REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1gw7_1_I DATA FIRST_RESID 3014 DATA SEQUENCE ALRNQQAMAA NLQARQIVLQ QSYPVIQQVE TQTFDPANRS VFDVTPANVG DATA SEQUENCE IVKGFLVKVT AAITNNHATE AVALTDFGPA NLVQRVIYYD PDNQRHTETS DATA SEQUENCE GWHLHFVNTA KQGAPFLSSM VTDSPIKYGD VMNVIDAPAT IAAGATGELT DATA SEQUENCE MYYWVPLAYS ETDLTGAVLA NVPQSKQRLK LEFANNNTAF AAVGANPLEA DATA SEQUENCE IYQGAGAADC EFEEISYTVY QSYLDQLPVG QNGYILPLID LSTLYNLENS DATA SEQUENCE AQAGLTPNVD FVVQYANLYR YLSTIAVFDN GGSFNAGTDI NYLSQRTANF DATA SEQUENCE SDTRKLDPKT WAAQTRRRIA TDFPKGVYYC DNRDKPIYTL QYGNVGFVVN DATA SEQUENCE PKTVNQNARL LMGYEYFTSR TE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3014 A HA 0.000 nan 4.320 nan 0.000 0.244 3014 A C 0.000 177.584 177.584 0.000 0.000 1.274 3014 A CA 0.000 52.038 52.037 0.001 0.000 0.836 3014 A CB 0.000 19.001 19.000 0.001 0.000 0.831 3015 L N 0.724 121.947 121.223 -0.000 0.000 2.718 3015 L HA 0.608 4.948 4.340 0.000 0.000 0.242 3015 L C 2.167 179.036 176.870 -0.002 0.000 1.203 3015 L CA 1.793 56.632 54.840 -0.001 0.000 1.011 3015 L CB -2.766 39.292 42.059 -0.001 0.000 1.250 3015 L HN 1.250 nan 8.230 nan 0.000 0.437 3016 R N 0.636 121.135 120.500 -0.001 0.000 2.119 3016 R HA -0.113 4.227 4.340 0.000 0.000 0.222 3016 R C 1.980 178.278 176.300 -0.004 0.000 1.088 3016 R CA 1.593 57.692 56.100 -0.002 0.000 0.984 3016 R CB -1.207 29.093 30.300 -0.000 0.000 0.884 3016 R HN 1.012 nan 8.270 nan 0.000 0.447 3017 N N -0.661 118.036 118.700 -0.005 0.000 2.333 3017 N HA -0.120 4.620 4.740 0.000 0.000 0.178 3017 N C 1.809 177.312 175.510 -0.011 0.000 1.018 3017 N CA 1.195 54.240 53.050 -0.009 0.000 0.882 3017 N CB -0.251 38.231 38.487 -0.009 0.000 0.984 3017 N HN 0.594 nan 8.380 nan 0.000 0.434 3018 Q N -0.040 119.755 119.800 -0.009 0.000 2.124 3018 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 3018 Q C 1.736 177.730 176.000 -0.009 0.000 0.977 3018 Q CA 1.502 57.300 55.803 -0.009 0.000 0.850 3018 Q CB -0.010 28.725 28.738 -0.006 0.000 0.901 3018 Q HN 0.620 nan 8.270 nan 0.000 0.429 3019 Q N -0.940 118.856 119.800 -0.007 0.000 2.187 3019 Q HA -0.025 4.315 4.340 0.000 0.000 0.199 3019 Q C 1.939 177.935 176.000 -0.007 0.000 0.957 3019 Q CA 0.908 56.708 55.803 -0.006 0.000 0.857 3019 Q CB 0.043 28.779 28.738 -0.003 0.000 0.929 3019 Q HN 0.372 nan 8.270 nan 0.000 0.453 3020 A N 0.830 123.644 122.820 -0.009 0.000 1.898 3020 A HA -0.152 4.168 4.320 0.000 0.000 0.216 3020 A C 2.053 179.627 177.584 -0.018 0.000 1.181 3020 A CA 1.088 53.118 52.037 -0.012 0.000 0.620 3020 A CB -0.295 18.697 19.000 -0.013 0.000 0.819 3020 A HN 0.209 nan 8.150 nan 0.000 0.442 3021 M N -0.307 119.280 119.600 -0.022 0.000 2.086 3021 M HA -0.125 4.355 4.480 0.000 0.000 0.261 3021 M C 2.531 178.817 176.300 -0.023 0.000 1.067 3021 M CA 1.681 56.964 55.300 -0.029 0.000 1.116 3021 M CB -1.464 31.119 32.600 -0.029 0.000 1.348 3021 M HN 0.490 nan 8.290 nan 0.000 0.407 3022 A N 0.082 122.893 122.820 -0.016 0.000 1.902 3022 A HA 0.006 4.326 4.320 0.000 0.000 0.217 3022 A C 2.418 179.996 177.584 -0.010 0.000 1.181 3022 A CA 2.073 54.102 52.037 -0.012 0.000 0.623 3022 A CB -0.890 18.106 19.000 -0.008 0.000 0.818 3022 A HN 0.483 nan 8.150 nan 0.000 0.443 3023 A N 0.289 123.104 122.820 -0.008 0.000 1.902 3023 A HA -0.220 4.100 4.320 0.000 0.000 0.217 3023 A C 1.964 179.544 177.584 -0.007 0.000 1.181 3023 A CA 2.136 54.170 52.037 -0.004 0.000 0.623 3023 A CB -0.796 18.203 19.000 -0.002 0.000 0.818 3023 A HN 0.651 nan 8.150 nan 0.000 0.443 3024 N N -0.288 118.404 118.700 -0.014 0.000 2.043 3024 N HA -0.170 4.570 4.740 0.000 0.000 0.193 3024 N C 1.602 177.099 175.510 -0.020 0.000 1.037 3024 N CA 1.763 54.801 53.050 -0.020 0.000 0.851 3024 N CB -0.367 38.099 38.487 -0.034 0.000 1.027 3024 N HN 0.284 nan 8.380 nan 0.000 0.422 3025 L N 1.249 122.459 121.223 -0.023 0.000 2.042 3025 L HA -0.175 4.165 4.340 0.000 0.000 0.210 3025 L C 2.347 179.210 176.870 -0.011 0.000 1.076 3025 L CA 1.858 56.686 54.840 -0.020 0.000 0.749 3025 L CB -1.205 40.842 42.059 -0.019 0.000 0.893 3025 L HN 0.432 nan 8.230 nan 0.000 0.432 3026 Q N -0.937 118.858 119.800 -0.007 0.000 2.084 3026 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 3026 Q C 2.121 178.122 176.000 0.001 0.000 0.978 3026 Q CA 1.858 57.660 55.803 -0.002 0.000 0.844 3026 Q CB -0.210 28.528 28.738 0.001 0.000 0.898 3026 Q HN 0.648 nan 8.270 nan 0.000 0.426 3027 A N 1.336 124.157 122.820 0.002 0.000 1.902 3027 A HA -0.222 4.098 4.320 0.000 0.000 0.217 3027 A C 2.140 179.725 177.584 0.002 0.000 1.181 3027 A CA 1.535 53.576 52.037 0.007 0.000 0.623 3027 A CB -0.702 18.303 19.000 0.010 0.000 0.818 3027 A HN 0.437 nan 8.150 nan 0.000 0.443 3028 R N -0.317 120.180 120.500 -0.006 0.000 2.073 3028 R HA -0.199 4.141 4.340 0.000 0.000 0.234 3028 R C 2.348 178.643 176.300 -0.007 0.000 1.134 3028 R CA 1.958 58.053 56.100 -0.009 0.000 0.952 3028 R CB -0.394 29.896 30.300 -0.016 0.000 0.850 3028 R HN 0.709 nan 8.270 nan 0.000 0.433 3029 Q N 0.081 119.877 119.800 -0.006 0.000 2.096 3029 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 3029 Q C 2.234 178.233 176.000 -0.001 0.000 0.982 3029 Q CA 1.800 57.600 55.803 -0.004 0.000 0.850 3029 Q CB -0.130 28.606 28.738 -0.003 0.000 0.901 3029 Q HN 0.457 nan 8.270 nan 0.000 0.422 3030 I N -0.185 120.387 120.570 0.003 0.000 2.252 3030 I HA -0.234 3.936 4.170 0.000 0.000 0.245 3030 I C 2.210 178.332 176.117 0.007 0.000 1.102 3030 I CA 0.685 61.990 61.300 0.009 0.000 1.385 3030 I CB -0.179 37.830 38.000 0.015 0.000 1.064 3030 I HN 0.040 nan 8.210 nan 0.000 0.414 3031 V N 1.197 121.112 119.914 0.002 0.000 2.287 3031 V HA -0.288 3.832 4.120 0.000 0.000 0.248 3031 V C 2.393 178.482 176.094 -0.009 0.000 1.053 3031 V CA 1.797 64.093 62.300 -0.007 0.000 1.027 3031 V CB -0.439 31.375 31.823 -0.015 0.000 0.646 3031 V HN 0.362 nan 8.190 nan 0.000 0.447 3032 L N -0.585 120.631 121.223 -0.012 0.000 2.083 3032 L HA -0.231 4.109 4.340 0.000 0.000 0.209 3032 L C 2.661 179.523 176.870 -0.013 0.000 1.083 3032 L CA 1.644 56.472 54.840 -0.020 0.000 0.752 3032 L CB -0.578 41.468 42.059 -0.022 0.000 0.899 3032 L HN 0.415 nan 8.230 nan 0.000 0.433 3033 Q N -0.900 118.900 119.800 -0.001 0.000 2.187 3033 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 3033 Q C 2.160 178.175 176.000 0.025 0.000 0.957 3033 Q CA 0.798 56.607 55.803 0.009 0.000 0.857 3033 Q CB 0.061 28.805 28.738 0.009 0.000 0.929 3033 Q HN 0.507 nan 8.270 nan 0.000 0.453 3034 Q N 0.458 120.273 119.800 0.025 0.000 2.204 3034 Q HA 0.038 4.378 4.340 0.000 0.000 0.198 3034 Q C 1.309 177.340 176.000 0.053 0.000 0.946 3034 Q CA 0.559 56.385 55.803 0.038 0.000 0.859 3034 Q CB 0.206 28.963 28.738 0.032 0.000 0.946 3034 Q HN 0.258 nan 8.270 nan 0.000 0.474 3035 S N -0.501 115.223 115.700 0.040 0.000 2.645 3035 S HA 0.341 4.811 4.470 0.000 0.000 0.266 3035 S C -0.643 174.019 174.600 0.104 0.000 1.258 3035 S CA -0.652 57.581 58.200 0.056 0.000 0.990 3035 S CB 0.884 64.093 63.200 0.014 0.000 0.967 3035 S HN 0.196 nan 8.310 nan 0.000 0.556 3036 Y N 1.842 122.125 120.300 -0.029 0.000 2.350 3036 Y HA 0.519 5.069 4.550 0.000 0.000 0.338 3036 Y C -2.558 173.292 175.900 -0.083 0.000 0.961 3036 Y CA -2.271 55.802 58.100 -0.046 0.000 1.100 3036 Y CB 1.951 40.389 38.460 -0.037 0.000 1.179 3036 Y HN 0.566 nan 8.280 nan 0.000 0.454 3037 P HA 0.196 nan 4.420 nan 0.000 0.271 3037 P C -1.266 175.805 177.300 -0.381 0.000 1.216 3037 P CA 0.131 62.980 63.100 -0.418 0.000 0.776 3037 P CB 1.945 33.395 31.700 -0.416 0.000 0.881 3038 V N 4.375 124.030 119.914 -0.431 0.000 2.841 3038 V HA 0.477 4.597 4.120 0.000 0.000 0.310 3038 V C -0.042 175.811 176.094 -0.402 0.000 1.090 3038 V CA -0.736 61.305 62.300 -0.430 0.000 0.930 3038 V CB 2.471 33.873 31.823 -0.701 0.000 1.014 3038 V HN 0.534 nan 8.190 nan 0.000 0.425 3039 I N 4.208 124.692 120.570 -0.144 0.000 2.478 3039 I HA 0.639 4.809 4.170 0.000 0.000 0.287 3039 I C -0.839 175.379 176.117 0.168 0.000 1.042 3039 I CA -0.097 61.221 61.300 0.029 0.000 1.067 3039 I CB 1.585 39.605 38.000 0.033 0.000 1.233 3039 I HN 0.934 nan 8.210 nan 0.000 0.431 3040 Q N 5.768 125.759 119.800 0.318 0.000 2.379 3040 Q HA 0.386 4.726 4.340 0.000 0.000 0.278 3040 Q C -1.370 174.856 176.000 0.376 0.000 1.068 3040 Q CA -0.940 55.081 55.803 0.363 0.000 0.816 3040 Q CB 1.933 30.853 28.738 0.304 0.000 1.387 3040 Q HN 0.672 nan 8.270 nan 0.000 0.413 3041 Q N 1.196 121.143 119.800 0.245 0.000 2.330 3041 Q HA 0.105 4.445 4.340 0.000 0.000 0.279 3041 Q C -0.557 175.447 176.000 0.006 0.000 1.024 3041 Q CA 0.133 55.852 55.803 -0.140 0.000 0.900 3041 Q CB 1.086 29.671 28.738 -0.255 0.000 1.221 3041 Q HN 0.707 nan 8.270 nan 0.000 0.396 3042 V N 2.956 122.868 119.914 -0.004 0.000 2.908 3042 V HA 0.191 4.311 4.120 0.000 0.000 0.240 3042 V C 0.183 176.296 176.094 0.032 0.000 1.117 3042 V CA 0.959 63.298 62.300 0.064 0.000 1.133 3042 V CB 0.425 32.327 31.823 0.130 0.000 0.857 3042 V HN 0.927 nan 8.190 nan 0.000 0.478 3043 E N -1.072 119.133 120.200 0.009 0.000 2.388 3043 E HA 0.407 4.757 4.350 0.000 0.000 0.282 3043 E C -1.654 174.924 176.600 -0.037 0.000 1.026 3043 E CA -0.344 56.067 56.400 0.019 0.000 0.820 3043 E CB 2.217 31.983 29.700 0.109 0.000 1.226 3043 E HN 0.158 nan 8.360 nan 0.000 0.432 3044 T N 2.560 117.024 114.554 -0.150 0.000 2.912 3044 T HA 0.495 4.845 4.350 0.000 0.000 0.299 3044 T C -1.298 173.122 174.700 -0.467 0.000 1.052 3044 T CA -0.626 61.282 62.100 -0.320 0.000 0.996 3044 T CB 1.748 70.493 68.868 -0.206 0.000 1.070 3044 T HN 0.458 nan 8.240 nan 0.000 0.465 3045 Q N 0.786 120.094 119.800 -0.821 0.000 2.353 3045 Q HA 0.581 4.921 4.340 0.000 0.000 0.275 3045 Q C -1.663 174.060 176.000 -0.462 0.000 1.029 3045 Q CA -0.603 54.836 55.803 -0.607 0.000 0.848 3045 Q CB 2.140 30.472 28.738 -0.677 0.000 1.390 3045 Q HN 0.646 nan 8.270 nan 0.000 0.401 3046 T N 3.615 118.050 114.554 -0.199 0.000 2.824 3046 T HA 0.772 5.122 4.350 0.000 0.000 0.282 3046 T C -1.221 173.479 174.700 -0.001 0.000 0.993 3046 T CA -0.371 61.624 62.100 -0.175 0.000 0.967 3046 T CB 0.360 69.133 68.868 -0.157 0.000 0.960 3046 T HN 0.458 nan 8.240 nan 0.000 0.441 3047 F N -0.204 119.637 119.950 -0.181 0.000 2.779 3047 F HA 0.732 5.259 4.527 0.000 0.000 0.316 3047 F C -1.596 174.170 175.800 -0.057 0.000 1.164 3047 F CA -1.318 56.641 58.000 -0.068 0.000 0.924 3047 F CB 1.146 40.169 39.000 0.039 0.000 1.348 3047 F HN 0.301 nan 8.300 nan 0.000 0.467 3048 D N 2.287 122.768 120.400 0.134 0.000 2.349 3048 D HA 0.366 5.006 4.640 0.000 0.000 0.232 3048 D C -1.891 174.562 176.300 0.255 0.000 1.071 3048 D CA -2.616 51.419 54.000 0.059 0.000 0.832 3048 D CB 2.243 43.097 40.800 0.090 0.000 1.086 3048 D HN 0.324 nan 8.370 nan 0.000 0.504 3049 P HA -0.077 nan 4.420 nan 0.000 0.228 3049 P C 0.880 178.302 177.300 0.203 0.000 1.151 3049 P CA 0.415 63.680 63.100 0.274 0.000 0.770 3049 P CB 0.262 31.980 31.700 0.030 0.000 0.786 3050 A N -0.096 122.831 122.820 0.179 0.000 2.066 3050 A HA -0.110 4.210 4.320 0.000 0.000 0.218 3050 A C 2.066 179.723 177.584 0.121 0.000 1.157 3050 A CA 1.134 53.261 52.037 0.151 0.000 0.670 3050 A CB -0.737 18.349 19.000 0.142 0.000 0.804 3050 A HN 0.144 nan 8.150 nan 0.000 0.453 3051 N N -1.015 117.768 118.700 0.138 0.000 2.349 3051 N HA 0.081 4.821 4.740 0.000 0.000 0.180 3051 N C 0.751 176.301 175.510 0.066 0.000 1.024 3051 N CA 0.654 53.765 53.050 0.102 0.000 0.869 3051 N CB 0.115 38.674 38.487 0.120 0.000 1.022 3051 N HN 0.517 nan 8.380 nan 0.000 0.433 3052 R N -0.169 120.391 120.500 0.101 0.000 2.561 3052 R HA 0.230 4.570 4.340 0.000 0.000 0.266 3052 R C -0.683 175.616 176.300 -0.001 0.000 1.091 3052 R CA -0.044 56.022 56.100 -0.058 0.000 0.927 3052 R CB 0.885 31.044 30.300 -0.236 0.000 1.240 3052 R HN 0.097 nan 8.270 nan 0.000 0.449 3053 S N 1.082 116.754 115.700 -0.047 0.000 2.733 3053 S HA 0.209 4.679 4.470 0.000 0.000 0.247 3053 S C -0.229 174.460 174.600 0.148 0.000 1.043 3053 S CA -0.233 58.068 58.200 0.169 0.000 1.066 3053 S CB 0.826 64.150 63.200 0.208 0.000 1.045 3053 S HN 0.164 nan 8.310 nan 0.000 0.586 3054 V N 2.708 122.495 119.914 -0.212 0.000 2.417 3054 V HA 0.644 4.764 4.120 0.000 0.000 0.291 3054 V C -1.337 174.452 176.094 -0.509 0.000 1.024 3054 V CA -0.553 61.635 62.300 -0.186 0.000 0.861 3054 V CB 0.963 32.686 31.823 -0.167 0.000 0.985 3054 V HN 0.405 nan 8.190 nan 0.000 0.436 3055 F N 2.082 121.970 119.950 -0.103 0.000 2.556 3055 F HA 0.473 5.000 4.527 0.000 0.000 0.314 3055 F C -0.071 175.650 175.800 -0.133 0.000 1.106 3055 F CA -0.837 57.101 58.000 -0.104 0.000 0.911 3055 F CB 1.919 40.883 39.000 -0.060 0.000 1.190 3055 F HN 0.385 nan 8.300 nan 0.000 0.448 3056 D N 3.163 123.583 120.400 0.034 0.000 2.427 3056 D HA 0.361 5.001 4.640 0.000 0.000 0.226 3056 D C -0.968 175.333 176.300 0.002 0.000 1.076 3056 D CA -0.069 53.915 54.000 -0.027 0.000 0.849 3056 D CB 1.432 42.193 40.800 -0.065 0.000 1.052 3056 D HN 0.198 nan 8.370 nan 0.000 0.515 3057 V N 3.307 123.196 119.914 -0.042 0.000 2.546 3057 V HA 0.294 4.414 4.120 0.000 0.000 0.284 3057 V C 0.795 176.849 176.094 -0.067 0.000 1.050 3057 V CA -0.334 61.947 62.300 -0.032 0.000 0.981 3057 V CB 1.667 33.435 31.823 -0.093 0.000 0.990 3057 V HN 0.503 nan 8.190 nan 0.000 0.474 3058 T N 6.741 121.280 114.554 -0.025 0.000 2.929 3058 T HA 0.359 4.709 4.350 0.000 0.000 0.331 3058 T C -2.368 172.336 174.700 0.006 