REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1gw8_1_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 T VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3014 A HA 0.000 nan 4.320 nan 0.000 0.244 3014 A C 0.000 177.584 177.584 0.000 0.000 1.274 3014 A CA 0.000 52.038 52.037 0.001 0.000 0.836 3014 A CB 0.000 19.001 19.000 0.001 0.000 0.831 3015 L N 0.724 121.947 121.223 -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 1.792 56.631 54.840 -0.001 0.000 1.011 3015 L CB -2.765 39.294 42.059 -0.001 0.000 1.250 3015 L HN 1.249 nan 8.230 nan 0.000 0.437 3016 R N 0.636 121.135 120.500 -0.001 0.000 2.119 3016 R HA -0.112 4.228 4.340 0.000 0.000 0.222 3016 R C 1.981 178.279 176.300 -0.004 0.000 1.088 3016 R CA 1.593 57.692 56.100 -0.002 0.000 0.984 3016 R CB -1.207 29.092 30.300 -0.000 0.000 0.884 3016 R HN 1.012 nan 8.270 nan 0.000 0.447 3017 N N -0.656 118.041 118.700 -0.005 0.000 2.333 3017 N HA -0.121 4.619 4.740 0.000 0.000 0.178 3017 N C 1.810 177.313 175.510 -0.011 0.000 1.018 3017 N CA 1.200 54.245 53.050 -0.009 0.000 0.882 3017 N CB -0.252 38.230 38.487 -0.009 0.000 0.984 3017 N HN 0.595 nan 8.380 nan 0.000 0.434 3018 Q N -0.041 119.754 119.800 -0.009 0.000 2.124 3018 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 3018 Q C 1.738 177.732 176.000 -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 28.724 28.738 -0.006 0.000 0.901 3018 Q HN 0.620 nan 8.270 nan 0.000 0.429 3019 Q N -0.936 118.860 119.800 -0.007 0.000 2.187 3019 Q HA -0.026 4.314 4.340 0.000 0.000 0.199 3019 Q C 1.940 177.936 176.000 -0.007 0.000 0.957 3019 Q CA 0.911 56.711 55.803 -0.006 0.000 0.857 3019 Q CB 0.041 28.777 28.738 -0.003 0.000 0.929 3019 Q HN 0.372 nan 8.270 nan 0.000 0.453 3020 A N 0.830 123.645 122.820 -0.009 0.000 1.898 3020 A HA -0.152 4.168 4.320 0.000 0.000 0.216 3020 A C 2.054 179.627 177.584 -0.018 0.000 1.181 3020 A CA 1.089 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 2.532 178.818 176.300 -0.023 0.000 1.067 3021 M CA 1.682 56.965 55.300 -0.029 0.000 1.116 3021 M CB -1.465 31.118 32.600 -0.029 0.000 1.348 3021 M HN 0.489 nan 8.290 nan 0.000 0.407 3022 A N 0.084 122.894 122.820 -0.016 0.000 1.902 3022 A HA 0.005 4.325 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 2.077 54.107 52.037 -0.012 0.000 0.623 3022 A CB -0.892 18.104 19.000 -0.008 0.000 0.818 3022 A HN 0.483 nan 8.150 nan 0.000 0.443 3023 A N 0.287 123.102 122.820 -0.008 0.000 1.902 3023 A HA -0.220 4.100 4.320 0.000 0.000 0.217 3023 A C 1.964 179.544 177.584 -0.007 0.000 1.181 3023 A CA 2.138 54.172 52.037 -0.004 0.000 0.623 3023 A CB -0.796 18.203 19.000 -0.002 0.000 0.818 3023 A HN 0.651 nan 8.150 nan 0.000 0.443 3024 N N -0.289 118.403 118.700 -0.014 0.000 2.025 3024 N HA -0.169 4.571 4.740 0.000 0.000 0.194 3024 N C 1.602 177.099 175.510 -0.020 0.000 1.044 3024 N CA 1.763 54.801 53.050 -0.020 0.000 0.851 3024 N CB -0.368 38.099 38.487 -0.035 0.000 1.036 3024 N HN 0.283 nan 8.380 nan 0.000 0.422 3025 L N 1.251 122.460 121.223 -0.023 0.000 2.042 3025 L HA -0.176 4.164 4.340 0.000 0.000 0.210 3025 L C 2.347 179.211 176.870 -0.011 0.000 1.076 3025 L CA 1.859 56.687 54.840 -0.020 0.000 0.749 3025 L CB -1.206 40.841 42.059 -0.019 0.000 0.893 3025 L HN 0.433 nan 8.230 nan 0.000 0.432 3026 Q N -0.939 118.856 119.800 -0.007 0.000 2.084 3026 Q HA -0.216 4.124 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 1.860 57.662 55.803 -0.002 0.000 0.844 3026 Q CB -0.211 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 1.536 53.577 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 -0.317 120.179 120.500 -0.006 0.000 2.073 3028 R HA -0.199 4.141 4.340 0.000 0.000 0.234 3028 R C 2.347 178.643 176.300 -0.007 0.000 1.134 3028 R CA 1.957 58.051 56.100 -0.009 0.000 0.952 3028 R CB -0.394 29.897 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 2.233 178.233 176.000 -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 -0.187 120.385 120.570 0.003 0.000 2.252 3030 I HA -0.234 3.936 4.170 0.000 0.000 0.245 3030 I C 2.209 178.331 176.117 0.007 0.000 1.102 3030 I CA 0.683 61.989 61.300 0.009 0.000 1.385 3030 I CB -0.178 37.831 38.000 0.015 0.000 1.064 3030 I HN 0.040 nan 8.210 nan 0.000 0.414 3031 V N 1.196 121.111 119.914 0.002 0.000 2.287 3031 V HA -0.288 3.832 4.120 