.471 177.828 176.300 0.096 0.000 0.989 3541 D CA 1.080 55.138 54.000 0.096 0.000 0.827 3541 D CB 0.436 41.287 40.800 0.085 0.000 0.966 3541 D HN 0.232 nan 8.370 nan 0.000 0.456 3542 K N 0.767 121.213 120.400 0.077 0.000 2.057 3542 K HA -0.142 4.091 4.320 -0.146 0.000 0.207 3542 K C 2.130 178.796 176.600 0.109 0.000 1.049 3542 K CA 0.871 57.194 56.287 0.059 0.000 0.931 3542 K CB -0.435 32.068 32.500 0.004 0.000 0.714 3542 K HN 0.181 nan 8.250 nan 0.000 0.440 3543 E N 0.829 121.124 120.200 0.158 0.000 2.038 3543 E HA -0.136 4.127 4.350 -0.146 0.000 0.195 3543 E C 2.145 178.981 176.600 0.394 0.000 1.000 3543 E CA 1.122 57.713 56.400 0.319 0.000 0.803 3543 E CB -0.526 29.405 29.700 0.385 0.000 0.750 3543 E HN -0.030 nan 8.360 nan 0.000 0.448 3544 V N 1.040 121.124 119.914 0.283 0.000 2.392 3544 V HA -0.304 3.728 4.120 -0.146 0.000 0.249 3544 V C 2.189 178.403 176.094 0.199 0.000 1.059 3544 V CA 1.842 64.292 62.300 0.250 0.000 1.051 3544 V CB -0.937 30.987 31.823 0.168 0.000 0.658 3544 V HN 0.366 nan 8.190 nan 0.000 0.455 3545 A N -0.315 122.597 122.820 0.153 0.000 1.877 3545 A HA -0.226 4.007 4.320 -0.146 0.000 0.216 3545 A C 2.111 179.746 177.584 0.084 0.000 1.186 3545 A CA 1.976 54.076 52.037 0.105 0.000 0.620 3545 A CB -0.694 18.358 19.000 0.086 0.000 0.822 3545 A HN 0.518 nan 8.150 nan 0.000 0.443 3546 F N -0.815 119.085 119.950 -0.083 0.000 2.134 3546 F HA -0.143 4.296 4.527 -0.146 0.000 0.299 3546 F C 1.916 177.521 175.800 -0.326 0.000 1.097 3546 F CA 1.382 59.225 58.000 -0.261 0.000 1.264 3546 F CB -0.591 38.148 39.000 -0.435 0.000 1.001 3546 F HN 0.392 nan 8.300 nan 0.000 0.479 3547 W N 0.202 121.339 121.300 -0.271 0.000 2.418 3547 W HA -0.086 4.488 4.660 -0.144 0.000 0.292 3547 W C 2.571 178.946 176.519 -0.239 0.000 1.213 3547 W CA 1.484 58.557 57.345 -0.453 0.000 1.283 3547 W CB -0.987 28.370 29.460 -0.172 0.000 1.119 3547 W HN -0.195 nan 8.180 nan 0.000 0.542 3548 T N 0.149 114.797 114.554 0.156 0.000 2.788 3548 T HA -0.264 3.999 4.350 -0.146 0.000 0.268 3548 T C 1.413 176.149 174.700 0.060 0.000 1.044 3548 T CA 1.815 64.008 62.100 0.154 0.000 1.139 3548 T CB -0.512 68.428 68.868 0.121 0.000 0.867 3548 T HN 0.161 nan 8.240 nan 0.000 0.454 3549 N N 0.796 119.466 118.700 -0.050 0.000 2.135 3549 N HA -0.043 4.610 4.740 -0.146 0.000 0.186 3549 N C 1.737 177.154 175.510 -0.156 0.000 1.027 3549 N CA 0.773 53.772 53.050 -0.086 0.000 0.849 3549 N CB -0.458 37.973 38.487 -0.094 0.000 1.002 3549 N HN 0.185 nan 8.380 nan 0.000 0.425 3550 L N -0.276 120.715 121.223 -0.386 0.000 2.027 3550 L HA 0.118 4.371 4.340 -0.146 0.000 0.206 3550 L C 1.615 178.393 176.870 -0.154 0.000 1.074 3550 L CA 1.596 56.177 54.840 -0.431 0.000 0.745 3550 L CB -0.927 40.566 42.059 -0.944 0.000 0.898 3550 L HN 0.248 nan 8.230 nan 0.000 0.433 3551 F N -0.892 119.046 119.950 -0.021 0.000 2.641 3551 F HA -0.096 4.344 4.527 -0.145 0.000 0.298 3551 F C 2.219 178.026 175.800 0.011 0.000 1.146 3551 F CA 0.226 58.244 58.000 0.030 0.000 1.464 3551 F CB -0.250 38.780 39.000 0.051 0.000 1.101 3551 F HN 0.253 nan 8.300 nan 0.000 0.585 3552 A N -0.028 122.886 122.820 0.156 0.000 1.935 3552 A HA -0.017 4.215 4.320 -0.146 0.000 0.214 3552 A C 1.385 179.013 177.584 0.073 0.000 1.178 3552 A CA 0.238 52.332 52.037 0.095 0.000 0.640 3552 A CB -0.179 18.854 19.000 0.056 0.000 0.825 3552 A HN 0.125 nan 8.150 nan 0.000 0.447 3553 K N 0.000 120.434 120.400 0.056 0.000 2.780 3553 K HA 0.000 4.233 4.320 -0.146 0.000 0.191 3553 K CA 0.000 56.314 56.287 0.044 0.000 0.838 3553 K CB 0.000 32.514 32.500 0.023 0.000 1.064 3553 K HN 0.000 nan 8.250 nan 0.000 0.543