0.000 1.120 3058 T CA -0.901 61.183 62.100 -0.026 0.000 0.973 3058 T CB 0.985 69.846 68.868 -0.013 0.000 1.036 3058 T HN 0.481 nan 8.240 nan 0.000 0.502 3059 P HA 0.309 nan 4.420 nan 0.000 0.269 3059 P C -0.534 176.823 177.300 0.095 0.000 1.215 3059 P CA -0.433 62.744 63.100 0.130 0.000 0.780 3059 P CB 0.459 32.330 31.700 0.285 0.000 0.898 3060 A N 2.297 125.168 122.820 0.085 0.000 2.388 3060 A HA 0.221 4.541 4.320 0.000 0.000 0.257 3060 A C 0.144 177.709 177.584 -0.032 0.000 1.095 3060 A CA -0.276 51.766 52.037 0.009 0.000 0.791 3060 A CB -0.287 18.699 19.000 -0.025 0.000 1.029 3060 A HN 0.465 nan 8.150 nan 0.000 0.489 3061 N N 1.208 119.886 118.700 -0.037 0.000 2.602 3061 N HA 0.427 5.167 4.740 0.000 0.000 0.238 3061 N C -1.246 174.206 175.510 -0.097 0.000 1.084 3061 N CA 0.172 53.197 53.050 -0.041 0.000 0.952 3061 N CB 0.897 39.380 38.487 -0.007 0.000 1.244 3061 N HN 0.307 nan 8.380 nan 0.000 0.512 3062 V N 0.315 120.110 119.914 -0.199 0.000 2.711 3062 V HA 0.625 4.745 4.120 0.000 0.000 0.304 3062 V C 0.829 176.783 176.094 -0.234 0.000 1.097 3062 V CA -0.656 61.488 62.300 -0.261 0.000 0.906 3062 V CB 1.329 32.865 31.823 -0.479 0.000 1.015 3062 V HN 0.782 nan 8.190 nan 0.000 0.427 3063 G N 4.907 113.657 108.800 -0.083 0.000 2.582 3063 G HA2 -0.265 3.695 3.960 0.000 0.000 0.300 3063 G HA3 -0.265 3.695 3.960 0.000 0.000 0.300 3063 G C -0.123 174.768 174.900 -0.015 0.000 1.300 3063 G CA 0.480 45.561 45.100 -0.030 0.000 0.959 3063 G HN 0.842 nan 8.290 nan 0.000 0.548 3064 I N 0.653 121.237 120.570 0.024 0.000 2.325 3064 I HA 0.354 4.524 4.170 0.000 0.000 0.291 3064 I C 0.456 176.608 176.117 0.059 0.000 1.019 3064 I CA -0.639 60.675 61.300 0.024 0.000 1.302 3064 I CB 1.462 39.466 38.000 0.007 0.000 1.401 3064 I HN 0.302 nan 8.210 nan 0.000 0.485 3065 V N 7.597 127.518 119.914 0.013 0.000 2.432 3065 V HA 0.172 4.292 4.120 0.000 0.000 0.275 3065 V C 0.808 176.839 176.094 -0.104 0.000 1.043 3065 V CA -0.305 61.967 62.300 -0.047 0.000 0.925 3065 V CB 1.230 32.986 31.823 -0.110 0.000 0.985 3065 V HN 0.743 nan 8.190 nan 0.000 0.466 3066 K N 2.792 123.129 120.400 -0.104 0.000 2.308 3066 K HA 0.484 4.804 4.320 0.000 0.000 0.197 3066 K C 0.802 177.300 176.600 -0.169 0.000 1.049 3066 K CA 0.707 56.972 56.287 -0.037 0.000 0.991 3066 K CB 0.665 33.231 32.500 0.109 0.000 0.836 3066 K HN 0.934 nan 8.250 nan 0.000 0.500 3067 G N -0.171 108.300 108.800 -0.549 0.000 2.315 3067 G HA2 0.343 4.303 3.960 0.000 0.000 0.294 3067 G HA3 0.343 4.303 3.960 0.000 0.000 0.294 3067 G C -1.952 172.069 174.900 -1.466 0.000 1.300 3067 G CA -1.061 43.357 45.100 -1.136 0.000 0.843 3067 G HN -0.012 nan 8.290 nan 0.000 0.527 3068 F N -0.516 118.846 119.950 -0.979 0.000 2.547 3068 F HA 0.672 5.199 4.527 0.000 0.000 0.316 3068 F C -0.221 175.469 175.800 -0.183 0.000 1.121 3068 F CA -0.847 56.923 58.000 -0.383 0.000 0.911 3068 F CB 2.354 41.228 39.000 -0.210 0.000 1.179 3068 F HN 0.423 nan 8.300 nan 0.000 0.443 3069 L N 4.371 125.866 121.223 0.452 0.000 2.272 3069 L HA 0.718 5.058 4.340 0.000 0.000 0.289 3069 L C -1.047 176.160 176.870 0.563 0.000 1.032 3069 L CA -0.515 54.717 54.840 0.653 0.000 0.810 3069 L CB 1.144 43.623 42.059 0.700 0.000 1.205 3069 L HN 0.408 nan 8.230 nan 0.000 0.422 3070 V N 5.643 125.850 119.914 0.488 0.000 2.357 3070 V HA 0.391 4.511 4.120 0.000 0.000 0.284 3070 V C 0.059 176.316 176.094 0.270 0.000 1.018 3070 V CA -0.821 61.698 62.300 0.366 0.000 0.841 3070 V CB 1.165 33.139 31.823 0.252 0.000 0.991 3070 V HN 0.722 nan 8.190 nan 0.000 0.437 3071 K N 4.289 124.759 120.400 0.117 0.000 2.201 3071 K HA 0.675 4.995 4.320 0.000 0.000 0.278 3071 K C -1.324 175.243 176.600 -0.055 0.000 1.027 3071 K CA -0.342 55.726 56.287 -0.364 0.000 0.909 3071 K CB 1.481 33.834 32.500 -0.244 0.000 1.062 3071 K HN 0.498 nan 8.250 nan 0.000 0.465 3072 V N 3.675 123.540 119.914 -0.081 0.000 2.577 3072 V HA 0.334 4.454 4.120 0.000 0.000 0.303 3072 V C -0.284 175.826 176.094 0.026 0.000 1.042 3072 V CA -0.827 61.538 62.300 0.107 0.000 0.872 3072 V CB 1.640 33.656 31.823 0.323 0.000 0.998 3072 V HN 1.022 nan 8.190 nan 0.000 0.423 3073 T N 1.378 115.933 114.554 0.003 0.000 2.924 3073 T HA 0.977 5.327 4.350 0.000 0.000 0.291 3073 T C -0.465 174.234 174.700 -0.003 0.000 1.045 3073 T CA -0.447 61.657 62.100 0.007 0.000 1.015 3073 T CB 2.366 71.228 68.868 -0.010 0.000 1.103 3073 T HN 1.450 nan 8.240 nan 0.000 0.496 3074 A N 0.362 123.216 122.820 0.057 0.000 2.612 3074 A HA 0.897 5.217 4.320 0.000 0.000 0.293 3074 A C -1.111 176.551 177.584 0.130 0.000 1.075 3074 A CA -0.731 51.368 52.037 0.103 0.000 0.680 3074 A CB 1.094 20.260 19.000 0.277 0.000 1.279 3074 A HN 1.733 nan 8.150 nan 0.000 0.411 3075 A N 0.994 123.899 122.820 0.142 0.000 2.330 3075 A HA 0.797 5.117 4.320 0.000 0.000 0.313 3075 A C -0.907 176.751 177.584 0.123 0.000 1.124 3075 A CA -0.293 51.802 52.037 0.097 0.000 0.774 3075 A CB 0.515 19.542 19.000 0.045 0.000 1.198 3075 A HN 0.797 nan 8.150 nan 0.000 0.465 3076 I N 1.595 122.187 120.570 0.037 0.000 2.545 3076 I HA 0.428 4.598 4.170 0.000 0.000 0.292 3076 I C -0.326 175.713 176.117 -0.131 0.000 1.040 3076 I CA -0.291 60.973 61.300 -0.060 0.000 1.068 3076 I CB 2.728 40.665 38.000 -0.104 0.000 1.251 3076 I HN 0.577 nan 8.210 nan 0.000 0.424 3077 T N 4.007 118.463 114.554 -0.165 0.000 2.807 3077 T HA 0.273 4.623 4.350 0.000 0.000 0.279 3077 T C -0.395 174.151 174.700 -0.257 0.000 0.993 3077 T CA -0.602 61.396 62.100 -0.171 0.000 0.970 3077 T CB 1.147 69.954 68.868 -0.101 0.000 0.950 3077 T HN 0.417 nan 8.240 nan 0.000 0.441 3078 N N 2.764 121.324 118.700 -0.234 0.000 2.485 3078 N HA 0.189 4.929 4.740 0.000 0.000 0.243 3078 N C -0.012 175.417 175.510 -0.135 0.000 0.987 3078 N CA -0.519 52.389 53.050 -0.237 0.000 0.940 3078 N CB 0.406 38.758 38.487 -0.224 0.000 1.122 3078 N HN 0.368 nan 8.380 nan 0.000 0.509 3079 N N 1.504 120.133 118.700 -0.119 0.000 2.276 3079 N HA -0.039 4.701 4.740 0.000 0.000 0.212 3079 N C -0.315 175.165 175.510 -0.050 0.000 1.127 3079 N CA -0.109 52.895 53.050 -0.077 0.000 0.834 3079 N CB -0.189 38.250 38.487 -0.079 0.000 1.014 3079 N HN 0.654 nan 8.380 nan 0.000 0.491 3080 H N 0.321 119.325 119.070 -0.109 0.000 2.871 3080 H HA 0.194 4.750 4.556 0.000 0.000 0.355 3080 H C 1.325 176.615 175.328 -0.063 0.000 1.092 3080 H CA 0.388 56.387 56.048 -0.082 0.000 1.420 3080 H CB 1.093 30.804 29.762 -0.084 0.000 1.400 3080 H HN 0.131 nan 8.280 nan 0.000 0.604 3081 A N 2.578 125.190 122.820 -0.346 0.000 1.969 3081 A HA -0.125 4.195 4.320 0.000 0.000 0.218 3081 A C 1.867 179.465 177.584 0.024 0.000 1.169 3081 A CA 2.166 54.115 52.037 -0.146 0.000 0.635 3081 A CB -0.453 18.425 19.000 -0.203 0.000 0.810 3081 A HN 0.889 nan 8.150 nan 0.000 0.445 3082 T N -5.197 109.499 114.554 0.237 0.000 3.074 3082 T HA 0.178 4.528 4.350 0.000 0.000 0.258 3082 T C 0.159 174.939 174.700 0.134 0.000 0.891 3082 T CA -0.261 61.940 62.100 0.169 0.000 0.867 3082 T CB 0.117 69.055 68.868 0.116 0.000 1.261 3082 T HN 0.199 nan 8.240 nan 0.000 0.537 3083 E N 1.742 122.028 120.200 0.143 0.000 2.242 3083 E HA 0.744 5.094 4.350 0.000 0.000 0.275 3083 E C -0.186 176.327 176.600 -0.146 0.000 1.002 3083 E CA -0.420 55.890 56.400 -0.150 0.000 0.841 3083 E CB 1.935 31.364 29.700 -0.453 0.000 1.109 3083 E HN 0.539 nan 8.360 nan 0.000 0.394 3084 A N 1.687 124.443 122.820 -0.107 0.000 2.239 3084 A HA 0.684 5.004 4.320 0.000 0.000 0.303 3084 A C -0.111 177.419 177.584 -0.089 0.000 1.114 3084 A CA -0.546 51.439 52.037 -0.087 0.000 0.871 3084 A CB 0.743 19.715 19.000 -0.047 0.000 1.201 3084 A HN 0.400 nan 8.150 nan 0.000 0.506 3085 V N -4.011 115.867 119.914 -0.059 0.000 3.007 3085 V HA 0.936 5.056 4.120 0.000 0.000 0.311 3085 V C -0.223 175.956 176.094 0.142 0.000 1.120 3085 V CA -0.332 61.982 62.300 0.024 0.000 0.980 3085 V CB 1.098 32.933 31.823 0.019 0.000 1.033 3085 V HN 1.855 nan 8.190 nan 0.000 0.429 3086 A N 2.764 125.721 122.820 0.228 0.000 2.413 3086 A HA 0.856 5.176 4.320 0.000 0.000 0.307 3086 A C -0.550 177.158 177.584 0.206 0.000 1.087 3086 A CA -0.978 51.202 52.037 0.240 0.000 0.750 3086 A CB 1.457 20.517 19.000 0.099 0.000 1.296 3086 A HN 1.081 nan 8.150 nan 0.000 0.423 3087 L N 1.832 123.074 121.223 0.031 0.000 2.514 3087 L HA 0.152 4.492 4.340 0.000 0.000 0.280 3087 L C 1.487 178.261 176.870 -0.160 0.000 1.223 3087 L CA 0.102 54.762 54.840 -0.301 0.000 0.864 3087 L CB 0.513 42.426 42.059 -0.243 0.000 1.118 3087 L HN 0.998 nan 8.230 nan 0.000 0.494 3088 T N -2.001 112.429 114.554 -0.206 0.000 2.770 3088 T HA 0.090 4.441 4.350 0.000 0.000 0.281 3088 T C 0.742 175.360 174.700 -0.137 0.000 0.981 3088 T CA -0.792 61.203 62.100 -0.175 0.000 0.955 3088 T CB 0.792 69.522 68.868 -0.230 0.000 1.060 3088 T HN 0.503 nan 8.240 nan 0.000 0.531 3089 D N -0.240 120.052 120.400 -0.180 0.000 2.178 3089 D HA -0.012 4.628 4.640 0.000 0.000 0.201 3089 D C 1.520 177.976 176.300 0.261 0.000 0.980 3089 D CA 1.044 55.034 54.000 -0.017 0.000 0.842 3089 D CB -0.221 40.523 40.800 -0.093 0.000 0.948 3089 D HN 0.469 nan 8.370 nan 0.000 0.472 3090 F N 0.194 120.081 119.950 -0.104 0.000 2.473 3090 F HA 0.241 4.768 4.527 0.000 0.000 0.294 3090 F C 2.200 177.953 175.800 -0.079 0.000 1.103 3090 F CA 0.430 58.406 58.000 -0.041 0.000 1.442 3090 F CB -0.944 38.008 39.000 -0.080 0.000 1.097 3090 F HN -0.020 nan 8.300 nan 0.000 0.547 3091 G N 2.643 111.469 108.800 0.044 0.000 2.685 3091 G HA2 -0.341 3.619 3.960 0.000 0.000 0.329 3091 G HA3 -0.341 3.619 3.960 0.000 0.000 0.329 3091 G C -1.111 173.763 174.900 -0.044 0.000 1.271 3091 G CA 0.578 45.619 45.100 -0.098 0.000 1.003 3091 G HN 0.210 nan 8.290 nan 0.000 0.549 3092 P HA 0.043 nan 4.420 nan 0.000 0.225 3092 P C 1.662 178.973 177.300 0.018 0.000 1.148 3092 P CA 2.317 65.424 63.100 0.010 0.000 0.779 3092 P CB -0.380 31.319 31.700 -0.002 0.000 0.780 3093 A N 0.183 122.972 122.820 -0.052 0.000 2.121 3093 A HA -0.115 4.205 4.320 0.000 0.000 0.218 3093 A C 1.878 179.595 177.584 0.221 0.000 1.154 3093 A CA 1.111 53.116 52.037 -0.055 0.000 0.679 3093 A CB -1.033 17.829 19.000 -0.229 0.000 0.795 3093 A HN 0.128 nan 8.150 nan 0.000 0.458 3094 N N -0.362 118.466 118.700 0.213 0.000 2.314 3094 N HA 0.174 4.914 4.740 0.000 0.000 0.200 3094 N C 1.102 176.752 175.510 0.235 0.000 1.135 3094 N CA 0.098 53.296 53.050 0.246 0.000 0.835 3094 N CB 0.030 38.646 38.487 0.214 0.000 0.989 3094 N HN 0.482 nan 8.380 nan 0.000 0.478 3095 L N -0.299 121.095 121.223 0.285 0.000 2.141 3095 L HA -0.012 4.328 4.340 0.000 0.000 0.209 3095 L C 0.326 177.373 176.870 0.294 0.000 1.094 3095 L CA 0.804 55.843 54.840 0.331 0.000 0.763 3095 L CB 0.194 42.470 42.059 0.363 0.000 0.908 3095 L HN -0.116 nan 8.230 nan 0.000 0.437 3096 V N -0.002 120.009 119.914 0.161 0.000 2.370 3096 V HA 0.121 4.241 4.120 0.000 0.000 0.283 3096 V C 0.556 176.556 176.094 -0.157 0.000 1.023 3096 V CA -0.525 61.645 62.300 -0.216 0.000 0.857 3096 V CB 1.678 33.068 31.823 -0.722 0.000 0.985 3096 V HN 0.183 nan 8.190 nan 0.000 0.443 3097 Q N 3.568 123.287 119.800 -0.134 0.000 2.123 3097 Q HA 0.200 4.540 4.340 0.000 0.000 0.196 3097 Q C 0.452 176.360 176.000 -0.153 0.000 0.958 3097 Q CA 1.018 56.784 55.803 -0.061 0.000 0.841 3097 Q CB 0.441 29.179 28.738 0.000 0.000 0.915 3097 Q HN 0.613 nan 8.270 nan 0.000 0.455 3098 R N -0.756 119.603 120.500 -0.236 0.000 2.707 3098 R HA 0.617 4.957 4.340 0.000 0.000 0.272 3098 R C -1.398 174.710 176.300 -0.320 0.000 1.011 3098 R CA -0.484 55.467 56.100 -0.248 0.000 0.893 3098 R CB 2.377 32.581 30.300 -0.160 0.000 1.233 3098 R HN -0.182 nan 8.270 nan 0.000 0.464 3099 V N 3.218 122.951 119.914 -0.301 0.000 2.686 3099 V HA 0.577 4.697 4.120 0.000 0.000 0.306 3099 V C -1.030 174.931 176.094 -0.221 0.000 1.065 3099 V CA -0.742 61.376 62.300 -0.303 0.000 0.894 3099 V CB 2.082 33.693 31.823 -0.354 0.000 1.004 3099 V HN 0.534 nan 8.190 nan 0.000 0.424 3100 I N 4.688 125.148 120.570 -0.184 0.000 2.569 3100 I HA 0.492 4.662 4.170 0.000 0.000 0.290 3100 I C -1.162 174.872 176.117 -0.139 0.000 1.088 3100 I CA -0.525 60.670 61.300 -0.174 0.000 1.047 3100 I CB 1.973 39.884 38.000 -0.148 0.000 1.237 3100 I HN 0.638 nan 8.210 nan 0.000 0.421 3101 Y N 6.102 126.218 120.300 -0.307 0.000 2.393 3101 Y HA 0.714 5.264 4.550 0.000 0.000 0.341 3101 Y C -1.731 173.997 175.900 -0.286 0.000 0.988 3101 Y CA -0.849 57.108 58.100 -0.237 0.000 1.078 3101 Y CB 1.345 39.675 38.460 -0.216 0.000 1.203 3101 Y HN 0.464 nan 8.280 nan 0.000 0.453 3102 Y N 4.135 123.879 120.300 -0.927 0.000 2.425 3102 Y HA 0.305 4.855 4.550 0.000 0.000 0.344 3102 Y C -0.245 175.089 175.900 -0.944 0.000 0.969 3102 Y CA -1.177 56.561 58.100 -0.602 0.000 1.052 3102 Y CB 1.309 39.577 38.460 -0.320 0.000 1.215 3102 Y HN 0.715 nan 8.280 nan 0.000 0.451 3103 D N 2.275 122.526 120.400 -0.249 0.000 2.478 3103 D HA 0.252 4.892 4.640 0.000 0.000 0.269 3103 D C -2.195 174.098 176.300 -0.013 0.000 1.232 3103 D CA -2.228 51.723 54.000 -0.082 0.000 1.059 3103 D CB 0.243 41.179 40.800 0.228 0.000 1.104 3103 D HN 0.164 nan 8.370 nan 0.000 0.566 3104 P HA -0.069 nan 4.420 nan 0.000 0.221 3104 P C 0.077 177.394 177.300 0.029 0.000 1.145 3104 P CA 1.061 64.177 63.100 0.026 0.000 0.795 3104 P CB 0.098 31.826 31.700 0.046 0.000 0.775 3105 D N -1.996 118.439 120.400 0.059 0.000 2.328 3105 D HA 0.034 4.674 4.640 0.000 0.000 0.221 3105 D C 0.387 176.720 