0.000 0.000 0.248 3031 V C 2.392 178.481 176.094 -0.008 0.000 1.053 3031 V CA 1.797 64.093 62.300 -0.007 0.000 1.027 3031 V CB -0.438 31.377 31.823 -0.015 0.000 0.646 3031 V HN 0.362 nan 8.190 nan 0.000 0.447 3032 L N -0.588 120.628 121.223 -0.011 0.000 2.083 3032 L HA -0.230 4.110 4.340 0.000 0.000 0.209 3032 L C 2.660 179.522 176.870 -0.013 0.000 1.083 3032 L CA 1.639 56.467 54.840 -0.020 0.000 0.752 3032 L CB -0.577 41.469 42.059 -0.022 0.000 0.899 3032 L HN 0.415 nan 8.230 nan 0.000 0.433 3033 Q N -0.897 118.903 119.800 -0.001 0.000 2.187 3033 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 3033 Q C 2.159 178.174 176.000 0.025 0.000 0.957 3033 Q CA 0.800 56.608 55.803 0.009 0.000 0.857 3033 Q CB 0.061 28.804 28.738 0.009 0.000 0.929 3033 Q HN 0.507 nan 8.270 nan 0.000 0.453 3034 Q N 0.457 120.273 119.800 0.025 0.000 2.204 3034 Q HA 0.038 4.378 4.340 0.000 0.000 0.198 3034 Q C 1.308 177.340 176.000 0.053 0.000 0.946 3034 Q CA 0.559 56.385 55.803 0.038 0.000 0.859 3034 Q CB 0.207 28.964 28.738 0.032 0.000 0.946 3034 Q HN 0.258 nan 8.270 nan 0.000 0.474 3035 S N -0.502 115.222 115.700 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 -0.382 0.000 1.216 3037 P CA 0.129 62.979 63.100 -0.418 0.000 0.776 3037 P CB 1.947 33.397 31.700 -0.416 0.000 0.881 3038 V N 4.382 124.037 119.914 -0.431 0.000 2.841 3038 V HA 0.477 4.597 4.120 0.000 0.000 0.310 3038 V C -0.041 175.812 176.094 -0.402 0.000 1.090 3038 V CA -0.738 61.304 62.300 -0.430 0.000 0.930 3038 V CB 2.472 33.874 31.823 -0.701 0.000 1.014 3038 V HN 0.534 nan 8.190 nan 0.000 0.425 3039 I N 4.206 124.690 120.570 -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 61.220 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 0.933 nan 8.210 nan 0.000 0.431 3040 Q N 5.769 125.760 119.800 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 0.377 0.000 1.068 3040 Q CA -0.939 55.082 55.803 0.364 0.000 0.816 3040 Q CB 1.931 30.851 28.738 0.304 0.000 1.387 3040 Q HN 0.672 nan 8.270 nan 0.000 0.413 3041 Q N 1.197 121.145 119.800 0.246 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 0.134 55.853 55.803 -0.140 0.000 0.900 3041 Q CB 1.085 29.670 28.738 -0.255 0.000 1.221 3041 Q HN 0.707 nan 8.270 nan 0.000 0.396 3042 V N 2.958 122.870 119.914 -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 32.326 31.823 0.130 0.000 0.857 3042 V HN 0.926 nan 8.190 nan 0.000 0.478 3043 E N -1.071 119.135 120.200 0.009 0.000 2.388 3043 E HA 0.407 4.757 4.350 0.000 0.000 0.282 3043 E C -1.653 174.924 176.600 -0.037 0.000 1.026 3043 E CA -0.344 56.068 56.400 0.019 0.000 0.820 3043 E CB 2.217 31.983 29.700 0.110 0.000 1.226 3043 E HN 0.158 nan 8.360 nan 0.000 0.432 3044 T N 2.562 117.026 114.554 -0.150 0.000 2.912 3044 T HA 0.496 4.846 4.350 0.000 0.000 0.299 3044 T C -1.296 173.123 174.700 -0.467 0.000 1.052 3044 T CA -0.626 61.282 62.100 -0.319 0.000 0.996 3044 T CB 1.749 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 0.783 120.091 119.800 -0.820 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 -0.461 0.000 1.029 3045 Q CA -0.603 54.836 55.803 -0.607 0.000 0.848 3045 Q CB 2.142 30.474 28.738 -0.677 0.000 1.390 3045 Q HN 0.646 nan 8.270 nan 0.000 0.401 3046 T N 3.611 118.046 114.554 -0.198 0.000 2.824 3046 T HA 0.772 5.122 4.350 0.000 0.000 0.282 3046 T C -1.222 173.477 174.700 -0.001 0.000 0.993 3046 T CA -0.371 61.624 62.100 -0.176 0.000 0.967 3046 T CB 0.359 69.133 68.868 -0.158 0.000 0.960 3046 T HN 0.457 nan 8.240 nan 0.000 0.441 3047 F N -0.202 119.639 119.950 -0.182 0.000 2.779 3047 F HA 0.732 5.259 4.527 0.000 0.000 0.316 3047 F C -1.593 174.173 175.800 -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 0.038 0.000 1.348 3047 F HN 0.301 nan 8.300 nan 0.000 0.467 3048 D N 2.286 122.767 120.400 0.135 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 0.256 0.000 1.071 3048 D CA -2.615 51.421 54.000 0.059 0.000 0.832 3048 D CB 2.243 43.098 40.800 0.090 0.000 1.086 3048 D HN 0.324 nan 8.370 nan 0.000 0.504 3049 P HA -0.078 nan 4.420 nan 0.000 0.228 3049 P C 0.880 178.302 177.300 0.203 0.000 1.151 3049 P CA 0.416 63.681 63.100 0.275 0.000 0.770 3049 P CB 0.262 31.981 31.700 0.031 0.000 0.786 3050 A N -0.096 122.832 122.820 0.179 0.000 2.066 3050 A HA -0.110 4.210 4.320 0.000 0.000 0.218 3050 A C 2.067 179.724 177.584 0.121 0.000 1.157 3050 A CA 1.135 53.263 52.037 0.151 0.000 0.670 3050 A CB -0.737 18.348 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 0.753 176.303 175.510 0.066 0.000 1.024 3051 N CA 0.656 53.767 53.050 0.102 0.000 0.869 3051 N CB 0.114 38.672 38.487 0.119 0.000 1.022 3051 N HN 0.517 nan 8.380 nan 0.000 0.433 3052 R N -0.173 120.387 120.500 0.101 0.000 2.561 3052 R HA 0.230 4.570 4.340 0.000 0.000 0.266 3052 R C -0.681 175.618 176.300 -0.002 0.000 1.091 3052 R CA -0.044 56.021 56.100 -0.058 0.000 0.927 3052 R CB 0.888 31.046 30.300 -0.236 0.000 1.240 3052 R HN 0.098 nan 8.270 nan 0.000 0.449 3053 S N 1.075 116.746 115.700 -0.048 0.000 2.733 3053 S HA 0.208 4.678 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 0.207 0.000 1.045 3053 S HN 0.165 nan 8.310 nan 0.000 0.586 3054 V N 2.712 122.499 119.914 -0.212 0.000 2.417 3054 V HA 0.643 4.763 4.120 0.000 0.000 0.291 3054 V C -1.337 174.452 176.094 -0.509 0.000 1.024 3054 V CA -0.553 61.636 62.300 -0.186 0.000 0.861 3054 V CB 0.961 32.684 31.823 -0.167 0.000 0.985 3054 V HN 0.405 nan 8.190 nan 0.000 0.436 3055 F N 2.084 121.973 119.950 -0.103 0.000 2.556 3055 F HA 0.474 5.001 4.527 0.000 0.000 0.314 3055 F C -0.069 175.651 175.800 -0.133 0.000 1.106 3055 F CA -0.837 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 3.159 123.579 120.400 0.034 0.000 2.427 3056 D HA 0.361 5.001 4.640 0.000 0.000 0.226 3056 D C -0.969 175.332 176.300 0.002 0.000 1.076 3056 D CA -0.070 53.914 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 3.304 123.193 119.914 -0.042 0.000 2.546 3057 V HA 0.295 4.415 4.120 0.000 0.000 0.284 3057 V C 0.795 176.849 176.094 -0.067 0.000 1.050 3057 V CA -0.332 61.948 62.300 -0.032 0.000 0.981 3057 V CB 1.667 33.434 31.823 -0.093 0.000 0.990 3057 V HN 0.504 nan 8.190 nan 0.000 0.474 3058 T N 6.737 121.276 114.554 -0.025 0.000 2.929 3058 T HA 0.359 4.709 4.350 0.000 0.000 0.331 3058 T C -2.368 172.336 174.700 0.006 0.000 1.120 3058 T CA -0.901 61.184 62.100 -0.026 0.000 0.973 3058 T CB 0.987 69.848 68.868 -0.013 0.000 1.036 3058 T HN 0.481 nan 8.240 nan 0.000 0.502 3059 P HA 0.310 nan 4.420 nan 0.000 0.269 3059 P C -0.535 176.822 177.300 0.095 0.000 1.215 3059 P CA -0.434 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 2.296 125.167 122.820 0.085 0.000 2.388 3060 A HA 0.221 4.541 4.320 0.000 0.000 0.257 3060 A C 0.144 177.709 177.584 -0.032 0.000 1.095 3060 A CA -0.276 51.767 52.037 0.009 0.000 0.791 3060 A CB -0.287 18.698 19.000 -0.025 0.000 1.029 3060 A HN 0.465 nan 8.150 nan 0.000 0.489 3061 N N 1.210 119.888 118.700 -0.036 0.000 2.602 3061 N HA 0.427 5.167 4.740 0.000 0.000 0.238 3061 N C -1.245 174.206 175.510 -0.097 0.000 1.084 3061 N CA 0.173 53.198 53.050 -0.041 0.000 0.952 3061 N CB 0.898 39.381 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 0.828 176.782 176.094 -0.234 0.000 1.097 3062 V CA -0.655 61.489 62.300 -0.260 0.000 0.906 3062 V CB 1.330 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 4.908 113.658 108.800 -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 45.562 45.100 -0.030 0.000 0.959 3063 G HN 0.842 nan 8.290 nan 0.000 0.548 3064 I N 0.653 121.237 120.570 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 -0.640 60.674 61.300 0.024 0.000 1.302 3064 I CB 1.463 39.468 38.000 0.007 0.000 1.401 3064 I HN 0.302 nan 8.210 nan 0.000 0.485 3065 V N 7.596 127.517 119.914 0.013 0.000 2.432 3065 V HA 0.172 4.292 4.120 0.000 0.000 0.275 3065 V C 0.807 176.839 176.094 -0.104 0.000 1.043 3065 V CA -0.304 61.968 62.300 -0.047 0.000 0.925 3065 V CB 1.230 32.987 31.823 -0.110 0.000 0.985 3065 V HN 0.743 nan 8.190 nan 0.000 0.466 3066 K N 2.790 123.127 120.400 -0.104 0.000 2.308 3066 K HA 0.484 4.804 4.320 0.000 0.000 0.197 3066 K C 0.801 177.300 176.600 -0.169 0.000 1.049 3066 K CA 0.706 56.971 56.287 -0.037 0.000 0.991 3066 K CB 0.668 33.233 32.500 0.109 0.000 0.836 3066 K HN 0.934 nan 8.250 nan 0.000 0.500 3067 G N -0.170 108.301 108.800 -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 -1.952 172.068 174.900 -1.466 0.000 1.300 3067 G CA -1.061 43.358 45.100 -1.135 0.000 0.843 3067 G HN -0.012 nan 8.290 nan 0.000 0.527 3068 F N -0.513 118.849 119.950 -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 -0.848 