176.300 0.055 0.000 1.072 3105 D CA 0.102 54.135 54.000 0.054 0.000 0.850 3105 D CB -0.659 40.183 40.800 0.070 0.000 0.922 3105 D HN 0.005 nan 8.370 nan 0.000 0.516 3106 N N 1.097 119.830 118.700 0.054 0.000 2.741 3106 N HA -0.228 4.512 4.740 0.000 0.000 0.250 3106 N C -0.324 175.302 175.510 0.194 0.000 1.115 3106 N CA 0.453 53.549 53.050 0.077 0.000 0.724 3106 N CB -0.913 37.567 38.487 -0.011 0.000 1.090 3106 N HN 0.164 nan 8.380 nan 0.000 0.558 3107 Q N 1.048 120.958 119.800 0.184 0.000 2.279 3107 Q HA 0.300 4.640 4.340 0.000 0.000 0.256 3107 Q C -0.123 176.006 176.000 0.215 0.000 0.937 3107 Q CA -0.287 55.619 55.803 0.172 0.000 0.933 3107 Q CB 0.750 29.564 28.738 0.127 0.000 1.189 3107 Q HN 0.300 nan 8.270 nan 0.000 0.417 3108 R N 3.956 124.506 120.500 0.083 0.000 2.438 3108 R HA 0.190 4.530 4.340 0.000 0.000 0.287 3108 R C -0.089 176.215 176.300 0.006 0.000 1.077 3108 R CA 0.070 56.077 56.100 -0.154 0.000 1.034 3108 R CB 0.422 30.537 30.300 -0.309 0.000 0.993 3108 R HN 0.884 nan 8.270 nan 0.000 0.459 3109 H N 0.906 119.916 119.070 -0.100 0.000 4.661 3109 H HA 0.147 4.703 4.556 0.000 0.000 0.141 3109 H C 0.059 175.294 175.328 -0.156 0.000 1.436 3109 H CA -0.458 55.559 56.048 -0.052 0.000 1.052 3109 H CB 0.142 29.949 29.762 0.075 0.000 1.383 3109 H HN 0.434 nan 8.280 nan 0.000 0.422 3110 T N 1.379 115.924 114.554 -0.015 0.000 2.940 3110 T HA 0.087 4.437 4.350 0.000 0.000 0.309 3110 T C 0.085 174.699 174.700 -0.144 0.000 1.056 3110 T CA 0.521 62.530 62.100 -0.152 0.000 1.137 3110 T CB 0.315 69.053 68.868 -0.217 0.000 0.976 3110 T HN 0.418 nan 8.240 nan 0.000 0.547 3111 E N 1.779 121.898 120.200 -0.135 0.000 2.542 3111 E HA 0.440 4.790 4.350 0.000 0.000 0.298 3111 E C -0.868 175.671 176.600 -0.101 0.000 0.980 3111 E CA -0.493 55.829 56.400 -0.129 0.000 0.792 3111 E CB 1.036 30.669 29.700 -0.110 0.000 1.463 3111 E HN 0.584 nan 8.360 nan 0.000 0.389 3112 T N 1.164 115.629 114.554 -0.147 0.000 2.665 3112 T HA 0.469 4.819 4.350 0.000 0.000 0.303 3112 T C -0.991 173.552 174.700 -0.261 0.000 1.334 3112 T CA -0.159 61.847 62.100 -0.157 0.000 1.011 3112 T CB 1.009 69.840 68.868 -0.063 0.000 1.573 3112 T HN 0.458 nan 8.240 nan 0.000 0.492 3113 S N 0.011 115.473 115.700 -0.396 0.000 2.617 3113 S HA 0.486 4.956 4.470 0.000 0.000 0.269 3113 S C 1.637 175.942 174.600 -0.492 0.000 1.292 3113 S CA 0.046 57.939 58.200 -0.512 0.000 1.010 3113 S CB 0.878 63.515 63.200 -0.939 0.000 0.944 3113 S HN 1.079 nan 8.310 nan 0.000 0.536 3114 G N 1.209 109.797 108.800 -0.353 0.000 2.440 3114 G HA2 -0.186 3.774 3.960 0.000 0.000 0.218 3114 G HA3 -0.186 3.774 3.960 0.000 0.000 0.218 3114 G C 1.326 176.208 174.900 -0.029 0.000 1.154 3114 G CA 0.805 45.764 45.100 -0.235 0.000 0.767 3114 G HN 0.960 nan 8.290 nan 0.000 0.552 3115 W N 0.205 121.462 121.300 -0.071 0.000 2.363 3115 W HA -0.049 4.611 4.660 0.000 0.000 0.296 3115 W C 1.801 178.015 176.519 -0.509 0.000 1.212 3115 W CA 0.888 57.996 57.345 -0.395 0.000 1.260 3115 W CB -1.088 28.101 29.460 -0.452 0.000 1.131 3115 W HN 0.425 nan 8.180 nan 0.000 0.530 3116 H N 1.167 119.806 119.070 -0.717 0.000 2.357 3116 H HA -0.173 4.383 4.556 0.000 0.000 0.301 3116 H C 2.360 177.558 175.328 -0.217 0.000 1.082 3116 H CA 1.743 57.519 56.048 -0.452 0.000 1.342 3116 H CB -0.069 29.226 29.762 -0.778 0.000 1.389 3116 H HN 0.118 nan 8.280 nan 0.000 0.511 3117 L N 0.962 121.951 121.223 -0.391 0.000 2.042 3117 L HA -0.195 4.145 4.340 0.000 0.000 0.210 3117 L C 2.555 179.322 176.870 -0.172 0.000 1.076 3117 L CA 2.368 57.017 54.840 -0.318 0.000 0.749 3117 L CB -1.067 40.870 42.059 -0.203 0.000 0.893 3117 L HN 0.358 nan 8.230 nan 0.000 0.432 3118 H N -1.006 117.978 119.070 -0.144 0.000 2.353 3118 H HA -0.188 4.368 4.556 0.000 0.000 0.300 3118 H C 1.914 177.215 175.328 -0.046 0.000 1.090 3118 H CA 2.229 58.186 56.048 -0.151 0.000 1.327 3118 H CB -0.563 29.081 29.762 -0.197 0.000 1.383 3118 H HN 0.470 nan 8.280 nan 0.000 0.508 3119 F N -0.767 119.064 119.950 -0.198 0.000 2.216 3119 F HA -0.156 4.371 4.527 0.000 0.000 0.300 3119 F C 2.523 178.250 175.800 -0.121 0.000 1.085 3119 F CA 0.549 58.479 58.000 -0.116 0.000 1.326 3119 F CB -0.032 38.942 39.000 -0.043 0.000 1.027 3119 F HN 0.084 nan 8.300 nan 0.000 0.497 3120 V N 0.262 120.165 119.914 -0.018 0.000 2.453 3120 V HA -0.285 3.835 4.120 0.000 0.000 0.247 3120 V C 1.644 177.678 176.094 -0.100 0.000 1.048 3120 V CA 1.962 64.236 62.300 -0.044 0.000 1.049 3120 V CB -0.780 30.956 31.823 -0.145 0.000 0.672 3120 V HN 0.376 nan 8.190 nan 0.000 0.457 3121 N N -0.267 118.282 118.700 -0.252 0.000 2.104 3121 N HA -0.188 4.552 4.740 0.000 0.000 0.190 3121 N C 1.833 177.201 175.510 -0.236 0.000 1.024 3121 N CA 1.815 54.590 53.050 -0.459 0.000 0.853 3121 N CB -0.212 37.571 38.487 -1.173 0.000 1.008 3121 N HN 0.414 nan 8.380 nan 0.000 0.424 3122 T N 0.565 115.016 114.554 -0.171 0.000 2.708 3122 T HA -0.090 4.260 4.350 0.000 0.000 0.266 3122 T C 2.062 176.734 174.700 -0.047 0.000 1.037 3122 T CA 1.188 63.266 62.100 -0.037 0.000 1.146 3122 T CB -0.326 68.501 68.868 -0.069 0.000 0.865 3122 T HN 0.332 nan 8.240 nan 0.000 0.435 3123 A N 1.916 124.715 122.820 -0.035 0.000 1.908 3123 A HA -0.146 4.174 4.320 0.000 0.000 0.218 3123 A C 2.264 179.841 177.584 -0.012 0.000 1.181 3123 A CA 1.367 53.348 52.037 -0.092 0.000 0.627 3123 A CB -0.324 18.564 19.000 -0.187 0.000 0.818 3123 A HN 0.303 nan 8.150 nan 0.000 0.445 3124 K N -0.586 119.811 120.400 -0.005 0.000 2.217 3124 K HA -0.138 4.182 4.320 0.000 0.000 0.202 3124 K C 2.120 178.704 176.600 -0.027 0.000 1.051 3124 K CA 1.407 57.680 56.287 -0.023 0.000 0.952 3124 K CB -0.200 32.259 32.500 -0.068 0.000 0.736 3124 K HN 0.772 nan 8.250 nan 0.000 0.453 3125 Q N -0.005 119.797 119.800 0.004 0.000 2.187 3125 Q HA -0.068 4.272 4.340 0.000 0.000 0.199 3125 Q C 0.675 176.663 176.000 -0.019 0.000 0.957 3125 Q CA 1.297 57.109 55.803 0.014 0.000 0.857 3125 Q CB 0.270 29.070 28.738 0.103 0.000 0.929 3125 Q HN 0.421 nan 8.270 nan 0.000 0.453 3126 G N -0.561 108.222 108.800 -0.029 0.000 2.141 3126 G HA2 -0.150 3.810 3.960 0.000 0.000 0.231 3126 G HA3 -0.150 3.810 3.960 0.000 0.000 0.231 3126 G C -0.057 174.802 174.900 -0.068 0.000 0.984 3126 G CA 0.173 45.247 45.100 -0.043 0.000 0.660 3126 G HN 0.840 nan 8.290 nan 0.000 0.525 3127 A N -1.278 121.499 122.820 -0.072 0.000 2.586 3127 A HA 0.789 5.109 4.320 0.000 0.000 0.291 3127 A C -3.157 174.394 177.584 -0.056 0.000 1.062 3127 A CA -0.744 51.242 52.037 -0.084 0.000 0.666 3127 A CB 0.712 19.672 19.000 -0.066 0.000 1.281 3127 A HN 0.156 nan 8.150 nan 0.000 0.421 3128 P HA 0.131 nan 4.420 nan 0.000 0.258 3128 P C -0.350 177.014 177.300 0.107 0.000 1.172 3128 P CA 0.517 63.633 63.100 0.026 0.000 0.762 3128 P CB -0.145 31.571 31.700 0.027 0.000 0.764 3129 F N 5.764 125.720 119.950 0.011 0.000 2.580 3129 F HA -0.069 4.458 4.527 0.000 0.000 0.398 3129 F C 1.172 176.993 175.800 0.036 0.000 1.023 3129 F CA 0.375 58.390 58.000 0.025 0.000 1.188 3129 F CB -0.426 38.613 39.000 0.066 0.000 1.005 3129 F HN 0.274 nan 8.300 nan 0.000 0.546 3130 L N 3.575 124.440 121.223 -0.595 0.000 3.976 3130 L HA -0.328 4.012 4.340 0.000 0.000 0.418 3130 L C 0.657 177.377 176.870 -0.250 0.000 1.177 3130 L CA 0.549 55.055 54.840 -0.556 0.000 0.968 3130 L CB -2.381 39.196 42.059 -0.803 0.000 1.933 3130 L HN 0.726 nan 8.230 nan 0.000 0.976 3131 S N -1.840 113.778 115.700 -0.137 0.000 2.645 3131 S HA 0.514 4.984 4.470 0.000 0.000 0.266 3131 S C 0.325 174.877 174.600 -0.080 0.000 1.258 3131 S CA -0.049 58.109 58.200 -0.070 0.000 0.990 3131 S CB 2.183 65.368 63.200 -0.025 0.000 0.967 3131 S HN 0.273 nan 8.310 nan 0.000 0.556 3132 S N 1.442 117.111 115.700 -0.051 0.000 2.474 3132 S HA 0.405 4.875 4.470 0.000 0.000 0.321 3132 S C -0.356 174.223 174.600 -0.035 0.000 1.080 3132 S CA -0.831 57.343 58.200 -0.045 0.000 1.106 3132 S CB 0.002 63.187 63.200 -0.024 0.000 0.984 3132 S HN 0.774 nan 8.310 nan 0.000 0.464 3133 M N 5.887 125.459 119.600 -0.047 0.000 2.238 3133 M HA 0.369 4.849 4.480 0.000 0.000 0.347 3133 M C -1.063 175.218 176.300 -0.032 0.000 1.173 3133 M CA -0.254 55.020 55.300 -0.044 0.000 1.147 3133 M CB 0.638 33.202 32.600 -0.061 0.000 1.547 3133 M HN 0.423 nan 8.290 nan 0.000 0.455 3134 V N 4.724 124.624 119.914 -0.023 0.000 2.498 3134 V HA 0.468 4.588 4.120 0.000 0.000 0.279 3134 V C 0.442 176.525 176.094 -0.017 0.000 1.048 3134 V CA -0.219 62.074 62.300 -0.011 0.000 0.967 3134 V CB 0.996 32.816 31.823 -0.004 0.000 0.988 3134 V HN 1.023 nan 8.190 nan 0.000 0.473 3135 T N -0.086 114.462 114.554 -0.011 0.000 2.838 3135 T HA 0.353 4.703 4.350 0.000 0.000 0.292 3135 T C 0.271 174.972 174.700 0.003 0.000 1.113 3135 T CA -0.261 61.829 62.100 -0.016 0.000 1.008 3135 T CB 1.908 70.752 68.868 -0.041 0.000 1.259 3135 T HN 0.619 nan 8.240 nan 0.000 0.520 3136 D N -0.132 120.269 120.400 0.002 0.000 2.328 3136 D HA 0.084 4.724 4.640 0.000 0.000 0.226 3136 D C 0.652 176.968 176.300 0.026 0.000 1.066 3136 D CA -0.193 53.814 54.000 0.011 0.000 0.861 3136 D CB -0.355 40.448 40.800 0.005 0.000 0.912 3136 D HN 0.388 nan 8.370 nan 0.000 0.521 3137 S N 1.818 117.543 115.700 0.041 0.000 2.525 3137 S HA 0.092 4.562 4.470 0.000 0.000 0.285 3137 S C -1.045 173.609 174.600 0.090 0.000 1.283 3137 S CA -0.925 57.325 58.200 0.082 0.000 1.072 3137 S CB 0.999 64.290 63.200 0.151 0.000 0.867 3137 S HN 0.098 nan 8.310 nan 0.000 0.492 3138 P HA 0.081 nan 4.420 nan 0.000 0.227 3138 P C 0.122 177.440 177.300 0.030 0.000 1.161 3138 P CA 0.269 63.394 63.100 0.040 0.000 0.788 3138 P CB -0.017 31.698 31.700 0.025 0.000 0.822 3139 I N 1.175 121.777 120.570 0.054 0.000 2.648 3139 I HA -0.021 4.149 4.170 0.000 0.000 0.284 3139 I C 1.331 177.394 176.117 -0.089 0.000 1.153 3139 I CA 0.274 61.547 61.300 -0.046 0.000 1.426 3139 I CB 0.234 38.204 38.000 -0.050 0.000 1.381 3139 I HN -0.272 nan 8.210 nan 0.000 0.571 3140 K N 6.666 126.960 120.400 -0.177 0.000 3.000 3140 K HA 0.097 4.417 4.320 0.000 0.000 0.265 3140 K C -0.732 175.775 176.600 -0.154 0.000 1.260 3140 K CA -0.018 56.195 56.287 -0.124 0.000 1.209 3140 K CB -0.524 31.922 32.500 -0.090 0.000 1.484 3140 K HN 0.388 nan 8.250 nan 0.000 0.283 3141 Y N 0.440 120.728 120.300 -0.019 0.000 2.281 3141 Y HA 0.319 4.869 4.550 0.000 0.000 0.337 3141 Y C 1.545 177.431 175.900 -0.023 0.000 1.304 3141 Y CA 0.584 58.670 58.100 -0.024 0.000 1.465 3141 Y CB 0.935 39.379 38.460 -0.027 0.000 1.350 3141 Y HN 0.470 nan 8.280 nan 0.000 0.575 3142 G N 0.157 109.051 108.800 0.157 0.000 2.302 3142 G HA2 -0.070 3.890 3.960 0.000 0.000 0.264 3142 G HA3 -0.070 3.890 3.960 0.000 0.000 0.264 3142 G C -1.768 173.156 174.900 0.039 0.000 1.335 3142 G CA -0.866 44.278 45.100 0.074 0.000 0.982 3142 G HN 0.540 nan 8.290 nan 0.000 0.473 3143 D N 0.502 120.915 120.400 0.022 0.000 2.470 3143 D HA 0.436 5.076 4.640 0.000 0.000 0.226 3143 D C 1.355 177.662 176.300 0.011 0.000 1.196 3143 D CA 0.194 54.201 54.000 0.012 0.000 0.979 3143 D CB 0.736 41.544 40.800 0.012 0.000 1.059 3143 D HN 0.267 nan 8.370 nan 0.000 0.515 3144 V N 3.143 123.062 119.914 0.008 0.000 2.672 3144 V HA -0.023 4.097 4.120 0.000 0.000 0.242 3144 V C 1.877 177.973 176.094 0.003 0.000 1.059 3144 V CA 0.716 63.018 62.300 0.002 0.000 1.081 3144 V CB -0.093 31.727 31.823 -0.005 0.000 0.752 3144 V HN 0.556 nan 8.190 nan 0.000 0.472 3145 M N -0.420 119.181 119.600 0.001 0.000 2.371 3145 M HA 0.286 4.766 4.480 0.000 0.000 0.246 3145 M C 0.382 176.696 176.300 0.022 0.000 1.103 3145 M CA 0.106 55.410 55.300 0.007 0.000 1.010 3145 M CB -0.650 31.946 32.600 -0.007 0.000 1.457 3145 M HN 0.379 nan 8.290 nan 0.000 0.486 3146 N N 1.201 119.913 118.700 0.021 0.000 2.705 3146 N HA -0.142 4.598 4.740 0.000 0.000 0.255 3146 N C 1.008 176.556 175.510 0.064 0.000 1.008 3146 N CA 0.251 53.324 53.050 0.037 0.000 0.742 3146 N CB -1.123 37.391 38.487 0.045 0.000 0.906 3146 N HN 0.148 nan 8.380 nan 0.000 0.541 3147 V N -0.220 119.715 119.914 0.035 0.000 2.261 3147 V HA -0.105 4.015 4.120 0.000 0.000 0.246 3147 V C 1.405 177.601 176.094 0.170 0.000 1.047 3147 V CA 1.566 63.900 62.300 0.056 0.000 1.015 3147 V CB 0.026 31.764 31.823 -0.140 0.000 0.642 3147 V HN 0.404 nan 8.190 nan 0.000 0.446 3148 I N 0.407 121.026 120.570 0.081 0.000 2.447 3148 I HA 0.504 4.674 4.170 0.000 0.000 0.287 3148 I C -1.140 175.011 176.117 0.056 0.000 1.023 3148 I CA -0.318 61.039 61.300 0.095 0.000 1.083 3148 I CB 1.796 39.831 38.000 0.060 0.000 1.245 3148 I HN 0.257 nan 8.210 nan 0.000 0.434 3149 D N 5.464 125.901 120.400 0.062 0.000 2.717 3149 D HA 0.786 5.426 4.640 0.000 0.000 0.223 3149 D C -1.670 174.671 176.300 0.068 0.000 1.240 3149 D CA -0.310 53.723 54.000 0.056 0.000 0.801 3149 D CB 2.256 43.092 40.800 0.059 0.000 1.556 3149 D HN 0.698 nan 8.370 nan 0.000 0.462 3150 A N 2.436 125.299 122.820 0.072 0.000 2.532 3150 A HA 0.642 4.962 4.320 0.000 0.000 0.296 3150 A C -2.819 174.842 177.584 0.128 0.000 1.058 3150 A CA -1.153 50.951 52.037 0.112 0.000 0.729 3150 A CB 1.411 20.461 19.000 0.083 0.000 1.285 3150 A HN 0.438 nan 8.150 nan 0.000 0.396 3151 P HA 0.276 nan 4.420 nan 0.000 0.268 3151 P C 0.991 178.413 177.300 0.204 0.000 1.204 3151 P CA 0.511 63.703 63.100 0.153 0.000 0.768 3151 P CB 1.226 32.999 31.700 0.121 0.000 0.842 3152 A N 3.492 126.391 122.820 0.131 0.000 1.978 3152 A HA -0.032 4.288 4.320 0.000 0.000 0.220 3152 A C 1.117 