56.922 58.000 -0.384 0.000 0.911 3068 F CB 2.353 41.227 39.000 -0.211 0.000 1.179 3068 F HN 0.423 nan 8.300 nan 0.000 0.443 3069 L N 4.373 125.868 121.223 0.452 0.000 2.272 3069 L HA 0.719 5.059 4.340 0.000 0.000 0.289 3069 L C -1.047 176.160 176.870 0.562 0.000 1.032 3069 L CA -0.516 54.716 54.840 0.653 0.000 0.810 3069 L CB 1.147 43.626 42.059 0.700 0.000 1.205 3069 L HN 0.409 nan 8.230 nan 0.000 0.422 3070 V N 5.642 125.849 119.914 0.487 0.000 2.357 3070 V HA 0.391 4.511 4.120 0.000 0.000 0.284 3070 V C 0.057 176.313 176.094 0.271 0.000 1.018 3070 V CA -0.822 61.697 62.300 0.366 0.000 0.841 3070 V CB 1.168 33.142 31.823 0.251 0.000 0.991 3070 V HN 0.722 nan 8.190 nan 0.000 0.437 3071 K N 4.285 124.756 120.400 0.118 0.000 2.201 3071 K HA 0.676 4.996 4.320 0.000 0.000 0.278 3071 K C -1.325 175.242 176.600 -0.055 0.000 1.027 3071 K CA -0.342 55.727 56.287 -0.363 0.000 0.909 3071 K CB 1.483 33.837 32.500 -0.243 0.000 1.062 3071 K HN 0.498 nan 8.250 nan 0.000 0.465 3072 V N 3.667 123.533 119.914 -0.081 0.000 2.577 3072 V HA 0.334 4.454 4.120 0.000 0.000 0.303 3072 V C -0.284 175.825 176.094 0.026 0.000 1.042 3072 V CA -0.827 61.537 62.300 0.107 0.000 0.872 3072 V CB 1.642 33.659 31.823 0.322 0.000 0.998 3072 V HN 1.022 nan 8.190 nan 0.000 0.423 3073 T N 1.373 115.929 114.554 0.003 0.000 2.924 3073 T HA 0.977 5.327 4.350 0.000 0.000 0.291 3073 T C -0.465 174.233 174.700 -0.003 0.000 1.045 3073 T CA -0.447 61.657 62.100 0.007 0.000 1.015 3073 T CB 2.365 71.227 68.868 -0.010 0.000 1.103 3073 T HN 1.452 nan 8.240 nan 0.000 0.496 3074 A N 0.361 123.215 122.820 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 1.093 20.259 19.000 0.277 0.000 1.279 3074 A HN 1.733 nan 8.150 nan 0.000 0.411 3075 A N 0.996 123.901 122.820 0.142 0.000 2.330 3075 A HA 0.798 5.118 4.320 0.000 0.000 0.313 3075 A C -0.907 176.751 177.584 0.123 0.000 1.124 3075 A CA -0.293 51.802 52.037 0.097 0.000 0.774 3075 A CB 0.516 19.543 19.000 0.045 0.000 1.198 3075 A HN 0.797 nan 8.150 nan 0.000 0.465 3076 I N 1.593 122.186 120.570 0.037 0.000 2.545 3076 I HA 0.428 4.598 4.170 0.000 0.000 0.292 3076 I C -0.326 175.712 176.117 -0.131 0.000 1.040 3076 I CA -0.292 60.972 61.300 -0.059 0.000 1.068 3076 I CB 2.730 40.668 38.000 -0.104 0.000 1.251 3076 I HN 0.577 nan 8.210 nan 0.000 0.424 3077 T N 4.003 118.458 114.554 -0.165 0.000 2.807 3077 T HA 0.273 4.623 4.350 0.000 0.000 0.279 3077 T C -0.395 174.150 174.700 -0.257 0.000 0.993 3077 T CA -0.602 61.395 62.100 -0.171 0.000 0.970 3077 T CB 1.148 69.956 68.868 -0.101 0.000 0.950 3077 T HN 0.417 nan 8.240 nan 0.000 0.441 3078 N N 2.760 121.319 118.700 -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 0.407 38.760 38.487 -0.224 0.000 1.122 3078 N HN 0.368 nan 8.380 nan 0.000 0.509 3079 N N 1.502 120.131 118.700 -0.119 0.000 2.276 3079 N HA -0.039 4.701 4.740 0.000 0.000 0.212 3079 N C -0.314 175.166 175.510 -0.050 0.000 1.127 3079 N CA -0.109 52.895 53.050 -0.076 0.000 0.834 3079 N CB -0.188 38.251 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 0.389 56.388 56.048 -0.082 0.000 1.420 3080 H CB 1.092 30.804 29.762 -0.084 0.000 1.400 3080 H HN 0.131 nan 8.280 nan 0.000 0.604 3081 A N 2.575 125.187 122.820 -0.346 0.000 1.969 3081 A HA -0.125 4.195 4.320 0.000 0.000 0.218 3081 A C 1.867 179.466 177.584 0.024 0.000 1.169 3081 A CA 2.167 54.116 52.037 -0.146 0.000 0.635 3081 A CB -0.454 18.424 19.000 -0.203 0.000 0.810 3081 A HN 0.889 nan 8.150 nan 0.000 0.445 3082 T N -5.199 109.497 114.554 0.238 0.000 3.074 3082 T HA 0.178 4.528 4.350 0.000 0.000 0.258 3082 T C 0.159 174.939 174.700 0.134 0.000 0.891 3082 T CA -0.260 61.941 62.100 0.169 0.000 0.867 3082 T CB 0.117 69.055 68.868 0.116 0.000 1.261 3082 T HN 0.199 nan 8.240 nan 0.000 0.537 3083 E N 1.742 122.028 120.200 0.144 0.000 2.242 3083 E HA 0.744 5.094 4.350 0.000 0.000 0.275 3083 E C -0.185 176.327 176.600 -0.146 0.000 1.002 3083 E CA -0.420 55.890 56.400 -0.149 0.000 0.841 3083 E CB 1.935 31.364 29.700 -0.453 0.000 1.109 3083 E HN 0.539 nan 8.360 nan 0.000 0.394 3084 A N 1.685 124.441 122.820 -0.107 0.000 2.239 3084 A HA 0.684 5.004 4.320 0.000 0.000 0.303 3084 A C -0.112 177.419 177.584 -0.089 0.000 1.114 3084 A CA -0.545 51.440 52.037 -0.087 0.000 0.871 3084 A CB 0.742 19.714 19.000 -0.047 0.000 1.201 3084 A HN 0.400 nan 8.150 nan 0.000 0.506 3085 V N -4.017 115.861 119.914 -0.059 0.000 3.007 3085 V HA 0.936 5.056 4.120 0.000 0.000 0.311 3085 V C -0.224 175.955 176.094 0.142 0.000 1.120 3085 V CA -0.333 61.982 62.300 0.024 0.000 0.980 3085 V CB 1.099 32.933 31.823 0.019 0.000 1.033 3085 V HN 1.856 nan 8.190 nan 0.000 0.429 3086 A N 2.760 125.717 122.820 0.228 0.000 2.413 3086 A HA 0.856 5.176 4.320 0.000 0.000 0.307 3086 A C -0.549 177.159 177.584 0.207 0.000 1.087 3086 A CA -0.978 51.203 52.037 0.240 0.000 0.750 3086 A CB 1.456 20.516 19.000 0.099 0.000 1.296 3086 A HN 1.082 nan 8.150 nan 0.000 0.423 3087 L N 1.834 123.075 121.223 0.031 0.000 2.514 3087 L HA 0.151 4.491 4.340 0.000 0.000 0.280 3087 L C 1.487 178.261 176.870 -0.160 0.000 1.223 3087 L CA 0.103 54.763 54.840 -0.301 0.000 0.864 3087 L CB 0.509 42.422 42.059 -0.243 0.000 1.118 3087 L HN 0.997 nan 8.230 nan 0.000 0.494 3088 T N -2.002 112.429 114.554 -0.206 0.000 2.770 3088 T HA 0.091 4.441 4.350 0.000 0.000 0.281 3088 T C 0.741 175.359 174.700 -0.137 0.000 0.981 3088 T CA -0.792 61.203 62.100 -0.175 0.000 0.955 3088 T CB 0.793 69.523 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 1.522 177.978 176.300 0.260 0.000 0.980 3089 D CA 1.044 55.033 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 0.468 nan 8.370 nan 0.000 0.472 3090 F N 0.196 120.083 119.950 -0.104 0.000 2.473 3090 F HA 0.241 4.768 4.527 0.000 0.000 0.294 3090 F C 2.201 177.954 175.800 -0.079 0.000 1.103 3090 F CA 0.432 58.407 58.000 -0.041 0.000 1.442 3090 F CB -0.946 38.006 39.000 -0.080 0.000 1.097 3090 F HN -0.019 nan 8.300 nan 0.000 0.547 3091 G N 2.639 111.465 108.800 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 -1.112 173.761 174.900 -0.044 0.000 1.271 3091 G CA 0.577 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 0.045 nan 4.420 nan 0.000 0.225 3092 P C 1.660 178.971 177.300 0.018 0.000 1.148 3092 P CA 2.313 65.419 63.100 0.010 0.000 0.779 3092 P CB -0.378 31.321 31.700 -0.002 0.000 0.780 3093 A N 0.184 122.973 122.820 -0.052 0.000 2.121 3093 A HA -0.115 4.205 4.320 0.000 0.000 0.218 3093 A C 1.877 179.594 177.584 0.220 0.000 1.154 3093 A CA 1.108 53.112 52.037 -0.055 0.000 0.679 3093 A CB -1.033 17.829 19.000 -0.230 0.000 0.795 3093 A HN 0.127 nan 8.150 nan 0.000 0.458 3094 N N -0.361 118.467 118.700 0.213 0.000 2.314 3094 N HA 0.174 4.914 4.740 0.000 0.000 0.200 3094 N C 1.102 176.753 175.510 0.235 0.000 1.135 3094 N CA 0.099 53.297 53.050 0.246 0.000 0.835 3094 N CB 0.030 38.645 38.487 0.214 0.000 0.989 3094 N HN 0.482 nan 8.380 nan 0.000 0.478 3095 L N -0.298 121.096 121.223 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 0.803 55.842 54.840 0.331 0.000 0.763 3095 L CB 0.194 42.471 42.059 0.362 0.000 0.908 3095 L HN -0.116 nan 8.230 nan 0.000 0.437 3096 V N 0.000 120.011 119.914 0.161 0.000 2.370 3096 V HA 0.121 4.241 4.120 0.000 0.000 0.283 3096 V C 0.557 176.557 176.094 -0.157 0.000 1.023 3096 V CA -0.525 61.645 62.300 -0.216 0.000 0.857 3096 V CB 1.678 33.067 31.823 -0.722 0.000 0.985 3096 V HN 0.183 nan 8.190 nan 0.000 0.443 3097 Q N 3.570 123.289 119.800 -0.134 0.000 2.123 3097 Q HA 0.200 4.540 4.340 0.000 0.000 0.196 3097 Q C 0.452 176.360 176.000 -0.153 0.000 0.958 3097 Q CA 1.018 56.785 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 -0.756 119.602 120.500 -0.236 0.000 2.707 3098 R HA 0.616 4.956 4.340 0.000 0.000 0.272 3098 R C -1.399 174.710 176.300 -0.320 0.000 1.011 3098 R CA -0.483 55.468 56.100 -0.248 0.000 0.893 3098 R CB 2.375 32.580 30.300 -0.160 0.000 1.233 3098 R HN -0.181 nan 8.270 nan 0.000 0.464 3099 V N 3.222 122.955 119.914 -0.301 0.000 2.686 3099 V HA 0.577 4.697 4.120 0.000 0.000 0.306 3099 V C -1.028 174.934 176.094 -0.221 0.000 1.065 3099 V CA -0.742 61.376 62.300 -0.303 0.000 0.894 3099 V CB 2.082 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 4.684 125.143 120.570 -0.184 0.000 2.569 3100 I HA 0.491 4.661 4.170 0.000 0.000 0.290 3100 I C -1.163 174.871 176.117 -0.139 0.000 1.088 3100 I CA -0.524 60.671 61.300 -0.174 0.000 1.047 3100 I CB 1.973 39.885 38.000 -0.147 0.000 1.237 3100 I HN 0.638 nan 8.210 nan 0.000 0.421 3101 Y N 6.104 126.220 120.300 -0.307 0.000 2.393 3101 Y HA 0.714 5.264 4.550 0.000 0.000 0.341 3101 Y C -1.731 