178.815 177.584 0.189 0.000 1.170 3152 A CA 1.893 54.003 52.037 0.120 0.000 0.636 3152 A CB -0.927 18.115 19.000 0.071 0.000 0.810 3152 A HN 0.741 nan 8.150 nan 0.000 0.448 3153 T N -3.751 110.908 114.554 0.175 0.000 2.883 3153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 3153 T C -0.864 173.858 174.700 0.037 0.000 1.158 3153 T CA -0.627 61.560 62.100 0.145 0.000 1.007 3153 T CB 1.505 70.412 68.868 0.066 0.000 1.186 3153 T HN 0.174 nan 8.240 nan 0.000 0.499 3154 I N 1.767 122.281 120.570 -0.093 0.000 2.439 3154 I HA 0.567 4.737 4.170 0.000 0.000 0.283 3154 I C 0.639 176.673 176.117 -0.138 0.000 1.023 3154 I CA -1.125 60.062 61.300 -0.187 0.000 1.100 3154 I CB 1.409 39.160 38.000 -0.415 0.000 1.238 3154 I HN 1.025 nan 8.210 nan 0.000 0.445 3155 A N 4.694 127.463 122.820 -0.085 0.000 2.346 3155 A HA 0.698 5.018 4.320 0.000 0.000 0.252 3155 A C 0.658 178.201 177.584 -0.067 0.000 1.089 3155 A CA -0.247 51.753 52.037 -0.061 0.000 0.797 3155 A CB 0.437 19.415 19.000 -0.036 0.000 1.047 3155 A HN 0.838 nan 8.150 nan 0.000 0.494 3156 A N -0.053 122.743 122.820 -0.040 0.000 2.566 3156 A HA 0.457 4.777 4.320 0.000 0.000 0.245 3156 A C 1.621 179.187 177.584 -0.030 0.000 1.056 3156 A CA 0.926 52.953 52.037 -0.016 0.000 0.757 3156 A CB -1.020 18.000 19.000 0.034 0.000 0.979 3156 A HN 2.755 nan 8.150 nan 0.000 0.508 3157 G N 0.707 109.481 108.800 -0.043 0.000 2.176 3157 G HA2 0.149 4.109 3.960 0.000 0.000 0.253 3157 G HA3 0.149 4.109 3.960 0.000 0.000 0.253 3157 G C 0.520 175.387 174.900 -0.054 0.000 0.979 3157 G CA 0.611 45.684 45.100 -0.046 0.000 0.641 3157 G HN 2.196 nan 8.290 nan 0.000 0.530 3158 A N -0.580 122.199 122.820 -0.069 0.000 2.281 3158 A HA 0.881 5.201 4.320 0.000 0.000 0.329 3158 A C 0.176 177.705 177.584 -0.092 0.000 1.122 3158 A CA 0.537 52.532 52.037 -0.070 0.000 0.850 3158 A CB 1.228 20.189 19.000 -0.066 0.000 1.207 3158 A HN 0.702 nan 8.150 nan 0.000 0.495 3159 T N 0.569 115.080 114.554 -0.072 0.000 2.812 3159 T HA 0.625 4.975 4.350 0.000 0.000 0.282 3159 T C 0.157 174.824 174.700 -0.056 0.000 0.990 3159 T CA 0.021 62.079 62.100 -0.071 0.000 0.960 3159 T CB 1.534 70.376 68.868 -0.043 0.000 0.948 3159 T HN 1.054 nan 8.240 nan 0.000 0.438 3160 G N 1.860 110.620 108.800 -0.066 0.000 2.432 3160 G HA2 0.660 4.620 3.960 0.000 0.000 0.331 3160 G HA3 0.660 4.620 3.960 0.000 0.000 0.331 3160 G C -0.972 173.944 174.900 0.027 0.000 1.170 3160 G CA -0.607 44.480 45.100 -0.021 0.000 0.943 3160 G HN 0.490 nan 8.290 nan 0.000 0.483 3161 E N 0.667 120.898 120.200 0.052 0.000 2.183 3161 E HA 0.487 4.837 4.350 0.000 0.000 0.271 3161 E C -0.444 176.215 176.600 0.097 0.000 0.919 3161 E CA -0.421 56.020 56.400 0.067 0.000 0.781 3161 E CB 2.451 32.179 29.700 0.047 0.000 1.140 3161 E HN 0.306 nan 8.360 nan 0.000 0.402 3162 L N 0.871 122.162 121.223 0.114 0.000 2.354 3162 L HA 0.654 4.994 4.340 0.000 0.000 0.264 3162 L C -0.119 176.809 176.870 0.097 0.000 1.008 3162 L CA -0.887 54.027 54.840 0.123 0.000 0.819 3162 L CB 2.141 44.303 42.059 0.171 0.000 1.339 3162 L HN 0.333 nan 8.230 nan 0.000 0.420 3163 T N 2.156 116.763 114.554 0.087 0.000 2.916 3163 T HA 0.702 5.052 4.350 0.000 0.000 0.298 3163 T C -0.856 173.885 174.700 0.069 0.000 1.031 3163 T CA -0.438 61.707 62.100 0.074 0.000 0.993 3163 T CB 2.280 71.212 68.868 0.107 0.000 1.045 3163 T HN 0.504 nan 8.240 nan 0.000 0.454 3164 M N 2.936 122.545 119.600 0.016 0.000 2.484 3164 M HA 0.671 5.151 4.480 0.000 0.000 0.289 3164 M C -2.434 173.807 176.300 -0.098 0.000 1.206 3164 M CA -0.711 54.575 55.300 -0.024 0.000 0.892 3164 M CB 1.762 34.323 32.600 -0.064 0.000 1.712 3164 M HN 0.631 nan 8.290 nan 0.000 0.462 3165 Y N 2.581 122.840 120.300 -0.068 0.000 2.462 3165 Y HA 0.704 5.254 4.550 0.000 0.000 0.346 3165 Y C -1.565 174.369 175.900 0.058 0.000 0.976 3165 Y CA -0.329 57.840 58.100 0.116 0.000 1.044 3165 Y CB 2.088 40.670 38.460 0.204 0.000 1.230 3165 Y HN 0.621 nan 8.280 nan 0.000 0.455 3166 Y N 1.432 122.016 120.300 0.473 0.000 2.477 3166 Y HA 0.269 4.819 4.550 0.000 0.000 0.347 3166 Y C -0.945 175.173 175.900 0.363 0.000 0.981 3166 Y CA -1.521 56.760 58.100 0.302 0.000 1.033 3166 Y CB 1.937 40.456 38.460 0.098 0.000 1.245 3166 Y HN 0.646 nan 8.280 nan 0.000 0.455 3167 W N 5.225 126.613 121.300 0.148 0.000 2.329 3167 W HA 0.657 5.317 4.660 0.000 0.000 0.312 3167 W C -1.858 174.685 176.519 0.040 0.000 1.054 3167 W CA -1.017 56.404 57.345 0.126 0.000 1.245 3167 W CB 1.409 30.900 29.460 0.053 0.000 1.255 3167 W HN 0.306 nan 8.180 nan 0.000 0.436 3168 V N 9.460 129.096 119.914 -0.464 0.000 2.334 3168 V HA 0.184 4.304 4.120 0.000 0.000 0.267 3168 V C -1.590 174.004 176.094 -0.834 0.000 1.040 3168 V CA -1.552 60.474 62.300 -0.457 0.000 0.866 3168 V CB 0.881 32.567 31.823 -0.229 0.000 1.019 3168 V HN 0.367 nan 8.190 nan 0.000 0.468 3169 P HA 0.392 nan 4.420 nan 0.000 0.282 3169 P C 0.046 177.217 177.300 -0.216 0.000 1.249 3169 P CA -0.297 62.596 63.100 -0.346 0.000 0.806 3169 P CB 2.505 34.325 31.700 0.201 0.000 0.984 3170 L N 1.252 122.401 121.223 -0.124 0.000 2.675 3170 L HA 0.327 4.667 4.340 0.000 0.000 0.178 3170 L C 1.363 178.360 176.870 0.212 0.000 1.135 3170 L CA 0.095 54.889 54.840 -0.076 0.000 0.855 3170 L CB -0.782 41.106 42.059 -0.284 0.000 1.235 3170 L HN 0.323 nan 8.230 nan 0.000 0.499 3171 A N -0.917 122.001 122.820 0.163 0.000 2.407 3171 A HA -0.007 4.313 4.320 0.000 0.000 0.248 3171 A C 0.512 178.264 177.584 0.280 0.000 1.082 3171 A CA 0.018 52.175 52.037 0.201 0.000 0.785 3171 A CB -0.004 19.076 19.000 0.133 0.000 1.020 3171 A HN 0.357 nan 8.150 nan 0.000 0.489 3172 Y N 2.223 122.526 120.300 0.005 0.000 2.181 3172 Y HA -0.010 4.540 4.550 0.000 0.000 0.288 3172 Y C 1.264 177.135 175.900 -0.049 0.000 1.146 3172 Y CA 1.717 59.656 58.100 -0.267 0.000 1.164 3172 Y CB 0.011 38.332 38.460 -0.232 0.000 0.982 3172 Y HN 0.883 nan 8.280 nan 0.000 0.515 3173 S N -2.427 113.251 115.700 -0.035 0.000 2.757 3173 S HA 0.263 4.733 4.470 0.000 0.000 0.285 3173 S C 0.368 174.952 174.600 -0.026 0.000 1.196 3173 S CA -0.626 57.508 58.200 -0.111 0.000 0.856 3173 S CB 1.065 64.175 63.200 -0.150 0.000 1.212 3173 S HN 0.076 nan 8.310 nan 0.000 0.516 3174 E N 1.073 121.227 120.200 -0.076 0.000 2.268 3174 E HA -0.017 4.333 4.350 0.000 0.000 0.195 3174 E C 1.715 178.291 176.600 -0.041 0.000 0.995 3174 E CA 1.901 58.258 56.400 -0.071 0.000 0.836 3174 E CB -0.364 29.265 29.700 -0.119 0.000 0.763 3174 E HN 0.847 nan 8.360 nan 0.000 0.491 3175 T N -2.445 112.097 114.554 -0.020 0.000 2.971 3175 T HA 0.051 4.401 4.350 0.000 0.000 0.252 3175 T C 0.475 175.187 174.700 0.020 0.000 1.022 3175 T CA -0.292 61.805 62.100 -0.006 0.000 0.980 3175 T CB 0.425 69.289 68.868 -0.007 0.000 1.044 3175 T HN -0.201 nan 8.240 nan 0.000 0.501 3176 D N 1.218 121.652 120.400 0.057 0.000 2.441 3176 D HA 0.308 4.948 4.640 0.000 0.000 0.231 3176 D C 0.618 176.960 176.300 0.070 0.000 1.073 3176 D CA -0.718 53.329 54.000 0.078 0.000 0.850 3176 D CB 0.952 41.863 40.800 0.185 0.000 1.062 3176 D HN 0.210 nan 8.370 nan 0.000 0.524 3177 L N 2.586 123.822 121.223 0.021 0.000 2.645 3177 L HA 0.083 4.423 4.340 0.000 0.000 0.235 3177 L C 0.757 177.625 176.870 -0.004 0.000 1.150 3177 L CA 0.171 55.023 54.840 0.019 0.000 0.911 3177 L CB -0.375 41.687 42.059 0.004 0.000 1.077 3177 L HN 0.262 nan 8.230 nan 0.000 0.438 3178 T N 0.760 115.278 114.554 -0.061 0.000 2.871 3178 T HA 0.248 4.598 4.350 0.000 0.000 0.296 3178 T C 1.245 175.921 174.700 -0.041 0.000 0.998 3178 T CA 1.008 62.992 62.100 -0.195 0.000 1.162 3178 T CB 0.910 69.438 68.868 -0.566 0.000 0.947 3178 T HN 0.623 nan 8.240 nan 0.000 0.536 3179 G N 2.078 110.881 108.800 0.006 0.000 2.194 3179 G HA2 -0.092 3.868 3.960 0.000 0.000 0.236 3179 G HA3 -0.092 3.868 3.960 0.000 0.000 0.236 3179 G C 0.371 175.377 174.900 0.176 0.000 0.987 3179 G CA -0.042 45.165 45.100 0.177 0.000 0.635 3179 G HN 1.149 nan 8.290 nan 0.000 0.520 3180 A N -0.496 122.384 122.820 0.099 0.000 2.429 3180 A HA 0.646 4.966 4.320 0.000 0.000 0.242 3180 A C 0.408 178.036 177.584 0.073 0.000 1.088 3180 A CA 0.807 52.879 52.037 0.060 0.000 0.784 3180 A CB 0.836 19.858 19.000 0.037 0.000 1.038 3180 A HN 1.212 nan 8.150 nan 0.000 0.501 3181 V N 1.620 121.556 119.914 0.036 0.000 2.487 3181 V HA 0.322 4.442 4.120 0.000 0.000 0.298 3181 V C -0.566 175.562 176.094 0.056 0.000 1.028 3181 V CA -0.506 61.837 62.300 0.072 0.000 0.860 3181 V CB 1.403 33.271 31.823 0.075 0.000 0.991 3181 V HN 0.775 nan 8.190 nan 0.000 0.427 3182 L N 5.317 126.580 121.223 0.067 0.000 2.283 3182 L HA 0.715 5.055 4.340 0.000 0.000 0.287 3182 L C 0.486 177.391 176.870 0.059 0.000 1.073 3182 L CA 0.157 55.027 54.840 0.051 0.000 0.822 3182 L CB 0.768 42.863 42.059 0.059 0.000 1.186 3182 L HN 0.746 nan 8.230 nan 0.000 0.436 3183 A N 4.310 127.154 122.820 0.039 0.000 2.938 3183 A HA 0.494 4.814 4.320 0.000 0.000 0.344 3183 A C -0.064 177.532 177.584 0.021 0.000 1.142 3183 A CA -0.444 51.616 52.037 0.038 0.000 0.841 3183 A CB -0.626 18.397 19.000 0.039 0.000 1.083 3183 A HN 0.810 nan 8.150 nan 0.000 0.479 3184 N N -0.088 118.640 118.700 0.047 0.000 2.299 3184 N HA 0.183 4.923 4.740 0.000 0.000 0.246 3184 N C -0.991 174.555 175.510 0.061 0.000 1.254 3184 N CA -0.170 52.916 53.050 0.060 0.000 0.879 3184 N CB 0.583 39.139 38.487 0.116 0.000 1.214 3184 N HN 0.062 nan 8.380 nan 0.000 0.510 3185 V N 1.766 121.707 119.914 0.046 0.000 2.277 3185 V HA 0.424 4.544 4.120 0.000 0.000 0.269 3185 V C -2.162 173.947 176.094 0.025 0.000 1.036 3185 V CA -1.610 60.712 62.300 0.037 0.000 0.821 3185 V CB 0.807 32.652 31.823 0.037 0.000 1.052 3185 V HN 0.083 nan 8.190 nan 0.000 0.462 3186 P HA 0.327 nan 4.420 nan 0.000 0.266 3186 P C 0.631 177.936 177.300 0.009 0.000 1.195 3186 P CA 1.297 64.405 63.100 0.014 0.000 0.768 3186 P CB 0.515 32.224 31.700 0.014 0.000 0.838 3187 Q N -0.421 119.381 119.800 0.003 0.000 2.360 3187 Q HA -0.209 4.131 4.340 0.000 0.000 0.192 3187 Q C 0.451 176.448 176.000 -0.006 0.000 0.615 3187 Q CA 1.422 57.224 55.803 -0.002 0.000 1.355 3187 Q CB -2.736 26.002 28.738 -0.001 0.000 1.324 3187 Q HN 0.513 nan 8.270 nan 0.000 0.885 3188 S N 0.363 116.062 115.700 -0.002 0.000 2.653 3188 S HA 0.545 5.015 4.470 0.000 0.000 0.272 3188 S C -0.212 174.384 174.600 -0.007 0.000 1.221 3188 S CA 0.145 58.341 58.200 -0.005 0.000 1.149 3188 S CB 0.396 63.600 63.200 0.006 0.000 1.029 3188 S HN 0.830 nan 8.310 nan 0.000 0.481 3189 K N 3.354 123.740 120.400 -0.023 0.000 2.087 3189 K HA 0.515 4.835 4.320 0.000 0.000 0.255 3189 K C -0.217 176.353 176.600 -0.049 0.000 0.988 3189 K CA -0.855 55.417 56.287 -0.026 0.000 0.915 3189 K CB 0.915 33.395 32.500 -0.033 0.000 1.043 3189 K HN 0.465 nan 8.250 nan 0.000 0.457 3190 Q N 0.676 120.451 119.800 -0.042 0.000 2.185 3190 Q HA 0.395 4.735 4.340 0.000 0.000 0.225 3190 Q C -0.768 175.139 176.000 -0.155 0.000 0.983 3190 Q CA -0.825 54.911 55.803 -0.110 0.000 0.950 3190 Q CB 1.337 30.083 28.738 0.013 0.000 1.176 3190 Q HN 0.447 nan 8.270 nan 0.000 0.510 3191 R N 0.640 120.978 120.500 -0.270 0.000 2.533 3191 R HA 0.420 4.760 4.340 0.000 0.000 0.288 3191 R C -1.763 174.408 176.300 -0.215 0.000 1.039 3191 R CA -0.731 55.254 56.100 -0.193 0.000 0.909 3191 R CB 1.344 31.552 30.300 -0.153 0.000 1.195 3191 R HN 0.351 nan 8.270 nan 0.000 0.438 3192 L N 3.353 124.461 121.223 -0.192 0.000 2.324 3192 L HA 0.411 4.751 4.340 0.000 0.000 0.274 3192 L C -0.965 175.795 176.870 -0.184 0.000 1.012 3192 L CA -0.284 54.427 54.840 -0.215 0.000 0.859 3192 L CB 0.976 42.773 42.059 -0.438 0.000 1.224 3192 L HN 0.419 nan 8.230 nan 0.000 0.429 3193 K N 6.150 126.470 120.400 -0.133 0.000 2.227 3193 K HA 0.552 4.872 4.320 0.000 0.000 0.280 3193 K C -1.174 175.295 176.600 -0.218 0.000 1.041 3193 K CA -0.401 55.808 56.287 -0.130 0.000 0.905 3193 K CB 1.298 33.763 32.500 -0.059 0.000 1.068 3193 K HN 0.546 nan 8.250 nan 0.000 0.470 3194 L N 3.361 124.429 121.223 -0.258 0.000 2.325 3194 L HA 0.324 4.664 4.340 0.000 0.000 0.281 3194 L C -0.265 176.365 176.870 -0.400 0.000 1.004 3194 L CA -0.552 54.008 54.840 -0.467 0.000 0.823 3194 L CB 1.523 43.171 42.059 -0.685 0.000 1.236 3194 L HN 0.527 nan 8.230 nan 0.000 0.415 3195 E N 3.809 123.755 120.200 -0.424 0.000 2.114 3195 E HA 0.392 4.742 4.350 0.000 0.000 0.266 3195 E C -1.093 175.338 176.600 -0.282 0.000 0.896 3195 E CA -0.452 55.813 56.400 -0.224 0.000 0.750 3195 E CB 1.447 31.063 29.700 -0.140 0.000 1.121 3195 E HN 0.261 nan 8.360 nan 0.000 0.413 3196 F N 1.290 121.262 119.950 0.037 0.000 2.370 3196 F HA 0.412 4.939 4.527 0.000 0.000 0.319 3196 F C 1.100 176.924 175.800 0.040 0.000 1.129 3196 F CA -0.739 57.297 58.000 0.061 0.000 1.109 3196 F CB 0.681 39.796 39.000 0.193 0.000 1.262 3196 F HN 0.400 nan 8.300 nan 0.000 0.534 3197 A N 1.619 124.583 122.820 0.240 0.000 2.406 3197 A HA 0.447 4.767 4.320 0.000 0.000 0.243 3197 A C -0.308 177.327 177.584 0.085 0.000 1.082 3197 A CA -0.276 51.863 52.037 0.170 0.000 0.786 3197 A CB -0.061 19.094 19.000 0.259 0.000 1.029 3197 A HN 0.855 nan 8.150 nan 0.000 0.495 3198 N N -0.660 118.160 118.700 0.201 0.000 3.157 3198 N HA 0.237 4.977 4.740 0.000 0.000 0.291 3198 N C -0.069 175.695 175.510 0.424 0.000 1.515 3198 N CA -0.826 52.376 53.050 0.253 0.000 0.807 3198 N CB 0.107 38.707 38.487 0.189 0.000 1.672 3198 N HN 0.288 nan 8.380 nan 0.000 0.592 3199 N N -0.188 118.786 118.700 0.455 0.000 2.272 3199 N HA -0.093 4.647 4.740 0.000 0.000 0.185 3199 N C 0.449 176.144 175.510 0.309 0.000 1.014 3199 N CA 0.848 54.179 53.050 0.468 0.000 0.870 3199 N CB -0.495 38.249 38.487 0.428 0.000 0.975 3199 N HN 0.482 nan 8.380 nan 0.000 0.433 3200 N N -0.151 118.676 118.700 0.212 0.000 2.207 3200 N HA -0.072 4.668 4.740 0.000 0.000 0.182 3200 N C 1.888 177.462 175.510 0.107 0.000 1.020 3200 N CA 1.605 54.748 53.050 0.154 0.000 0.858 3200 N CB -0.567 37.995 38.487 0.125 0.000 0.991 3200 N HN 0.459 nan 8.380 nan 0.000 0.427 3201 T N -1.969 112.638 114.554 0.089 0.000 3.009 3201 T HA 0.253 4.603 4.350 0.000 0.000 0.258 3201 T C 1.908 176.588 174.700 -0.032 0.000 1.063 3201 T CA 0.737 62.871 62.100 0.055 0.000 1.139 3201 T CB -0.095 68.826 68.868 0.088 0.000 0.890 3201 T HN 0.101 nan 8.240 nan 0.000 0.471 3202 A N 0.629 123.338 122.820 -0.186 0.000 2.067 3202 A HA 0.414 4.734 4.320 0.000 0.000 0.217 3202 A C 0.424 177.565 177.584 -0.738 0.000 1.156 3202 A CA 0.056 51.767 52.037 -0.544 0.000 0.683 3202 A CB -0.482 17.985 19.000 -0.888 0.000 0.808 3202 A HN 0.589 nan 8.150 nan 0.000 0.455 3203 F N -0.504 119.497 119.950 0.086 0.000 2.477 3203 F HA 0.640 5.167 4.527 0.000 0.000 0.335 3203 F C 0.279 176.110 175.800 0.051 0.000 1.130 3203 F CA -0.757 57.279 58.000 0.060 0.000 0.948 3203 F CB 1.743 40.758 39.000 0.026 0.000 1.154 3203 F HN 0.073 nan 8.300 nan 0.000 0.439 3204 A N 2.334 125.267 122.820 0.188 0.000 2.318 3204 A HA 0.853 5.173 4.320 0.000 0.000 0.324 3204 A C -0.201 177.439 177.584 0.094 0.000 1.170 3204 A CA -0.605 51.498 52.037 0.109 0.000 0.810 3204 A CB 0.714 19.746 19.000 0.054 0.000 1.198 3204 A HN 0.907 nan 8.150 nan 0.000 0.484 3205 A N 1.649 124.512 122.820 0.071 0.000 2.346 3205 A HA 0.531 4.851 4.320 0.000 0.000 0.252 3205 A C 0.421 178.022 177.584 0.027 0.000 1.089 3205 A CA -0.290 51.773 52.037 0.044 0.000 0.797 3205 A CB -0.022 19.002 19.000 0.040 0.000 1.047 3205 A HN 1.194 nan 8.150 nan 0.000 0.494 3206 V N 1.034 120.954 119.914 0.010 0.000 2.694 3206 V HA 0.374 4.494 4.120 0.000 0.000 0.306 3206 V C 1.692 177.791 176.094 0.007 0.000 1.054 3206 V CA 1.835 64.137 62.300 0.004 0.000 1.161 3206 V CB 0.055 31.874 31.823 -0.007 0.000 0.916 3206 V HN 1.959 nan 8.190 nan 0.000 0.490 3207 G N 3.296 112.099 108.800 0.006 0.000 2.225 3207 G HA2 -0.149 3.811 3.960 0.000 0.000 0.254 3207 G HA3 -0.149 3.811 3.960 0.000 0.000 0.254 3207 G C 0.433 175.338 174.900 0.008 0.000 0.988 3207 G CA 0.307 45.409 45.100 0.003 0.000 0.625 3207 G HN 1.506 nan 8.290 nan 0.000 0.527 3208 A N -0.156 122.674 122.820 0.017 0.000 2.271 3208 A HA 0.644 4.964 4.320 0.000 0.000 0.288 3208 A C 0.518 178.118 177.584 0.027 0.000 1.094 3208 A CA 0.152 52.202 52.037 0.023 0.000 0.828 3208 A CB 0.368 19.389 19.000 0.034 0.000 1.091 3208 A HN 0.540 nan 8.150 nan 0.000 0.493 3209 N N 1.187 119.907 118.700 0.033 0.000 2.431 3209 N HA 0.139 4.879 4.740 0.000 0.000 0.265 3209 N C -1.695 173.836 175.510 0.035 0.000 1.184 3209 N CA -1.435 51.649 53.050 0.057 0.000 0.943 3209 N CB 0.984 39.506 38.487 0.058 0.000 1.080 3209 N HN 0.351 nan 8.380 nan 0.000 0.477 3210 P HA -0.024 nan 4.420 nan 0.000 0.255 3210 P C 1.531 178.653 177.300 -0.296 0.000 1.248 3210 P CA -0.115 62.911 63.100 -0.124 0.000 0.807 3210 P CB 0.461 32.063 31.700 -0.164 0.000 1.150 3211 L N 1.421 122.491 121.223 -0.255 0.000 2.010 3211 L HA -0.192 4.148 4.340 0.000 0.000 0.219 3211 L C 1.761 178.442 176.870 -0.315 0.000 1.077 3211 L CA 2.204 56.785 54.840 -0.431 0.000 0.773 3211 L CB -0.880 41.147 42.059 -0.053 0.000 0.892 3211 L HN -0.119 nan 8.230 nan 0.000 0.436 3212 E N -0.203 119.959 120.200 -0.063 0.000 2.474 3212 E HA 0.313 4.663 4.350 0.000 0.000 0.195 3212 E C 0.642 177.269 176.600 0.044 0.000 1.039 3212 E CA 0.584 57.033 56.400 0.081 0.000 0.881 3212 E CB -0.003 29.777 29.700 0.133 0.000 0.970 3212 E HN 0.565 nan 8.360 nan 0.000 0.486 3213 A N 0.685 123.480 122.820 -0.042 0.000 2.271 3213 A HA 0.482 4.802 4.320 0.000 0.000 0.288 3213 A C 1.115 178.654 177.584 -0.074 0.000 1.094 3213 A CA -0.394 51.610 52.037 -0.055 0.000 0.828 3213 A CB 0.483 19.455 19.000 -0.046 0.000 1.091 3213 A HN 0.052 nan 8.150 nan 0.000 0.493 3214 I N -1.343 119.170 120.570 -0.096 0.000 2.810 3214 I HA 0.117 4.287 4.170 0.000 0.000 0.262 3214 I C -0.382 175.538 176.117 -0.330 0.000 1.131 3214 I CA 0.669 61.874 61.300 -0.157 0.000 1.453 3214 I CB 0.009 37.965 38.000 -0.072 0.000 1.161 3214 I HN 0.592 nan 8.210 nan 0.000 0.444 3215 Y N 0.357 120.678 120.300 0.035 0.000 2.512 3215 Y HA 0.554 5.104 4.550 0.000 0.000 0.348 3215 Y C -0.278 175.684 175.900 0.103 0.000 0.990 3215 Y CA -0.736 57.425 58.100 0.103 0.000 1.033 3215 Y CB 1.789 40.373 38.460 0.206 0.000 1.259 3215 Y HN -0.069 nan 8.280 nan 0.000 0.461 3216 Q N 1.561 121.484 119.800 0.205 0.000 2.359 3216 Q HA 0.768 5.108 4.340 0.000 0.000 0.274 3216 Q C -1.019 175.035 176.000 0.091 0.000 1.074 3216 Q CA -0.656 55.218 55.803 0.119 0.000 0.810 3216 Q CB 2.588 31.351 28.738 0.041 0.000 1.342 3216 Q HN 0.965 nan 8.270 nan 0.000 0.427 3217 G N 0.448 109.277 108.800 0.048 0.000 2.321 3217 G HA2 0.376 4.336 3.960 0.000 0.000 0.298 3217 G HA3 0.376 4.336 3.960 0.000 0.000 0.298 3217 G C -0.367 174.498 174.900 -0.059 0.000 1.385 3217 G CA -0.140 44.957 45.100 -0.004 0.000 0.856 3217 G HN 0.682 nan 8.290 nan 0.000 0.584 3218 A N -0.842 121.912 122.820 -0.111 0.000 2.178 3218 A HA 0.352 4.672 4.320 0.000 0.000 0.218 3218 A C 2.159 179.503 177.584 -0.399 0.000 1.157 3218 A CA 2.531 54.455 52.037 -0.189 0.000 0.689 3218 A CB -0.362 18.532 19.000 -0.176 0.000 0.787 3218 A HN 1.923 nan 8.150 nan 0.000 0.465 3219 G N -1.730 106.847 108.800 -0.373 0.000 3.126 3219 G HA2 0.334 4.294 3.960 0.000 0.000 0.224 3219 G HA3 0.334 4.294 3.960 0.000 0.000 0.224 3219 G C 1.319 176.118 174.900 -0.168 0.000 1.142 3219 G CA 0.843 45.670 45.100 -0.456 0.000 0.759 3219 G HN 0.585 nan 8.290 nan 0.000 0.550 3220 A N 1.595 124.352 122.820 -0.104 0.000 1.903 3220 A HA 0.042 4.362 4.320 0.000 0.000 0.219 3220 A C 2.778 180.346 177.584 -0.026 0.000 1.191 3220 A CA 2.407 54.425 52.037 -0.032 0.000 0.638 3220 A CB -0.825 18.219 19.000 0.073 0.000 0.823 3220 A HN 0.855 nan 8.150 nan 0.000 0.451 3221 A N -0.816 122.021 122.820 0.029 0.000 2.032 3221 A HA -0.174 4.146 4.320 0.000 0.000 0.221 3221 A C 1.415 179.007 177.584 0.012 0.000 1.165 3221 A CA 1.818 53.885 52.037 0.051 0.000 0.645 3221 A CB -0.372 18.674 19.000 0.077 0.000 0.807 3221 A HN 0.504 nan 8.150 nan 0.000 0.453 3222 D N -1.206 119.192 120.400 -0.003 0.000 2.388 3222 D HA 0.183 4.823 4.640 0.000 0.000 0.221 3222 D C -0.422 175.763 176.300 -0.192 0.000 1.133 3222 D CA -0.020 53.948 54.000 -0.055 0.000 0.831 3222 D CB -0.093 40.705 40.800 -0.004 0.000 0.962 3222 D HN 0.284 nan 8.370 nan 0.000 0.502 3223 C N 1.163 120.229 119.300 -0.390 0.000 2.401 3223 C HA 0.459 4.919 4.460 0.000 0.000 0.365 3223 C C 0.601 175.162 174.990 -0.715 0.000 1.250 3223 C CA -0.472 58.066 59.018 -0.799 0.000 2.131 3223 C CB 0.785 27.550 27.740 -1.625 0.000 2.445 3223 C HN 0.205 nan 8.230 nan 0.000 0.550 3224 E N 0.661 120.563 120.200 -0.498 0.000 2.343 3224 E HA 0.362 4.712 4.350 0.000 0.000 0.278 3224 E C -1.374 175.245 176.600 0.032 0.000 0.910 3224 E CA -0.484 55.869 56.400 -0.077 0.000 0.757 3224 E CB 1.563 31.264 29.700 0.003 0.000 1.218 3224 E HN 0.486 nan 8.360 nan 0.000 0.435 3225 F N 1.761 121.861 119.950 0.250 0.000 2.459 3225 F HA 0.054 4.581 4.527 0.000 0.000 0.346 3225 F C 1.812 177.649 175.800 0.063 0.000 1.128 3225 F CA 0.357 58.460 58.000 0.171 0.000 1.268 3225 F CB 0.767 39.851 39.000 0.140 0.000 1.161 3225 F HN 0.496 nan 8.300 nan 0.000 0.583 3226 E N 1.218 121.552 120.200 0.224 0.000 2.201 3226 E HA 0.042 4.392 4.350 0.000 0.000 0.193 3226 E C -0.211 176.424 176.600 0.058 0.000 0.957 3226 E CA 0.577 57.038 56.400 0.102 0.000 0.858 3226 E CB 0.357 30.087 29.700 0.050 0.000 0.816 3226 E HN 0.803 nan 8.360 nan 0.000 0.475 3227 E N -0.503 119.723 120.200 0.043 0.000 2.403 3227 E HA 0.506 4.856 4.350 0.000 0.000 0.280 3227 E C -1.137 175.303 176.600 -0.267 0.000 1.101 3227 E CA -0.523 55.787 56.400 -0.150 0.000 0.856 3227 E CB 0.960 30.572 29.700 -0.147 0.000 1.303 3227 E HN -0.134 nan 8.360 nan 0.000 0.441 3228 I N 0.934 121.093 120.570 -0.683 0.000 2.686 3228 I HA 0.547 4.717 4.170 0.000 0.000 0.295 3228 I C -0.980 174.603 176.117 -0.890 0.000 1.114 3228 I CA -0.938 59.885 61.300 -0.795 0.000 1.038 3228 I CB 2.288 39.581 38.000 -1.177 0.000 1.238 3228 I HN 0.562 nan 8.210 nan 0.000 0.420 3229 S N 4.071 119.480 115.700 -0.484 0.000 2.549 3229 S HA 0.776 5.246 4.470 0.000 0.000 0.280 3229 S C -1.580 172.921 174.600 -0.164 0.000 1.109 3229 S CA -0.433 57.555 58.200 -0.353 0.000 0.905 3229 S CB 1.389 64.448 63.200 -0.234 0.000 1.081 3229 S HN 0.472 nan 8.310 nan 0.000 0.477 3230 Y N -0.032 120.181 120.300 -0.145 0.000 2.553 3230 Y HA 0.835 5.385 4.550 0.000 0.000 0.347 3230 Y C -0.872 175.004 175.900 -0.039 0.000 1.019 3230 Y CA -0.882 57.197 58.100 -0.034 0.000 1.032 3230 Y CB 1.411 39.934 38.460 0.105 0.000 1.284 3230 Y HN 0.421 nan 8.280 nan 0.000 0.466 3231 T N 2.961 117.650 114.554 0.225 0.000 3.011 3231 T HA 0.503 4.853 4.350 0.000 0.000 0.303 3231 T C -1.438 173.357 174.700 0.159 0.000 0.997 3231 T CA -0.638 61.509 62.100 0.078 0.000 1.007 3231 T CB 1.365 70.220 68.868 -0.022 0.000 1.017 3231 T HN 0.625 nan 8.240 nan 0.000 0.443 3232 V N 4.226 124.212 119.914 0.120 0.000 2.394 3232 V HA 0.475 4.595 4.120 0.000 0.000 0.282 3232 V C -1.078 175.046 176.094 0.051 0.000 1.031 3232 V CA -0.728 61.667 62.300 0.159 0.000 0.881 3232 V CB 0.751 32.658 31.823 0.141 0.000 0.982 3232 V HN 0.810 nan 8.190 nan 0.000 0.451 3233 Y N 3.026 123.507 120.300 0.302 0.000 2.352 3233 Y HA 0.499 5.049 4.550 0.000 0.000 0.339 3233 Y C 0.300 176.397 175.900 0.328 0.000 0.992 3233 Y CA -0.345 57.929 58.100 0.289 0.000 1.100 3233 Y CB 1.720 40.343 38.460 0.271 0.000 1.192 3233 Y HN 0.553 nan 8.280 nan 0.000 0.458 3234 Q N 2.119 122.182 119.800 0.438 0.000 2.290 3234 Q HA 0.433 4.773 4.340 0.000 0.000 0.259 3234 Q C -0.928 175.221 176.000 0.248 0.000 0.941 3234 Q CA -0.557 55.415 55.803 0.281 0.000 0.912 3234 Q CB 1.341 30.285 28.738 0.344 0.000 1.244 3234 Q HN 0.657 nan 8.270 nan 0.000 0.441 3235 S N 4.253 119.996 115.700 0.072 0.000 2.429 3235 S HA 0.618 5.088 4.470 0.000 0.000 0.302 3235 S C -1.376 173.282 174.600 0.097 0.000 1.115 3235 S CA -0.360 57.905 58.200 0.109 0.000 1.095 3235 S CB 0.201 63.577 63.200 0.292 0.000 0.987 3235 S HN 0.564 nan 8.310 nan 0.000 0.474 3236 Y N 2.134 122.421 120.300 -0.022 0.000 2.744 3236 Y HA 0.724 5.274 4.550 0.000 0.000 0.330 3236 Y C -1.846 174.040 175.900 -0.024 0.000 1.263 3236 Y CA -1.568 56.508 58.100 -0.040 0.000 1.065 3236 Y CB 0.871 39.309 38.460 -0.037 0.000 1.306 3236 Y HN 0.394 nan 8.280 nan 0.000 0.459 3237 L N 2.311 123.632 121.223 0.162 0.000 2.313 3237 L HA 0.481 4.821 4.340 0.000 0.000 0.283 3237 L C -1.016 175.964 176.870 0.183 0.000 1.013 3237 L CA -0.571 54.303 54.840 0.057 0.000 0.816 3237 L CB 1.484 43.551 42.059 0.013 0.000 1.236 3237 L HN 0.668 nan 8.230 nan 0.000 0.419 3238 D N 1.337 121.824 120.400 0.145 0.000 2.384 3238 D HA 0.272 4.912 4.640 0.000 0.000 0.250 3238 D C -0.416 175.942 176.300 0.098 0.000 1.029 3238 D CA -0.052 54.060 54.000 0.187 0.000 0.990 3238 D CB 1.268 42.219 40.800 0.252 0.000 1.175 3238 D HN 0.428 nan 8.370 nan 0.000 0.532 3239 Q N 0.008 119.854 119.800 0.077 0.000 2.460 3239 Q HA -0.184 4.156 4.340 0.000 0.000 0.311 3239 Q C -0.510 175.496 176.000 0.010 0.000 1.396 3239 Q CA 0.116 55.952 55.803 0.054 0.000 0.838 3239 Q CB -1.369 27.412 28.738 0.071 0.000 1.140 3239 Q HN 0.409 nan 8.270 nan 0.000 0.415 3240 L N 2.136 123.307 121.223 -0.087 0.000 2.499 3240 L HA 0.168 4.508 4.340 0.000 0.000 0.273 3240 L C -1.145 175.690 176.870 -0.059 0.000 1.195 3240 L CA -1.353 53.376 54.840 -0.185 0.000 0.882 3240 L CB -0.291 41.428 42.059 -0.566 0.000 1.133 3240 L HN 0.078 nan 8.230 nan 0.000 0.483 3241 P HA 0.071 nan 4.420 nan 0.000 0.268 3241 P C -0.764 176.635 177.300 0.165 0.000 1.204 3241 P CA -0.096 63.048 63.100 0.073 0.000 0.768 3241 P CB 1.180 32.909 31.700 0.048 0.000 0.842 3242 V N 2.897 122.916 119.914 0.175 0.000 2.513 3242 V HA 0.727 4.847 4.120 0.000 0.000 0.299 3242 V C 0.914 177.066 176.094 0.097 0.000 1.035 3242 V CA -0.035 62.378 62.300 0.188 0.000 0.889 3242 V CB 1.601 33.519 31.823 0.158 0.000 0.988 3242 V HN 0.909 nan 8.190 nan 0.000 0.440 3243 G N 2.140 110.985 108.800 0.075 0.000 3.247 3243 G HA2 0.584 4.544 3.960 0.000 0.000 0.199 3243 G HA3 0.584 4.544 3.960 0.000 0.000 0.199 3243 G C -0.265 174.650 174.900 0.026 0.000 1.172 3243 G CA 0.237 45.365 45.100 0.046 0.000 0.844 3243 G HN 0.789 nan 8.290 nan 0.000 0.619 3244 Q N -1.365 118.446 119.800 0.020 0.000 2.844 3244 Q HA 0.529 4.869 4.340 0.000 0.000 0.235 3244 Q C 0.363 176.368 176.000 0.007 0.000 1.336 3244 Q CA 0.756 56.565 55.803 0.010 0.000 1.026 3244 Q CB -1.221 27.523 28.738 0.009 0.000 1.513 3244 Q HN 2.266 nan 8.270 nan 0.000 0.577 3245 N N -1.256 117.444 118.700 -0.000 0.000 3.400 3245 N HA 0.440 5.180 4.740 0.000 0.000 0.134 3245 N C 1.236 176.736 175.510 -0.018 0.000 1.073 3245 N CA 0.860 53.907 53.050 -0.005 0.000 2.788 3245 N CB -1.295 37.196 38.487 0.007 0.000 1.172 