173.998 175.900 -0.286 0.000 0.988 3101 Y CA -0.847 57.111 58.100 -0.237 0.000 1.078 3101 Y CB 1.343 39.673 38.460 -0.216 0.000 1.203 3101 Y HN 0.464 nan 8.280 nan 0.000 0.453 3102 Y N 4.131 123.874 120.300 -0.927 0.000 2.425 3102 Y HA 0.306 4.856 4.550 0.000 0.000 0.344 3102 Y C -0.245 175.087 175.900 -0.946 0.000 0.969 3102 Y CA -1.177 56.562 58.100 -0.602 0.000 1.052 3102 Y CB 1.311 39.579 38.460 -0.320 0.000 1.215 3102 Y HN 0.715 nan 8.280 nan 0.000 0.451 3103 D N 2.263 122.514 120.400 -0.249 0.000 2.478 3103 D HA 0.253 4.893 4.640 0.000 0.000 0.269 3103 D C -2.196 174.097 176.300 -0.013 0.000 1.232 3103 D CA -2.230 51.721 54.000 -0.082 0.000 1.059 3103 D CB 0.242 41.179 40.800 0.228 0.000 1.104 3103 D HN 0.164 nan 8.370 nan 0.000 0.566 3104 P HA -0.069 nan 4.420 nan 0.000 0.221 3104 P C 0.076 177.394 177.300 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 0.386 176.719 176.300 0.055 0.000 1.072 3105 D CA 0.102 54.134 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 1.098 119.830 118.700 0.054 0.000 2.741 3106 N HA -0.228 4.512 4.740 0.000 0.000 0.250 3106 N C -0.325 175.301 175.510 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 37.568 38.487 -0.011 0.000 1.090 3106 N HN 0.164 nan 8.380 nan 0.000 0.558 3107 Q N 1.046 120.957 119.800 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 -0.289 55.617 55.803 0.172 0.000 0.933 3107 Q CB 0.752 29.566 28.738 0.127 0.000 1.189 3107 Q HN 0.300 nan 8.270 nan 0.000 0.417 3108 R N 3.952 124.502 120.500 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 0.007 0.000 1.077 3108 R CA 0.072 56.079 56.100 -0.154 0.000 1.034 3108 R CB 0.422 30.536 30.300 -0.309 0.000 0.993 3108 R HN 0.885 nan 8.270 nan 0.000 0.459 3109 H N 0.902 119.912 119.070 -0.100 0.000 4.873 3109 H HA 0.147 4.703 4.556 0.000 0.000 0.150 3109 H C 0.059 175.293 175.328 -0.156 0.000 1.395 3109 H CA -0.458 55.559 56.048 -0.052 0.000 0.838 3109 H CB 0.144 29.951 29.762 0.075 0.000 1.471 3109 H HN 0.435 nan 8.280 nan 0.000 0.374 3110 T N 1.377 115.923 114.554 -0.014 0.000 2.940 3110 T HA 0.088 4.438 4.350 0.000 0.000 0.309 3110 T C 0.083 174.697 174.700 -0.144 0.000 1.056 3110 T CA 0.519 62.528 62.100 -0.152 0.000 1.137 3110 T CB 0.319 69.056 68.868 -0.217 0.000 0.976 3110 T HN 0.419 nan 8.240 nan 0.000 0.547 3111 E N 1.773 121.891 120.200 -0.135 0.000 2.542 3111 E HA 0.440 4.790 4.350 0.000 0.000 0.298 3111 E C -0.870 175.669 176.600 -0.101 0.000 0.980 3111 E CA -0.493 55.830 56.400 -0.129 0.000 0.792 3111 E CB 1.035 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 1.163 115.629 114.554 -0.147 0.000 2.665 3112 T HA 0.470 4.820 4.350 0.000 0.000 0.303 3112 T C -0.991 173.552 174.700 -0.261 0.000 1.334 3112 T CA -0.158 61.847 62.100 -0.157 0.000 1.011 3112 T CB 1.011 69.841 68.868 -0.063 0.000 1.573 3112 T HN 0.459 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 0.879 63.516 63.200 -0.939 0.000 0.944 3113 S HN 1.078 nan 8.310 nan 0.000 0.536 3114 G N 1.212 109.800 108.800 -0.353 0.000 2.440 3114 G HA2 -0.186 3.774 3.960 0.000 0.000 0.218 3114 G HA3 -0.186 3.774 3.960 0.000 0.000 0.218 3114 G C 1.325 176.208 174.900 -0.030 0.000 1.154 3114 G CA 0.804 45.763 45.100 -0.235 0.000 0.767 3114 G HN 0.960 nan 8.290 nan 0.000 0.552 3115 W N 0.204 121.461 121.300 -0.072 0.000 2.363 3115 W HA -0.048 4.612 4.660 0.000 0.000 0.296 3115 W C 1.800 178.013 176.519 -0.509 0.000 1.212 3115 W CA 0.887 57.995 57.345 -0.396 0.000 1.260 3115 W CB -1.086 28.102 29.460 -0.453 0.000 1.131 3115 W HN 0.425 nan 8.180 nan 0.000 0.530 3116 H N 1.165 119.803 119.070 -0.719 0.000 2.357 3116 H HA -0.172 4.384 4.556 0.000 0.000 0.301 3116 H C 2.359 177.557 175.328 -0.217 0.000 1.082 3116 H CA 1.737 57.513 56.048 -0.453 0.000 1.342 3116 H CB -0.068 29.227 29.762 -0.778 0.000 1.389 3116 H HN 0.118 nan 8.280 nan 0.000 0.511 3117 L N 0.964 121.952 121.223 -0.391 0.000 2.042 3117 L HA -0.195 4.145 4.340 0.000 0.000 0.210 3117 L C 2.555 179.322 176.870 -0.172 0.000 1.076 3117 L CA 2.367 57.016 54.840 -0.318 0.000 0.749 3117 L CB -1.066 40.871 42.059 -0.203 0.000 0.893 3117 L HN 0.358 nan 8.230 nan 0.000 0.432 3118 H N -1.005 117.979 119.070 -0.144 0.000 2.353 3118 H HA -0.187 4.369 4.556 0.000 0.000 0.300 3118 H C 1.915 177.215 175.328 -0.046 0.000 1.090 3118 H CA 2.229 58.186 56.048 -0.152 0.000 1.327 3118 H CB -0.564 29.080 29.762 -0.197 0.000 1.383 3118 H HN 0.470 nan 8.280 nan 0.000 0.508 3119 F N -0.763 119.068 119.950 -0.198 0.000 2.216 3119 F HA -0.157 4.370 4.527 0.000 0.000 0.300 3119 F C 2.522 178.250 175.800 -0.121 0.000 1.085 3119 F CA 0.549 58.479 58.000 -0.116 0.000 1.326 3119 F CB -0.033 38.941 39.000 -0.043 0.000 1.027 3119 F HN 0.085 nan 8.300 nan 0.000 0.497 3120 V N 0.260 120.163 119.914 -0.018 0.000 2.453 3120 V HA -0.284 3.836 4.120 0.000 0.000 0.247 3120 V C 1.645 177.679 176.094 -0.100 0.000 1.048 3120 V CA 1.961 64.234 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 -0.266 118.283 118.700 -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 1.817 54.592 53.050 -0.459 0.000 0.853 3121 N CB -0.212 37.571 38.487 -1.174 0.000 1.008 3121 N HN 0.414 nan 8.380 nan 0.000 0.424 3122 T N 0.565 115.016 114.554 -0.171 0.000 2.708 3122 T HA -0.090 4.260 4.350 0.000 0.000 0.266 3122 T C 2.062 176.733 174.700 -0.048 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 1.918 124.717 122.820 -0.035 0.000 1.908 3123 A HA -0.146 4.174 4.320 0.000 0.000 0.218 3123 A C 2.265 179.841 177.584 -0.012 0.000 1.181 3123 A CA 1.367 53.348 52.037 -0.093 0.000 0.627 3123 A CB -0.324 18.564 19.000 -0.187 0.000 0.818 3123 A HN 0.303 nan 8.150 nan 0.000 0.445 3124 K N -0.585 119.812 120.400 -0.005 0.000 2.217 3124 K HA -0.139 4.181 4.320 0.000 0.000 0.202 3124 K C 2.121 178.705 176.600 -0.027 0.000 1.051 3124 K CA 1.410 57.683 56.287 -0.023 0.000 0.952 3124 K CB -0.201 32.258 32.500 -0.068 0.000 0.736 3124 K HN 0.772 nan 8.250 nan 0.000 0.453 3125 Q N -0.008 119.794 119.800 0.004 0.000 2.187 3125 Q HA -0.068 4.272 4.340 0.000 0.000 0.199 3125 Q C 0.677 176.666 176.000 -0.019 0.000 0.957 3125 Q CA 1.302 57.114 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 0.422 nan 8.270 nan 0.000 0.453 3126 G N -0.566 108.216 108.800 -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 0.171 45.245 45.100 -0.043 0.000 0.660 3126 G HN 0.840 nan 8.290 nan 0.000 0.525 3127 A N -1.273 121.504 122.820 -0.072 0.000 2.586 3127 A HA 0.790 5.110 4.320 0.000 0.000 0.291 3127 A C -3.157 174.394 177.584 -0.056 0.000 1.062 3127 A CA -0.747 51.240 52.037 -0.084 0.000 0.666 3127 A CB 0.714 19.674 19.000 -0.066 0.000 1.281 3127 A HN 0.156 nan 8.150 nan 0.000 0.421 3128 P HA 0.130 nan 4.420 nan 0.000 0.258 3128 P C -0.350 177.015 177.300 0.107 0.000 1.172 3128 P CA 0.517 63.633 63.100 0.026 0.000 0.762 3128 P CB -0.146 31.570 31.700 0.027 0.000 0.764 3129 F N 5.759 125.715 119.950 0.010 0.000 2.580 3129 F HA -0.069 4.458 4.527 0.000 0.000 0.398 3129 F C 1.173 176.994 175.800 0.036 0.000 1.023 3129 F CA 0.374 58.389 58.000 0.025 0.000 1.188 3129 F CB -0.424 38.615 39.000 0.066 0.000 1.005 3129 F HN 0.274 nan 8.300 nan 0.000 0.546 3130 L N 3.578 124.444 121.223 -0.596 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 0.550 55.056 54.840 -0.557 0.000 0.968 3130 L CB -2.379 39.198 42.059 -0.803 0.000 1.933 3130 L HN 0.726 nan 8.230 nan 0.000 0.976 3131 S N -1.844 113.774 115.700 -0.137 0.000 2.645 3131 S HA 0.514 4.984 4.470 0.000 0.000 0.266 3131 S C 0.324 174.876 174.600 -0.080 0.000 1.258 3131 S CA -0.051 58.107 58.200 -0.070 0.000 0.990 3131 S CB 2.184 65.369 63.200 -0.025 0.000 0.967 3131 S HN 0.273 nan 8.310 nan 0.000 0.556 3132 S N 1.438 117.107 115.700 -0.051 0.000 2.474 3132 S HA 0.405 4.875 4.470 0.000 0.000 0.321 3132 S C -0.357 174.222 174.600 -0.035 0.000 1.080 3132 S CA -0.830 57.343 58.200 -0.044 0.000 1.106 3132 S CB 0.002 63.188 63.200 -0.024 0.000 0.984 3132 S HN 0.774 nan 8.310 nan 0.000 0.464 3133 M N 5.884 125.456 119.600 -0.047 0.000 2.238 3133 M HA 0.369 4.849 4.480 0.000 0.000 0.347 3133 M C -1.063 175.218 176.300 -0.032 0.000 1.173 3133 M CA -0.255 55.019 55.300 -0.044 0.000 1.147 3133 M CB 0.639 33.203 32.600 -0.061 0.000 1.547 3133 M HN 0.423 nan 8.290 nan 0.000 0.455 3134 V N 4.717 124.618 119.914 -0.023 0.000 2.498 3134 V HA 0.468 4.588 4.120 0.000 0.000 0.279 3134 V C 0.441 176.524 176.094 -0.017 0.000 1.048 3134 V CA -0.219 62.074 62.300 -0.011 0.000 0.967 3134 V CB 0.996 32.817 31.823 -0.004 0.000 0.988 3134 V HN 1.022 nan 8.190 nan 0.000 0.473 3135 T N -0.087 114.461 114.554 -0.011 0.000 2.838 3135 T HA 0.353 