3245 N HN 2.131 nan 8.380 nan 0.000 0.820 3246 G N -0.541 108.238 108.800 -0.034 0.000 2.484 3246 G HA2 -0.045 3.915 3.960 0.000 0.000 0.225 3246 G HA3 -0.045 3.915 3.960 0.000 0.000 0.225 3246 G C -0.226 174.680 174.900 0.010 0.000 1.250 3246 G CA -0.233 44.809 45.100 -0.097 0.000 0.926 3246 G HN 1.252 nan 8.290 nan 0.000 0.581 3247 Y N 0.348 120.658 120.300 0.017 0.000 2.712 3247 Y HA 0.299 4.849 4.550 0.000 0.000 0.333 3247 Y C 1.518 177.429 175.900 0.017 0.000 1.225 3247 Y CA -0.201 57.911 58.100 0.020 0.000 1.499 3247 Y CB 0.308 38.782 38.460 0.023 0.000 1.288 3247 Y HN 0.333 nan 8.280 nan 0.000 0.575 3248 I N 6.145 126.833 120.570 0.196 0.000 2.308 3248 I HA 0.127 4.297 4.170 0.000 0.000 0.293 3248 I C -0.606 175.557 176.117 0.077 0.000 1.078 3248 I CA 0.252 61.613 61.300 0.102 0.000 1.292 3248 I CB -0.002 38.041 38.000 0.071 0.000 1.423 3248 I HN 0.340 nan 8.210 nan 0.000 0.493 3249 L N 8.693 129.958 121.223 0.069 0.000 2.408 3249 L HA 0.506 4.846 4.340 0.000 0.000 0.268 3249 L C -2.391 174.495 176.870 0.026 0.000 0.986 3249 L CA -1.903 52.964 54.840 0.045 0.000 0.820 3249 L CB 2.348 44.447 42.059 0.067 0.000 1.303 3249 L HN 0.340 nan 8.230 nan 0.000 0.411 3250 P HA 0.152 nan 4.420 nan 0.000 0.273 3250 P C 0.700 177.998 177.300 -0.004 0.000 1.428 3250 P CA -0.211 62.887 63.100 -0.003 0.000 0.995 3250 P CB 0.673 32.364 31.700 -0.015 0.000 1.286 3251 L N 2.767 123.991 121.223 0.001 0.000 2.079 3251 L HA -0.176 4.164 4.340 0.000 0.000 0.210 3251 L C 2.417 179.279 176.870 -0.014 0.000 1.081 3251 L CA 1.416 56.258 54.840 0.002 0.000 0.752 3251 L CB -0.549 41.514 42.059 0.007 0.000 0.896 3251 L HN 0.270 nan 8.230 nan 0.000 0.433 3252 I N -0.477 120.074 120.570 -0.032 0.000 2.233 3252 I HA -0.242 3.928 4.170 0.000 0.000 0.243 3252 I C 2.109 178.178 176.117 -0.080 0.000 1.093 3252 I CA 1.019 62.285 61.300 -0.057 0.000 1.380 3252 I CB -0.429 37.528 38.000 -0.073 0.000 1.067 3252 I HN 0.207 nan 8.210 nan 0.000 0.413 3253 D N 1.311 121.664 120.400 -0.079 0.000 2.106 3253 D HA -0.178 4.462 4.640 0.000 0.000 0.191 3253 D C 2.166 178.437 176.300 -0.048 0.000 0.997 3253 D CA 1.478 55.424 54.000 -0.091 0.000 0.834 3253 D CB -0.394 40.370 40.800 -0.060 0.000 0.956 3253 D HN 0.271 nan 8.370 nan 0.000 0.448 3254 L N 0.309 121.525 121.223 -0.012 0.000 2.551 3254 L HA -0.013 4.327 4.340 0.000 0.000 0.228 3254 L C 1.527 178.418 176.870 0.035 0.000 1.153 3254 L CA 0.713 55.568 54.840 0.025 0.000 0.851 3254 L CB -0.238 41.842 42.059 0.034 0.000 0.959 3254 L HN 0.031 nan 8.230 nan 0.000 0.451 3255 S N -3.261 112.442 115.700 0.005 0.000 2.650 3255 S HA 0.179 4.649 4.470 0.000 0.000 0.240 3255 S C 0.505 175.094 174.600 -0.017 0.000 1.007 3255 S CA -0.558 57.647 58.200 0.008 0.000 0.984 3255 S CB 0.180 63.382 63.200 0.004 0.000 0.910 3255 S HN 0.085 nan 8.310 nan 0.000 0.509 3256 T N 2.824 117.354 114.554 -0.039 0.000 2.855 3256 T HA 0.598 4.948 4.350 0.000 0.000 0.281 3256 T C -0.569 174.110 174.700 -0.035 0.000 1.007 3256 T CA -0.593 61.463 62.100 -0.073 0.000 1.009 3256 T CB 1.325 70.076 68.868 -0.195 0.000 0.983 3256 T HN 0.254 nan 8.240 nan 0.000 0.455 3257 L N 3.029 124.230 121.223 -0.036 0.000 2.295 3257 L HA 0.489 4.829 4.340 0.000 0.000 0.285 3257 L C -0.997 175.943 176.870 0.116 0.000 1.035 3257 L CA -1.123 53.672 54.840 -0.074 0.000 0.806 3257 L CB 0.825 42.731 42.059 -0.255 0.000 1.214 3257 L HN 0.625 nan 8.230 nan 0.000 0.426 3258 Y N 4.260 124.597 120.300 0.063 0.000 2.402 3258 Y HA 0.484 5.034 4.550 0.000 0.000 0.332 3258 Y C -0.877 174.967 175.900 -0.092 0.000 0.960 3258 Y CA -1.153 57.043 58.100 0.160 0.000 1.228 3258 Y CB 0.616 39.304 38.460 0.379 0.000 1.120 3258 Y HN 0.529 nan 8.280 nan 0.000 0.491 3259 N N 5.058 123.323 118.700 -0.724 0.000 2.312 3259 N HA 0.553 5.293 4.740 0.000 0.000 0.296 3259 N C -1.894 173.107 175.510 -0.848 0.000 1.193 3259 N CA -0.627 51.925 53.050 -0.829 0.000 0.773 3259 N CB 2.305 40.302 38.487 -0.817 0.000 1.435 3259 N HN 0.486 nan 8.380 nan 0.000 0.484 3260 L N 0.726 121.652 121.223 -0.495 0.000 2.346 3260 L HA 0.521 4.861 4.340 0.000 0.000 0.276 3260 L C 0.023 176.879 176.870 -0.024 0.000 1.006 3260 L CA -0.213 54.507 54.840 -0.200 0.000 0.817 3260 L CB 1.451 43.356 42.059 -0.257 0.000 1.272 3260 L HN 0.478 nan 8.230 nan 0.000 0.421 3261 E N 2.075 122.399 120.200 0.207 0.000 2.412 3261 E HA 0.476 4.826 4.350 0.000 0.000 0.279 3261 E C -1.538 175.153 176.600 0.152 0.000 0.984 3261 E CA -0.915 55.602 56.400 0.195 0.000 0.788 3261 E CB 2.974 32.856 29.700 0.303 0.000 1.277 3261 E HN 0.644 nan 8.360 nan 0.000 0.455 3262 N N -0.134 118.592 118.700 0.043 0.000 2.455 3262 N HA 0.532 5.272 4.740 0.000 0.000 0.278 3262 N C -1.270 174.270 175.510 0.049 0.000 1.291 3262 N CA -0.575 52.432 53.050 -0.073 0.000 0.780 3262 N CB 2.115 40.435 38.487 -0.278 0.000 1.520 3262 N HN 0.490 nan 8.380 nan 0.000 0.486 3263 S N -1.251 114.488 115.700 0.064 0.000 2.656 3263 S HA 0.862 5.332 4.470 0.000 0.000 0.273 3263 S C -1.496 173.175 174.600 0.117 0.000 1.168 3263 S CA -0.959 57.307 58.200 0.110 0.000 0.817 3263 S CB 1.240 64.530 63.200 0.150 0.000 1.146 3263 S HN 1.035 nan 8.310 nan 0.000 0.475 3264 A N 0.952 123.846 122.820 0.124 0.000 2.355 3264 A HA 0.809 5.129 4.320 0.000 0.000 0.317 3264 A C -1.023 176.640 177.584 0.132 0.000 1.094 3264 A CA -0.677 51.440 52.037 0.132 0.000 0.764 3264 A CB 1.253 20.332 19.000 0.132 0.000 1.230 3264 A HN 0.614 nan 8.150 nan 0.000 0.448 3265 Q N 0.388 120.284 119.800 0.161 0.000 2.353 3265 Q HA 0.736 5.076 4.340 0.000 0.000 0.268 3265 Q C -0.554 175.595 176.000 0.248 0.000 1.045 3265 Q CA -0.438 55.505 55.803 0.233 0.000 0.811 3265 Q CB 2.218 31.146 28.738 0.316 0.000 1.305 3265 Q HN 0.977 nan 8.270 nan 0.000 0.447 3266 A N -0.282 122.694 122.820 0.259 0.000 2.435 3266 A HA 0.911 5.231 4.320 0.000 0.000 0.296 3266 A C 0.306 178.035 177.584 0.242 0.000 1.147 3266 A CA -0.168 51.941 52.037 0.121 0.000 0.775 3266 A CB 1.540 20.580 19.000 0.065 0.000 1.340 3266 A HN 0.975 nan 8.150 nan 0.000 0.427 3267 G N -0.858 107.976 108.800 0.057 0.000 2.157 3267 G HA2 0.022 3.982 3.960 0.000 0.000 0.118 3267 G HA3 0.022 3.982 3.960 0.000 0.000 0.118 3267 G C -0.459 174.485 174.900 0.074 0.000 1.032 3267 G CA -0.126 45.079 45.100 0.174 0.000 0.697 3267 G HN 0.741 nan 8.290 nan 0.000 0.495 3268 L N 1.973 122.999 121.223 -0.328 0.000 2.371 3268 L HA 0.734 5.074 4.340 0.000 0.000 0.272 3268 L C 0.901 177.689 176.870 -0.137 0.000 1.124 3268 L CA 0.469 55.075 54.840 -0.390 0.000 0.816 3268 L CB 1.615 43.288 42.059 -0.644 0.000 1.129 3268 L HN 0.404 nan 8.230 nan 0.000 0.448 3269 T N 0.382 114.889 114.554 -0.078 0.000 2.933 3269 T HA 0.536 4.886 4.350 0.000 0.000 0.305 3269 T C -2.830 171.839 174.700 -0.052 0.000 1.092 3269 T CA -2.335 59.739 62.100 -0.043 0.000 1.008 3269 T CB 1.801 70.663 68.868 -0.010 0.000 1.102 3269 T HN 0.140 nan 8.240 nan 0.000 0.469 3270 P HA 0.124 nan 4.420 nan 0.000 0.261 3270 P C 0.218 177.487 177.300 -0.051 0.000 1.173 3270 P CA 0.740 63.812 63.100 -0.046 0.000 0.760 3270 P CB -0.172 31.510 31.700 -0.029 0.000 0.783 3271 N N -1.128 117.527 118.700 -0.076 0.000 2.778 3271 N HA -0.154 4.586 4.740 0.000 0.000 0.249 3271 N C -0.687 174.785 175.510 -0.063 0.000 1.069 3271 N CA 0.296 53.301 53.050 -0.074 0.000 0.831 3271 N CB -1.405 37.061 38.487 -0.035 0.000 1.142 3271 N HN 0.130 nan 8.380 nan 0.000 0.573 3272 V N 0.633 120.507 119.914 -0.066 0.000 2.513 3272 V HA 0.258 4.378 4.120 0.000 0.000 0.299 3272 V C 0.016 176.082 176.094 -0.047 0.000 1.035 3272 V CA -0.713 61.567 62.300 -0.034 0.000 0.889 3272 V CB 1.796 33.617 31.823 -0.003 0.000 0.988 3272 V HN 0.016 nan 8.190 nan 0.000 0.440 3273 D N 3.251 123.637 120.400 -0.024 0.000 2.382 3273 D HA 0.141 4.781 4.640 0.000 0.000 0.259 3273 D C -0.548 175.768 176.300 0.027 0.000 1.224 3273 D CA 0.411 54.397 54.000 -0.023 0.000 0.894 3273 D CB 0.414 41.224 40.800 0.017 0.000 1.127 3273 D HN 0.349 nan 8.370 nan 0.000 0.487 3274 F N 3.666 123.525 119.950 -0.151 0.000 2.391 3274 F HA 0.305 4.832 4.527 0.000 0.000 0.359 3274 F C -0.620 175.122 175.800 -0.096 0.000 1.122 3274 F CA -0.743 57.181 58.000 -0.126 0.000 1.120 3274 F CB 0.724 39.620 39.000 -0.174 0.000 1.142 3274 F HN -0.004 nan 8.300 nan 0.000 0.483 3275 V N 7.061 126.718 119.914 -0.429 0.000 2.384 3275 V HA 0.364 4.484 4.120 0.000 0.000 0.287 3275 V C -0.582 175.269 176.094 -0.405 0.000 1.020 3275 V CA -0.876 61.243 62.300 -0.301 0.000 0.850 3275 V CB 1.458 33.174 31.823 -0.178 0.000 0.987 3275 V HN 0.483 nan 8.190 nan 0.000 0.436 3276 V N 5.299 125.074 119.914 -0.232 0.000 2.311 3276 V HA 0.309 4.429 4.120 0.000 0.000 0.275 3276 V C 0.193 176.169 176.094 -0.197 0.000 1.022 3276 V CA -0.700 61.475 62.300 -0.208 0.000 0.830 3276 V CB 1.104 32.875 31.823 -0.086 0.000 1.012 3276 V HN 0.805 nan 8.190 nan 0.000 0.452 3277 Q N 2.865 122.559 119.800 -0.178 0.000 2.364 3277 Q HA 0.211 4.551 4.340 0.000 0.000 0.267 3277 Q C -0.680 175.181 176.000 -0.231 0.000 0.999 3277 Q CA 0.116 55.838 55.803 -0.136 0.000 0.886 3277 Q CB 0.871 29.555 28.738 -0.088 0.000 1.243 3277 Q HN 0.623 nan 8.270 nan 0.000 0.415 3278 Y N -0.030 120.165 120.300 -0.174 0.000 2.402 3278 Y HA 0.130 4.680 4.550 0.000 0.000 0.333 3278 Y C 0.936 176.705 175.900 -0.217 0.000 1.076 3278 Y CA -0.232 57.637 58.100 -0.385 0.000 1.299 3278 Y CB 0.778 38.933 38.460 -0.509 0.000 1.197 3278 Y HN 0.673 nan 8.280 nan 0.000 0.517 3279 A N 3.828 126.601 122.820 -0.080 0.000 2.900 3279 A HA 0.227 4.547 4.320 0.000 0.000 0.246 3279 A C 1.130 178.619 177.584 -0.158 0.000 1.725 3279 A CA 0.544 52.517 52.037 -0.107 0.000 1.400 3279 A CB -2.168 16.720 19.000 -0.186 0.000 0.973 3279 A HN 1.122 nan 8.150 nan 0.000 0.635 3280 N N -1.007 117.678 118.700 -0.024 0.000 3.699 3280 N HA -0.058 4.682 4.740 0.000 0.000 0.355 3280 N C 0.851 176.271 175.510 -0.150 0.000 1.094 3280 N CA 1.119 54.137 53.050 -0.054 0.000 2.627 3280 N CB -0.564 37.864 38.487 -0.098 0.000 0.583 3280 N HN 1.383 nan 8.380 nan 0.000 0.831 3281 L N -2.825 118.363 121.223 -0.058 0.000 3.898 3281 L HA -0.209 4.131 4.340 0.000 0.000 0.382 3281 L C 0.871 177.939 176.870 0.331 0.000 0.711 3281 L CA 2.127 57.016 54.840 0.082 0.000 2.828 3281 L CB -2.113 39.932 42.059 -0.023 0.000 0.852 3281 L HN 0.915 nan 8.230 nan 0.000 0.694 3282 Y N 0.103 120.409 120.300 0.009 0.000 2.326 3282 Y HA 0.359 4.909 4.550 0.000 0.000 0.333 3282 Y C 1.019 176.895 175.900 -0.039 0.000 1.240 3282 Y CA -0.803 57.150 58.100 -0.246 0.000 1.365 3282 Y CB 0.421 38.237 38.460 -1.074 0.000 1.289 3282 Y HN -0.030 nan 8.280 nan 0.000 0.548 3283 R N 2.496 123.067 120.500 0.118 0.000 2.278 3283 R HA 0.212 4.552 4.340 0.000 0.000 0.322 3283 R C -1.803 174.554 176.300 0.094 0.000 1.058 3283 R CA -0.495 55.678 56.100 0.121 0.000 0.991 3283 R CB 0.116 30.425 30.300 0.015 0.000 1.140 3283 R HN 0.482 nan 8.270 nan 0.000 0.518 3284 Y N 3.268 123.687 120.300 0.198 0.000 2.531 3284 Y HA 0.025 4.575 4.550 0.000 0.000 0.347 3284 Y C 1.324 177.300 175.900 0.127 0.000 1.024 3284 Y CA -0.231 58.002 58.100 0.221 0.000 1.306 3284 Y CB 0.470 39.075 38.460 0.241 0.000 1.149 3284 Y HN 0.483 nan 8.280 nan 0.000 0.527 3285 L N 1.904 123.252 121.223 0.207 0.000 2.162 3285 L HA 0.012 4.352 4.340 0.000 0.000 0.205 3285 L C 0.796 177.785 176.870 0.199 0.000 1.086 3285 L CA 0.682 55.583 54.840 0.102 0.000 0.778 3285 L CB -0.132 41.896 42.059 -0.051 0.000 0.928 3285 L HN 0.625 nan 8.230 nan 0.000 0.446 3286 S N -2.050 113.833 115.700 0.304 0.000 2.570 3286 S HA 0.595 5.065 4.470 0.000 0.000 0.270 3286 S C -0.627 174.187 174.600 0.357 0.000 1.149 3286 S CA -0.701 57.655 58.200 0.259 0.000 0.837 3286 S CB 2.341 65.737 63.200 0.328 0.000 1.124 3286 S HN -0.074 nan 8.310 nan 0.000 0.465 3287 T N 1.997 116.677 114.554 0.210 0.000 2.921 3287 T HA 0.595 4.945 4.350 0.000 0.000 0.297 3287 T C -0.926 173.768 174.700 -0.011 0.000 1.013 3287 T CA -0.419 61.756 62.100 0.125 0.000 0.990 3287 T CB 0.866 69.836 68.868 0.170 0.000 1.023 3287 T HN 0.660 nan 8.240 nan 0.000 0.447 3288 I N 2.336 122.841 120.570 -0.108 0.000 2.465 3288 I HA 0.701 4.871 4.170 0.000 0.000 0.291 3288 I C -0.274 175.713 176.117 -0.217 0.000 1.014 3288 I CA -1.007 60.266 61.300 -0.045 0.000 1.093 3288 I CB 1.718 39.789 38.000 0.118 0.000 1.267 3288 I HN 0.717 nan 8.210 nan 0.000 0.431 3289 A N 6.497 129.230 122.820 -0.144 0.000 2.335 3289 A HA 0.736 5.056 4.320 0.000 0.000 0.304 3289 A C -1.003 176.657 177.584 0.127 0.000 1.118 3289 A CA -0.471 51.497 52.037 -0.116 0.000 0.757 3289 A CB 1.290 20.141 19.000 -0.248 0.000 1.188 3289 A HN 0.406 nan 8.150 nan 0.000 0.460 3290 V N 3.444 123.447 119.914 0.149 0.000 2.347 3290 V HA 0.293 4.413 4.120 0.000 0.000 0.280 3290 V C -0.623 175.646 176.094 0.292 0.000 1.021 3290 V CA -0.399 62.031 62.300 0.215 0.000 0.847 3290 V CB 1.130 33.036 31.823 0.138 0.000 0.990 3290 V HN 0.779 nan 8.190 nan 0.000 0.444 3291 F N 5.330 125.361 119.950 0.136 0.000 2.515 3291 F HA 0.355 4.882 4.527 0.000 0.000 0.353 3291 F C 0.468 176.136 175.800 -0.220 0.000 1.213 3291 F CA -1.757 56.242 58.000 -0.001 0.000 1.194 3291 F CB 0.134 39.166 39.000 0.054 0.000 1.488 3291 F HN 0.606 nan 8.300 nan 0.000 0.619 3292 D N 4.165 124.534 120.400 -0.050 0.000 2.435 3292 D HA -0.025 4.615 4.640 0.000 0.000 0.230 3292 D C -0.098 175.879 176.300 -0.538 0.000 1.215 3292 D CA 0.056 53.697 54.000 -0.598 0.000 0.947 3292 D CB -0.311 40.372 40.800 -0.195 0.000 1.048 3292 D HN 0.253 nan 8.370 nan 0.000 0.512 3293 N N 2.828 120.974 118.700 -0.924 0.000 3.050 3293 N HA 0.205 4.945 4.740 0.000 0.000 0.289 3293 N C 0.791 176.014 175.510 -0.478 0.000 1.209 3293 N CA 0.457 53.023 53.050 -0.806 0.000 1.154 3293 N CB -0.442 37.355 38.487 -1.149 0.000 1.444 3293 N HN 0.613 nan 8.380 nan 0.000 0.529 3294 G N 0.926 109.538 108.800 -0.313 0.000 2.273 3294 G HA2 -0.215 3.745 3.960 0.000 0.000 0.280 3294 G HA3 -0.215 3.745 3.960 0.000 0.000 0.280 3294 G C 0.956 175.734 174.900 -0.204 0.000 1.047 3294 G CA 0.525 45.504 45.100 -0.202 0.000 0.869 3294 G HN 1.121 nan 8.290 nan 0.000 0.502 3295 G N -2.404 106.230 108.800 -0.277 0.000 2.195 3295 G HA2 -0.044 3.916 3.960 0.000 0.000 0.246 3295 G HA3 -0.044 3.916 3.960 0.000 0.000 0.246 3295 G C 0.432 175.217 174.900 -0.192 0.000 0.984 3295 G CA 0.654 45.664 45.100 -0.150 0.000 0.633 3295 G HN 1.726 nan 8.290 nan 0.000 0.525 3296 S N 0.143 115.598 115.700 -0.407 0.000 2.489 3296 S HA 0.765 5.235 4.470 0.000 0.000 0.291 3296 S C -0.817 173.400 174.600 -0.638 0.000 1.151 3296 S CA -0.323 57.682 58.200 -0.325 0.000 1.082 3296 S CB 0.872 63.910 63.200 -0.270 0.000 1.019 3296 S HN 0.305 nan 8.310 nan 0.000 0.492 3297 F N 2.972 122.814 119.950 -0.181 0.000 2.445 3297 F HA 0.437 4.964 4.527 0.000 0.000 0.348 3297 F C 0.456 176.190 175.800 -0.111 0.000 1.125 3297 F CA -0.859 57.043 58.000 -0.164 0.000 0.983 3297 F CB 1.138 40.045 39.000 -0.156 0.000 1.198 3297 F HN 0.385 nan 8.300 nan 0.000 0.436 3298 N N 1.462 120.153 118.700 -0.015 0.000 2.417 3298 N HA 0.490 5.230 4.740 0.000 0.000 0.300 3298 N C -0.426 175.146 175.510 0.102 0.000 1.102 3298 N CA -0.677 52.386 53.050 0.020 0.000 0.886 3298 N CB 2.218 40.678 38.487 -0.045 0.000 1.203 3298 N HN 0.568 nan 8.380 nan 0.000 0.496 3299 A N 0.666 123.546 122.820 0.099 0.000 3.063 3299 A HA 0.456 4.776 4.320 0.000 0.000 0.263 3299 A C 1.360 179.052 177.584 0.179 0.000 1.736 3299 A CA 0.329 52.446 52.037 0.132 0.000 1.408 3299 A CB -1.426 17.631 19.000 0.097 0.000 1.108 3299 A HN 0.911 nan 8.150 nan 0.000 0.621 3300 G N 1.091 110.059 108.800 0.280 0.000 2.302 3300 G HA2 -0.423 3.537 3.960 0.000 0.000 0.263 3300 G HA3 -0.423 3.537 3.960 0.000 0.000 0.263 3300 G C 1.358 176.338 174.900 0.133 0.000 0.995 3300 G CA 1.569 46.823 45.100 0.256 0.000 0.622 3300 G HN 1.578 nan 8.290 nan 0.000 0.538 3301 T N -0.693 113.921 114.554 0.100 0.000 3.025 3301 T HA 0.041 4.391 4.350 0.000 0.000 0.270 3301 T C 1.488 176.212 174.700 0.040 0.000 1.126 3301 T CA 1.874 64.008 62.100 0.057 0.000 1.105 3301 T CB -0.234 68.657 68.868 0.039 0.000 0.884 3301 T HN 0.621 nan 8.240 nan 0.000 0.522 3302 D N 0.309 120.742 120.400 0.056 0.000 2.368 3302 D HA 0.250 4.890 4.640 0.000 0.000 0.218 3302 D C 0.174 176.548 176.300 0.123 0.000 1.112 3302 D CA -0.496 53.543 54.000 0.065 0.000 0.834 3302 D CB -0.284 40.514 40.800 -0.004 0.000 0.953 3302 D HN 0.482 nan 8.370 nan 0.000 0.505 3303 I N 0.475 121.075 120.570 0.050 0.000 2.545 3303 I HA 0.223 4.393 4.170 0.000 0.000 0.292 3303 I C 0.601 176.661 176.117 -0.096 0.000 1.040 3303 I CA -0.863 60.397 61.300 -0.067 0.000 1.068 3303 I CB 2.143 40.046 38.000 -0.162 0.000 1.251 3303 I HN -0.270 nan 8.210 nan 0.000 0.424 3304 N N 3.831 122.422 118.700 -0.182 0.000 2.220 3304 N HA 0.012 4.752 4.740 0.000 0.000 0.182 3304 N C -0.576 174.923 175.510 -0.018 0.000 1.023 3304 N CA 1.348 54.329 53.050 -0.114 0.000 0.856 3304 N CB 0.280 38.651 38.487 -0.193 0.000 0.997 3304 N HN 0.627 nan 8.380 nan 0.000 0.429 3305 Y N -1.860 118.362 120.300 -0.129 0.000 2.713 3305 Y HA 0.642 5.192 4.550 0.000 0.000 0.335 3305 Y C -1.771 173.958 175.900 -0.285 0.000 1.222 3305 Y CA -1.462 56.546 58.100 -0.152 0.000 1.061 3305 Y CB 0.483 38.893 38.460 -0.085 0.000 1.314 3305 Y HN -0.281 nan 8.280 nan 0.000 0.453 3306 L N 1.606 122.780 121.223 -0.080 0.000 2.333 3306 L HA 0.927 5.267 4.340 0.000 0.000 0.263 3306 L C -0.140 176.613 176.870 -0.195 0.000 1.014 3306 L CA -0.547 54.006 54.840 -0.477 0.000 0.820 3306 L CB 2.217 43.498 42.059 -1.297 0.000 1.352 3306 L HN 0.897 nan 8.230 nan 0.000 0.421 3307 S N -0.160 115.324 115.700 -0.360 0.000 2.636 3307 S HA 0.546 5.016 4.470 0.000 0.000 0.266 3307 S C -2.094 172.389 174.600 -0.194 0.000 1.147 3307 S CA -0.636 57.532 58.200 -0.054 0.000 0.815 3307 S CB 1.530 64.722 63.200 -0.014 0.000 1.119 3307 S HN 0.576 nan 8.310 nan 0.000 0.470 3308 Q N 1.245 121.043 119.800 -0.004 0.000 2.330 3308 Q HA 0.543 4.883 4.340 0.000 0.000 0.269 3308 Q C -0.944 175.054 176.000 -0.003 0.000 1.022 3308 Q CA -0.583 55.242 55.803 0.038 0.000 0.796 3308 Q CB 2.251 31.061 28.738 0.120 0.000 1.271 3308 Q HN 0.551 nan 8.270 nan 0.000 0.450 3309 R N 1.106 121.609 120.500 0.004 0.000 2.686 3309 R HA 0.555 4.895 4.340 0.000 0.000 0.283 3309 R C -0.850 175.435 176.300 -0.024 0.000 0.978 3309 R CA -0.228 55.857 56.100 -0.025 0.000 0.897 3309 R CB 1.703 31.989 30.300 -0.024 0.000 1.192 3309 R HN 0.743 nan 8.270 nan 0.000 0.457 3310 T N 0.054 114.573 114.554 -0.058 0.000 2.948 3310 T HA 0.582 4.932 4.350 0.000 0.000 0.285 3310 T C 0.219 174.905 174.700 -0.024 0.000 1.019 3310 T CA -0.752 61.315 62.100 -0.055 0.000 1.013 3310 T CB 1.570 70.365 68.868 -0.122 0.000 1.117 3310 T HN 0.646 nan 8.240 nan 0.000 0.533 3311 A N 0.914 123.732 122.820 -0.003 0.000 2.535 3311 A HA 0.511 4.831 4.320 0.000 0.000 0.290 3311 A C 1.315 178.895 177.584 -0.007 0.000 1.270 3311 A CA 0.419 52.455 52.037 -0.001 0.000 0.937 3311 A CB -2.205 16.801 19.000 0.010 0.000 1.096 3311 A HN 1.978 nan 8.150 nan 0.000 0.534 3312 N N 0.011 118.703 118.700 -0.015 0.000 2.542 3312 N HA 0.378 5.118 4.740 0.000 0.000 0.218 3312 N C 1.127 176.623 175.510 -0.023 0.000 1.607 3312 N CA 0.809 53.848 53.050 -0.017 0.000 3.190 3312 N CB -1.915 36.561 38.487 -0.018 0.000 1.504 3312 N HN 2.274 nan 8.380 nan 0.000 1.106 3313 F N -0.290 119.646 119.950 -0.024 0.000 3.048 3313 F HA -0.097 4.430 4.527 0.000 0.000 0.287 3313 F C 1.020 176.798 175.800 -0.037 0.000 0.796 3313 F CA 1.778 59.761 58.000 -0.027 0.000 1.111 3313 F CB -2.197 36.790 39.000 -0.023 0.000 1.320 3313 F HN 1.534 nan 8.300 nan 0.000 0.430 3314 S N 1.418 117.094 115.700 -0.041 0.000 2.439 3314 S HA 0.457 4.927 4.470 0.000 0.000 0.282 3314 S C -0.304 174.260 174.600 -0.061 0.000 1.170 3314 S CA -0.001 58.169 58.200 -0.050 0.000 1.054 3314 S CB 0.303 63.474 63.200 -0.049 0.000 0.956 3314 S HN 0.486 nan 8.310 nan 0.000 0.490 3315 D N 3.410 123.772 120.400 -0.065 0.000 2.264 3315 D HA 0.148 4.788 4.640 0.000 0.000 0.250 3315 D C 1.127 177.389 176.300 -0.063 0.000 1.113 3315 D CA -0.008 53.953 54.000 -0.066 0.000 0.871 3315 D CB 1.754 42.504 40.800 -0.083 0.000 1.167 3315 D HN 0.713 nan 8.370 nan 0.000 0.447 3316 T N -0.447 114.071 114.554 -0.060 0.000 3.065 3316 T HA 0.004 4.354 4.350 0.000 0.000 0.252 3316 T C 0.977 175.651 174.700 -0.044 0.000 1.099 3316 T CA -0.120 61.943 62.100 -0.062 0.000 1.063 3316 T CB 0.170 68.988 68.868 -0.084 0.000 0.948 3316 T HN 0.592 nan 8.240 nan 0.000 0.506 3317 R N 0.275 120.763 120.500 -0.019 0.000 2.714 3317 R HA 0.310 4.650 4.340 0.000 0.000 0.214 3317 R C -0.868 175.481 176.300 0.081 0.000 1.474 3317 R CA -0.648 55.455 56.100 0.004 0.000 1.435 3317 R CB -0.315 29.961 30.300 -0.041 0.000 1.517 3317 R HN 0.085 nan 8.270 nan 0.000 0.748 3318 K N 2.984 123.390 120.400 0.010 0.000 2.292 3318 K HA 0.280 4.600 4.320 0.000 0.000 0.290 3318 K C -0.947 175.662 176.600 0.015 0.000 1.083 3318 K CA -0.170 56.099 56.287 -0.030 0.000 0.918 3318 K CB 0.433 32.808 32.500 -0.209 0.000 1.089 3318 K HN 0.447 nan 8.250 nan 0.000 0.473 3319 L N 3.381 124.705 121.223 0.170 0.000 2.370 3319 L HA 0.355 4.695 4.340 0.000 0.000 0.266 3319 L C -0.292 176.712 176.870 0.223 0.000 1.002 3319 L CA -1.384 53.578 54.840 0.204 0.000 0.818 3319 L CB 1.926 44.168 42.059 0.305 0.000 1.325 3319 L HN 0.716 nan 8.230 nan 0.000 0.418 3320 D N 0.703 121.205 120.400 0.171 0.000 2.368 3320 D HA 0.127 4.767 4.640 0.000 0.000 0.240 3320 D C -2.096 174.313 176.300 0.181 0.000 1.169 3320 D CA -1.145 52.948 54.000 0.155 0.000 0.906 3320 D CB 0.626 41.496 40.800 0.118 0.000 1.187 3320 D HN 0.208 nan 8.370 nan 0.000 0.435 3321 P HA -0.197 nan 4.420 nan 0.000 0.216 3321 P C 1.005 178.467 177.300 0.271 0.000 1.153 3321 P CA 1.501 64.697 63.100 0.160 0.000 0.858 3321 P CB 0.112 31.869 31.700 0.095 0.000 0.789 3322 K N -1.213 119.309 120.400 0.204 0.000 2.097 3322 K HA -0.047 4.273 4.320 0.000 0.000 0.205 3322 K C 1.914 178.633 176.600 0.199 0.000 1.050 3322 K CA 1.540 57.943 56.287 0.193 0.000 0.938 3322 K CB -0.625 31.955 32.500 0.134 0.000 0.718 3322 K HN 0.164 nan 8.250 nan 0.000 0.442 3323 T N 0.471 115.141 114.554 0.192 0.000 2.904 3323 T HA -0.142 4.208 4.350 0.000 0.000 0.267 3323 T C 1.183 176.005 174.700 0.204 0.000 1.059 3323 T CA 0.595 62.791 62.100 0.160 0.000 1.137 3323 T CB -0.132 68.812 68.868 0.125 0.000 0.879 3323 T HN 0.426 nan 8.240 nan 0.000 0.467 3324 W N 2.280 123.646 121.300 0.109 0.000 2.355 3324 W HA -0.090 4.570 4.660 0.000 0.000 0.309 3324 W C 2.468 179.104 176.519 0.196 0.000 1.206 3324 W CA 1.299 58.730 57.345 0.143 0.000 1.284 3324 W CB -0.642 28.907 29.460 0.148 0.000 1.145 3324 W HN 0.292 nan 8.180 nan 0.000 0.502 3325 A N 0.943 124.057 122.820 0.490 0.000 1.933 3325 A HA -0.089 4.231 4.320 0.000 0.000 0.218 3325 A C 2.199 179.905 177.584 0.203 0.000 1.175 3325 A CA 2.690 54.953 52.037 0.376 0.000 0.628 3325 A CB -1.255 17.939 19.000 0.323 0.000 0.814 3325 A HN 0.306 nan 8.150 nan 0.000 0.444 3326 A N -0.829 122.081 122.820 0.150 0.000 1.908 3326 A HA -0.212 4.108 4.320 0.000 0.000 0.218 3326 A C 2.093 179.707 177.584 0.050 0.000 1.181 3326 A CA 1.744 53.832 52.037 0.085 0.000 0.627 3326 A CB -0.484 18.557 19.000 0.069 0.000 0.818 3326 A HN 0.514 nan 8.150 nan 0.000 0.445 3327 Q N -0.537 119.268 119.800 0.008 0.000 2.124 3327 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 3327 Q C 2.112 178.128 176.000 0.026 0.000 0.977 3327 Q CA 1.982 57.761 55.803 -0.041 0.000 0.850 3327 Q CB -1.218 27.407 28.738 -0.189 0.000 0.901 3327 Q HN 0.646 nan 8.270 nan 0.000 0.429 3328 T N 1.038 115.647 114.554 0.092 0.000 2.821 3328 T HA -0.051 4.299 4.350 0.000 0.000 0.267 3328 T C 1.807 176.571 174.700 0.105 0.000 1.046 3328 T CA 0.707 62.934 62.100 0.212 0.000 1.139 3328 T CB -0.033 69.060 68.868 0.376 0.000 0.871 3328 T HN 0.258 nan 8.240 nan 0.000 0.454 3329 R N 0.703 121.245 120.500 0.070 0.000 2.152 3329 R HA 0.038 4.378 4.340 0.000 0.000 0.232 3329 R C 2.442 178.747 176.300 0.009 0.000 1.117 3329 R CA 0.745 56.857 56.100 0.019 0.000 0.981 3329 R CB -0.047 30.269 30.300 0.027 0.000 0.870 3329 R HN 0.210 nan 8.270 nan 0.000 0.451 3330 R N 0.133 120.649 120.500 0.026 0.000 2.189 3330 R HA 0.022 4.362 4.340 0.000 0.000 0.218 3330 R C 1.888 178.204 176.300 0.026 0.000 1.074 3330 R CA 0.715 56.827 56.100 0.019 0.000 0.991 3330 R CB 0.026 30.338 30.300 0.020 0.000 0.883 3330 R HN 0.163 nan 8.270 nan 0.000 0.457 3331 R N 0.506 121.036 120.500 0.050 0.000 2.105 3331 R HA 0.139 4.479 4.340 0.000 0.000 0.214 3331 R C 2.053 178.345 176.300 -0.012 0.000 1.091 3331 R CA 0.838 56.978 56.100 0.067 0.000 1.007 3331 R CB -0.036 30.382 30.300 0.197 0.000 0.912 3331 R HN 0.312 nan 8.270 nan 0.000 0.450 3332 I N -3.765 116.756 120.570 -0.081 0.000 4.050 3332 I HA 0.472 4.642 4.170 0.000 0.000 0.327 3332 I C 0.487 176.514 176.117 -0.150 0.000 1.473 3332 I CA 0.106 61.303 61.300 -0.172 0.000 1.124 3332 I CB 0.835 38.600 38.000 -0.392 0.000 1.129 3332 I HN -0.026 nan 8.210 nan 0.000 0.428 3333 A N 0.249 123.014 122.820 -0.092 0.000 2.861 3333 A HA -0.222 4.098 4.320 0.000 0.000 0.261 3333 A C 0.651 178.188 177.584 -0.079 0.000 1.351 3333 A CA 1.705 53.700 52.037 -0.070 0.000 0.904 3333 A CB -2.289 16.673 19.000 -0.064 0.000 1.076 3333 A HN 0.804 nan 8.150 nan 0.000 0.729 3334 T N -1.889 112.599 114.554 -0.110 0.000 2.654 3334 T HA 0.497 4.847 4.350 0.000 0.000 0.303 3334 T C -2.137 172.484 174.700 -0.132 0.000 1.656 3334 T CA 0.136 62.175 62.100 -0.102 0.000 0.971 3334 T CB 0.938 69.738 68.868 -0.114 0.000 1.811 3334 T HN 0.286 nan 8.240 nan 0.000 0.483 3335 D N 0.562 120.904 120.400 -0.096 0.000 2.217 3335 D HA 0.515 5.155 4.640 0.000 0.000 0.248 3335 D C -0.289 175.924 176.300 -0.145 0.000 1.008 3335 D CA -0.132 53.832 54.000 -0.061 0.000 0.914 3335 D CB 0.827 41.645 40.800 0.030 0.000 1.182 3335 D HN 0.338 nan 8.370 nan 0.000 0.451 3336 F N 0.587 120.479 119.950 -0.096 0.000 2.440 3336 F HA 0.216 4.743 4.527 0.000 0.000 0.323 3336 F C -1.336 174.369 175.800 -0.158 0.000 1.192 3336 F CA -1.253 56.614 58.000 -0.222 0.000 1.252 3336 F CB 0.051 38.813 39.000 -0.397 0.000 1.214 3336 F HN 0.062 nan 8.300 nan 0.000 0.578 3337 P HA -0.011 nan 4.420 nan 0.000 0.270 3337 P C -1.154 176.183 177.300 0.061 0.000 1.227 3337 P CA -0.252 62.918 63.100 0.118 0.000 0.788 3337 P CB 0.333 32.202 31.700 0.282 0.000 0.926 3338 K N 1.185 121.627 120.400 0.070 0.000 2.530 3338 K HA 0.105 4.425 4.320 0.000 0.000 0.280 3338 K C 1.300 177.961 176.600 0.101 0.000 1.004 3338 K CA 1.289 57.618 56.287 0.069 0.000 1.071 3338 K CB -0.766 31.793 32.500 0.097 0.000 0.876 3338 K HN 0.861 nan 8.250 nan 0.000 0.487 3339 G N 1.188 109.994 108.800 0.010 0.000 2.179 3339 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 3339 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 3339 G C 0.032 174.847 174.900 -0.142 0.000 0.977 3339 G CA 0.073 45.223 45.100 0.083 0.000 0.641 3339 G HN 0.431 nan 8.290 nan 0.000 0.533 3340 V N 1.055 120.739 119.914 -0.384 0.000 2.370 3340 V HA 0.645 4.765 4.120 0.000 0.000 0.279 3340 V C -0.269 175.441 176.094 -0.640 0.000 1.029 3340 V CA -0.768 61.304 62.300 -0.380 0.000 0.870 3340 V CB 0.808 32.406 31.823 -0.375 0.000 0.984 3340 V HN 0.255 nan 8.190 nan 0.000 0.451 3341 Y N 4.186 124.524 120.300 0.064 0.000 2.393 3341 Y HA 0.617 5.167 4.550 0.000 0.000 0.341 3341 Y C -0.501 175.572 175.900 0.289 0.000 0.988 3341 Y CA -0.778 57.458 58.100 0.227 0.000 1.078 3341 Y CB 1.829 40.345 38.460 0.094 0.000 1.203 3341 Y HN 0.633 nan 8.280 nan 0.000 0.453 3342 Y N 2.243 122.841 120.300 0.496 0.000 2.468 3342 Y HA 0.676 5.226 4.550 0.000 0.000 0.342 3342 Y C -1.197 175.021 175.900 0.530 0.000 1.021 3342 Y CA -1.835 56.459 58.100 0.323 0.000 1.079 3342 Y CB 1.733 40.297 38.460 0.172 0.000 1.226 3342 Y HN 0.800 nan 8.280 nan 0.000 0.460 3343 C N 6.594 125.668 119.300 -0.377 0.000 2.505 3343 C HA 0.362 4.822 4.460 0.000 0.000 0.342 3343 C C -1.315 173.303 174.990 -0.619 0.000 1.121 3343 C CA -0.716 58.137 59.018 -0.276 0.000 1.306 3343 C CB -0.059 27.903 27.740 0.369 0.000 1.897 3343 C HN 0.888 nan 8.230 nan 0.000 0.446 3344 D N 3.905 124.003 120.400 -0.502 0.000 2.280 3344 D HA 0.301 4.941 4.640 0.000 0.000 0.243 3344 D C 0.104 176.374 176.300 -0.050 0.000 1.129 3344 D CA 0.319 54.192 54.000 -0.212 0.000 0.848 3344 D CB 0.764 41.568 40.800 0.007 0.000 1.107 3344 D HN 0.712 nan 8.370 nan 0.000 0.471 3345 N N 3.415 122.130 118.700 0.024 0.000 2.377 3345 N HA 0.093 4.833 4.740 0.000 0.000 0.259 3345 N C 1.104 176.652 175.510 0.063 0.000 1.332 3345 N CA -0.163 52.917 53.050 0.050 0.000 0.877 3345 N CB 0.700 39.231 38.487 0.074 0.000 1.299 3345 N HN 0.358 nan 8.380 nan 0.000 0.501 3346 R N 0.537 121.080 120.500 0.072 0.000 2.083 3346 R HA -0.068 4.272 4.340 0.000 0.000 0.237 3346 R C 0.726 177.044 176.300 0.031 0.000 1.137 3346 R CA 1.291 57.426 56.100 0.059 0.000 0.951 3346 R CB 0.060 30.436 30.300 0.127 0.000 0.851 3346 R HN 0.070 nan 8.270 nan 0.000 0.434 3347 D N 0.229 120.657 120.400 0.045 0.000 2.224 3347 D HA -0.029 4.611 4.640 0.000 0.000 0.205 3347 D C 0.136 176.460 176.300 0.041 0.000 0.965 3347 D CA 1.250 55.273 54.000 0.038 0.000 0.852 3347 D CB 0.243 41.066 40.800 0.039 0.000 0.947 3347 D HN 0.104 nan 8.370 nan 0.000 0.494 3348 K N 0.640 121.072 120.400 0.054 0.000 2.827 3348 K HA 0.278 4.598 4.320 0.000 0.000 0.186 3348 K C -2.747 173.919 176.600 0.109 0.000 1.093 3348 K CA -1.448 54.889 56.287 0.083 0.000 0.993 3348 K CB 2.389 34.944 32.500 0.091 0.000 1.199 3348 K HN -0.108 nan 8.250 nan 0.000 0.598 3349 P HA -0.059 nan 4.420 nan 0.000 0.265 3349 P C -0.074 177.355 177.300 0.215 0.000 1.187 3349 P CA -0.118 63.056 63.100 0.123 0.000 0.766 3349 P CB 0.451 32.194 31.700 0.071 0.000 0.820 3350 I N 3.728 124.419 120.570 0.202 0.000 2.598 3350 I HA -0.020 4.151 4.170 0.000 0.000 0.284 3350 I C -0.002 176.342 176.117 0.379 0.000 1.140 3350 I CA 0.367 61.783 61.300 0.194 0.000 1.420 3350 I CB -1.073 36.733 38.000 -0.324 0.000 1.387 3350 I HN 0.417 nan 8.210 nan 0.000 0.553 3351 Y N 6.529 126.938 120.300 0.181 0.000 2.359 3351 Y HA 0.216 4.766 4.550 0.000 0.000 0.336 3351 Y C 0.319 176.151 175.900 -0.112 0.000 1.098 3351 Y CA -1.333 56.782 58.100 0.025 0.000 1.272 3351 Y CB 0.872 39.289 38.460 -0.071 0.000 1.112 3351 Y HN 0.709 nan 8.280 nan 0.000 0.481 3352 T N 2.341 116.805 114.554 -0.150 0.000 2.903 3352 T HA 0.375 4.725 4.350 0.000 0.000 0.314 3352 T C 0.853 175.223 174.700 -0.550 0.000 1.078 3352 T CA 0.606 62.585 62.100 -0.201 0.000 1.114 3352 T CB 0.826 69.651 68.868 -0.073 0.000 0.987 3352 T HN 0.945 nan 8.240 nan 0.000 0.548 3353 L N -1.111 119.877 121.223 -0.392 0.000 3.294 3353 L HA -0.181 4.159 4.340 0.000 0.000 0.437 3353 L C 1.617 178.253 176.870 -0.389 0.000 0.749 3353 L CA 1.228 55.834 54.840 -0.390 0.000 2.510 3353 L CB -1.497 40.255 42.059 -0.512 0.000 1.159 3353 L HN 0.834 nan 8.230 nan 0.000 0.602 3354 Q N 0.366 119.855 119.800 -0.518 0.000 2.391 3354 Q HA 0.070 4.410 4.340 0.000 0.000 0.243 3354 Q C -0.190 175.566 176.000 -0.408 0.000 0.874 3354 Q CA 0.853 56.357 55.803 -0.498 0.000 0.950 3354 Q CB 0.903 29.226 28.738 -0.691 0.000 1.103 3354 Q HN 0.637 nan 8.270 nan 0.000 0.544 3355 Y N -2.332 117.939 120.300 -0.048 0.000 2.988 3355 Y HA 0.546 5.096 4.550 0.000 0.000 0.241 3355 Y C -0.048 175.829 175.900 -0.040 0.000 0.904 3355 Y CA -0.929 57.152 58.100 -0.031 0.000 1.146 3355 Y CB -0.426 38.028 38.460 -0.011 0.000 1.178 3355 Y HN 0.156 nan 8.280 nan 0.000 0.584 3356 G N 1.763 110.637 108.800 0.123 0.000 2.907 3356 G HA2 -0.275 3.685 3.960 0.000 0.000 0.242 3356 G HA3 -0.275 3.685 3.960 0.000 0.000 0.242 3356 G C -0.337 174.619 174.900 0.094 0.000 1.448 3356 G CA -0.254 44.890 45.100 0.073 0.000 0.911 3356 G HN 0.651 nan 8.290 nan 0.000 0.553 3357 N N -0.859 117.870 118.700 0.047 0.000 2.454 3357 N HA 0.329 5.069 4.740 0.000 0.000 0.254 3357 N C 0.243 175.798 175.510 0.075 0.000 1.228 3357 N CA 0.260 53.340 53.050 0.050 0.000 0.900 3357 N CB 1.400 39.898 38.487 0.018 0.000 1.089 3357 N HN 0.584 nan 8.380 nan 0.000 0.449 3358 V N -0.237 119.747 119.914 0.117 0.000 2.864 3358 V HA 0.826 4.946 4.120 0.000 0.000 0.314 3358 V C 0.601 176.858 176.094 0.271 0.000 1.073 3358 V CA -0.869 61.511 62.300 0.134 0.000 0.956 3358 V CB 2.118 33.980 31.823 0.064 0.000 1.023 3358 V HN 0.811 nan 8.190 nan 0.000 0.435 3359 G N 0.813 109.758 108.800 0.242 0.000 2.612 3359 G HA2 0.651 4.611 3.960 0.000 0.000 0.298 3359 G HA3 0.651 4.611 3.960 0.000 0.000 0.298 3359 G C -1.955 173.097 174.900 0.254 0.000 1.336 3359 G CA -0.587 44.630 45.100 0.195 0.000 0.953 3359 G HN 0.479 nan 8.290 nan 0.000 0.482 3360 F N 1.924 121.874 119.950 -0.001 0.000 2.408 3360 F HA 0.656 5.183 4.527 0.000 0.000 0.344 3360 F C -0.244 175.540 175.800 -0.026 0.000 1.112 3360 F CA -0.474 57.557 58.000 0.052 0.000 1.096 3360 F CB 1.679 40.657 39.000 -0.037 0.000 1.129 3360 F HN 0.282 nan 8.300 nan 0.000 0.486 3361 V N 6.445 126.066 119.914 -0.488 0.000 2.555 3361 V HA 0.600 4.720 4.120 0.000 0.000 0.302 3361 V C -0.872 174.998 176.094 -0.373 0.000 1.038 3361 V CA -0.867 61.266 62.300 -0.278 0.000 0.887 3361 V CB 1.681 33.422 31.823 -0.137 0.000 0.991 3361 V HN 0.574 nan 8.190 nan 0.000 0.434 3362 V N 3.736 123.534 119.914 -0.193 0.000 2.525 3362 V HA 0.468 4.588 4.120 0.000 0.000 0.299 3362 V C -0.415 175.479 176.094 -0.335 0.000 1.034 3362 V CA -0.654 61.461 62.300 -0.309 0.000 0.863 3362 V CB 2.019 33.663 31.823 -0.298 0.000 0.999 3362 V HN 0.886 nan 8.190 nan 0.000 0.423 3363 N N 6.718 125.080 118.700 -0.563 0.000 2.558 3363 N HA 0.378 5.118 4.740 0.000 0.000 0.242 3363 N C -2.779 172.441 175.510 -0.483 0.000 0.979 3363 N CA -1.645 51.045 53.050 -0.601 0.000 0.931 3363 N CB 2.542 40.330 38.487 -1.166 0.000 1.122 3363 N HN 0.343 nan 8.380 nan 0.000 0.508 3364 P HA 0.148 nan 4.420 nan 0.000 0.279 3364 P C 0.162 177.391 177.300 -0.120 0.000 1.239 3364 P CA -0.181 62.789 63.100 -0.215 0.000 0.789 3364 P CB 1.999 33.569 31.700 -0.217 0.000 0.933 3365 K N 1.633 122.002 120.400 -0.051 0.000 2.211 3365 K HA 0.084 4.404 4.320 0.000 0.000 0.201 3365 K C -0.114 176.480 176.600 -0.009 0.000 1.052 3365 K CA 0.896 57.163 56.287 -0.034 0.000 0.973 3365 K CB 0.332 32.821 32.500 -0.019 0.000 0.766 3365 K HN 0.428 nan 8.250 nan 0.000 0.466 3366 T N 0.584 115.152 114.554 0.024 0.000 2.916 3366 T HA 0.409 4.759 4.350 0.000 0.000 0.298 3366 T C -1.538 173.189 174.700 0.046 0.000 1.031 3366 T CA -0.705 61.401 62.100 0.009 0.000 0.993 3366 T CB 2.344 71.199 68.868 -0.021 0.000 1.045 3366 T HN -0.191 nan 8.240 nan 0.000 0.454 3367 V N 4.126 124.047 119.914 0.012 0.000 2.419 3367 V HA 0.412 4.532 4.120 0.000 0.000 0.287 3367 V C -0.353 175.720 176.094 -0.035 0.000 1.017 3367 V CA -1.113 61.202 62.300 0.024 0.000 0.844 3367 V CB 1.503 33.333 31.823 0.011 0.000 1.011 3367 V HN 0.774 nan 8.190 nan 0.000 0.429 3368 N N 2.342 120.994 118.700 -0.080 0.000 2.379 3368 N HA 0.231 4.971 4.740 0.000 0.000 0.260 3368 N C 0.028 175.494 175.510 -0.072 0.000 1.254 3368 N CA -0.490 52.505 53.050 -0.091 0.000 0.958 3368 N CB 0.749 39.152 38.487 -0.139 0.000 1.208 3368 N HN 0.779 nan 8.380 nan 0.000 0.532 3369 Q N 0.573 120.336 119.800 -0.063 0.000 2.337 3369 Q HA -0.015 4.325 4.340 0.000 0.000 0.270 3369 Q C -0.501 175.466 176.000 -0.054 0.000 1.002 3369 Q CA 0.123 55.897 55.803 -0.047 0.000 0.888 3369 Q CB 0.162 28.878 28.738 -0.037 0.000 1.222 3369 Q HN 0.437 nan 8.270 nan 0.000 0.400 3370 N N 0.337 119.013 118.700 -0.040 0.000 2.776 3370 N HA -0.184 4.556 4.740 0.000 0.000 0.249 3370 N C -1.240 174.240 175.510 -0.050 0.000 1.111 3370 N CA 0.953 53.982 53.050 -0.036 0.000 0.711 3370 N CB -1.664 36.804 38.487 -0.032 0.000 1.065 3370 N HN 0.638 nan 8.380 nan 0.000 0.556 3371 A N 0.814 123.603 122.820 -0.051 0.000 2.371 3371 A HA 0.666 4.986 4.320 0.000 0.000 0.257 3371 A C 0.874 178.446 177.584 -0.019 0.000 1.089 3371 A CA 0.193 52.213 52.037 -0.027 0.000 0.794 3371 A CB 0.622 19.645 19.000 0.039 0.000 1.029 3371 A HN 0.463 nan 8.150 nan 0.000 0.488 3372 R N 0.783 121.299 120.500 0.028 0.000 2.690 3372 R HA 0.605 4.945 4.340 0.000 0.000 0.269 3372 R C -2.133 174.195 176.300 0.047 0.000 1.037 3372 R CA -0.927 55.165 56.100 -0.012 0.000 0.877 3372 R CB 0.869 31.185 30.300 0.028 0.000 1.255 3372 R HN 0.455 nan 8.270 nan 0.000 0.467 3373 L N 2.626 123.856 121.223 0.013 0.000 2.296 3373 L HA 0.478 4.818 4.340 0.000 0.000 0.286 3373 L C -0.647 176.292 176.870 0.115 0.000 1.023 3373 L CA -1.031 53.848 54.840 0.066 0.000 0.812 3373 L CB 1.659 43.756 42.059 0.062 0.000 1.223 3373 L HN 0.445 nan 8.230 nan 0.000 0.421 3374 L N 4.832 126.141 121.223 0.143 0.000 2.257 3374 L HA 0.421 4.761 4.340 0.000 0.000 0.290 3374 L C -0.198 176.742 176.870 0.118 0.000 1.044 3374 L CA -0.316 54.642 54.840 0.198 0.000 0.810 3374 L CB 1.111 43.365 42.059 0.326 0.000 1.193 3374 L HN 0.487 nan 8.230 nan 0.000 0.425 3375 M N 2.851 122.441 119.600 -0.016 0.000 2.209 3375 M HA 0.456 4.936 4.480 0.000 0.000 0.355 3375 M C 0.334 176.342 176.300 -0.487 0.000 1.171 3375 M CA -0.338 54.772 55.300 -0.316 0.000 1.069 3375 M CB 1.352 33.713 32.600 -0.398 0.000 1.622 3375 M HN 0.559 nan 8.290 nan 0.000 0.459 3376 G N 3.516 111.902 108.800 -0.690 0.000 2.544 3376 G HA2 0.680 4.640 3.960 0.000 0.000 0.313 3376 G HA3 0.680 4.640 3.960 0.000 0.000 0.313 3376 G C -1.782 172.742 174.900 -0.627 0.000 1.316 3376 G CA -0.251 44.243 45.100 -1.010 0.000 0.944 3376 G HN 0.597 nan 8.290 nan 0.000 0.489 3377 Y N 0.234 120.588 120.300 0.089 0.000 2.485 3377 Y HA 0.578 5.128 4.550 0.000 0.000 0.345 3377 Y C 0.297 176.453 175.900 0.427 0.000 0.998 3377 Y CA -0.933 57.404 58.100 0.396 0.000 1.059 3377 Y CB 2.809 41.628 38.460 0.598 0.000 1.234 3377 Y HN 0.488 nan 8.280 nan 0.000 0.461 3378 E N 2.751 123.285 120.200 0.557 0.000 2.191 3378 E HA 0.424 4.774 4.350 0.000 0.000 0.263 3378 E C -1.872 174.890 176.600 0.270 0.000 0.881 3378 E CA -0.673 55.892 56.400 0.276 0.000 0.757 3378 E CB 1.262 31.151 29.700 0.314 0.000 1.147 3378 E HN 0.585 nan 8.360 nan 0.000 0.414 3379 Y N 1.734 122.037 120.300 0.005 0.000 2.670 3379 Y HA 0.570 5.120 4.550 0.000 0.000 0.334 3379 Y C -1.884 173.972 175.900 -0.074 0.000 1.185 3379 Y CA -1.466 56.540 58.100 -0.157 0.000 1.053 3379 Y CB 1.016 39.232 38.460 -0.407 0.000 1.298 3379 Y HN 0.285 nan 8.280 nan 0.000 0.459 3380 F N 0.811 120.862 119.950 0.168 0.000 2.480 3380 F HA 0.708 5.235 4.527 0.000 0.000 0.329 3380 F C 0.224 176.086 175.800 0.105 0.000 1.091 3380 F CA -0.910 57.135 58.000 0.076 0.000 0.972 3380 F CB 2.518 41.509 39.000 -0.016 0.000 1.150 3380 F HN 0.740 nan 8.300 nan 0.000 0.467 3381 T N 1.048 115.754 114.554 0.253 0.000 2.853 3381 T HA 0.293 4.643 4.350 0.000 0.000 0.311 3381 T C -1.039 173.711 174.700 0.083 0.000 1.307 3381 T CA -0.513 61.687 62.100 0.167 0.000 1.019 3381 T CB 1.560 70.510 68.868 0.137 0.000 1.264 3381 T HN 0.484 nan 8.240 nan 0.000 0.497 3382 S N 2.116 117.862 115.700 0.077 0.000 2.565 3382 S HA 0.387 4.857 4.470 0.000 0.000 0.276 3382 S C 0.363 174.980 174.600 0.029 0.000 1.326 3382 S CA -0.589 57.632 58.200 0.034 0.000 1.045 3382 S CB 0.621 63.843 63.200 0.036 0.000 0.918 3382 S HN 0.660 nan 8.310 nan 0.000 0.505 3383 R N 0.879 121.383 120.500 0.005 0.000 2.726 3383 R HA 0.420 4.760 4.340 0.000 0.000 0.272 3383 R C 1.463 177.776 176.300 0.021 0.000 1.097 3383 R CA 0.987 57.088 56.100 0.002 0.000 1.198 3383 R CB -0.371 29.930 30.300 0.002 0.000 1.114 3383 R HN 0.927 nan 8.270 nan 0.000 0.550 3384 T N -2.202 112.367 114.554 0.025 0.000 12.481 3384 T HA -0.342 4.008 4.350 0.000 0.000 0.418 3384 T C 0.469 175.190 174.700 0.035 0.000 1.450 3384 T CA 2.900 65.018 62.100 0.031 0.000 2.393 3384 T CB -1.918 66.966 68.868 0.027 0.000 2.837 3384 T HN 1.173 nan 8.240 nan 0.000 0.792 3385 E N 0.000 120.223 120.200 0.039 0.000 2.725 3385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 3385 E CA 0.000 nan 56.400 nan 0.000 0.976 3385 E CB 0.000 nan 29.700 nan 0.000 0.812 3385 E HN 0.000 nan 8.360 nan 0.000 0.440