4.703 4.350 0.000 0.000 0.292 3135 T C 0.271 174.973 174.700 0.003 0.000 1.113 3135 T CA -0.263 61.828 62.100 -0.016 0.000 1.008 3135 T CB 1.909 70.753 68.868 -0.041 0.000 1.259 3135 T HN 0.619 nan 8.240 nan 0.000 0.520 3136 D N -0.131 120.270 120.400 0.002 0.000 2.328 3136 D HA 0.083 4.723 4.640 0.000 0.000 0.226 3136 D C 0.653 176.969 176.300 0.026 0.000 1.066 3136 D CA -0.192 53.815 54.000 0.011 0.000 0.861 3136 D CB -0.355 40.448 40.800 0.005 0.000 0.912 3136 D HN 0.388 nan 8.370 nan 0.000 0.521 3137 S N 1.819 117.543 115.700 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 -0.924 57.325 58.200 0.082 0.000 1.072 3137 S CB 0.999 64.289 63.200 0.151 0.000 0.867 3137 S HN 0.098 nan 8.310 nan 0.000 0.492 3138 P HA 0.082 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 0.268 63.392 63.100 0.040 0.000 0.788 3138 P CB -0.017 31.698 31.700 0.025 0.000 0.822 3139 I N 1.179 121.781 120.570 0.054 0.000 2.648 3139 I HA -0.021 4.149 4.170 0.000 0.000 0.284 3139 I C 1.331 177.395 176.117 -0.089 0.000 1.153 3139 I CA 0.275 61.547 61.300 -0.046 0.000 1.426 3139 I CB 0.233 38.203 38.000 -0.050 0.000 1.381 3139 I HN -0.272 nan 8.210 nan 0.000 0.571 3140 K N 6.666 126.960 120.400 -0.177 0.000 3.000 3140 K HA 0.096 4.416 4.320 0.000 0.000 0.265 3140 K C -0.731 175.776 176.600 -0.154 0.000 1.260 3140 K CA -0.016 56.197 56.287 -0.124 0.000 1.209 3140 K CB -0.528 31.919 32.500 -0.090 0.000 1.484 3140 K HN 0.388 nan 8.250 nan 0.000 0.283 3141 Y N 0.441 120.729 120.300 -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 58.669 58.100 -0.024 0.000 1.465 3141 Y CB 0.937 39.380 38.460 -0.027 0.000 1.350 3141 Y HN 0.469 nan 8.280 nan 0.000 0.575 3142 G N 0.159 109.053 108.800 0.157 0.000 2.302 3142 G HA2 -0.070 3.890 3.960 0.000 0.000 0.264 3142 G HA3 -0.070 3.890 3.960 0.000 0.000 0.264 3142 G C -1.767 173.156 174.900 0.039 0.000 1.335 3142 G CA -0.865 44.279 45.100 0.074 0.000 0.982 3142 G HN 0.540 nan 8.290 nan 0.000 0.473 3143 D N 0.503 120.916 120.400 0.022 0.000 2.470 3143 D HA 0.437 5.077 4.640 0.000 0.000 0.226 3143 D C 1.354 177.661 176.300 0.011 0.000 1.196 3143 D CA 0.193 54.200 54.000 0.012 0.000 0.979 3143 D CB 0.737 41.544 40.800 0.012 0.000 1.059 3143 D HN 0.268 nan 8.370 nan 0.000 0.515 3144 V N 3.143 123.062 119.914 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 0.715 63.017 62.300 0.002 0.000 1.081 3144 V CB -0.092 31.728 31.823 -0.005 0.000 0.752 3144 V HN 0.556 nan 8.190 nan 0.000 0.472 3145 M N -0.423 119.178 119.600 0.001 0.000 2.371 3145 M HA 0.286 4.766 4.480 0.000 0.000 0.246 3145 M C 0.381 176.694 176.300 0.022 0.000 1.103 3145 M CA 0.107 55.411 55.300 0.007 0.000 1.010 3145 M CB -0.647 31.949 32.600 -0.007 0.000 1.457 3145 M HN 0.379 nan 8.290 nan 0.000 0.486 3146 N N 1.205 119.918 118.700 0.021 0.000 2.705 3146 N HA -0.142 4.598 4.740 0.000 0.000 0.255 3146 N C 1.007 176.555 175.510 0.064 0.000 1.008 3146 N CA 0.250 53.322 53.050 0.037 0.000 0.742 3146 N CB -1.121 37.393 38.487 0.045 0.000 0.906 3146 N HN 0.148 nan 8.380 nan 0.000 0.541 3147 V N -0.219 119.716 119.914 0.035 0.000 2.261 3147 V HA -0.105 4.015 4.120 0.000 0.000 0.246 3147 V C 1.405 177.601 176.094 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 31.765 31.823 -0.140 0.000 0.642 3147 V HN 0.404 nan 8.190 nan 0.000 0.446 3148 I N 0.406 121.025 120.570 0.082 0.000 2.447 3148 I HA 0.504 4.674 4.170 0.000 0.000 0.287 3148 I C -1.140 175.010 176.117 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 39.832 38.000 0.060 0.000 1.245 3148 I HN 0.257 nan 8.210 nan 0.000 0.434 3149 D N 5.461 125.899 120.400 0.062 0.000 2.717 3149 D HA 0.785 5.425 4.640 0.000 0.000 0.223 3149 D C -1.671 174.670 176.300 0.068 0.000 1.240 3149 D CA -0.310 53.724 54.000 0.056 0.000 0.801 3149 D CB 2.255 43.090 40.800 0.059 0.000 1.556 3149 D HN 0.698 nan 8.370 nan 0.000 0.462 3150 A N 2.440 125.303 122.820 0.072 0.000 2.532 3150 A HA 0.642 4.962 4.320 0.000 0.000 0.296 3150 A C -2.818 174.843 177.584 0.128 0.000 1.058 3150 A CA -1.154 50.950 52.037 0.112 0.000 0.729 3150 A CB 1.412 20.462 19.000 0.083 0.000 1.285 3150 A HN 0.438 nan 8.150 nan 0.000 0.396 3151 P HA 0.275 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 0.512 63.704 63.100 0.153 0.000 0.768 3151 P CB 1.224 32.996 31.700 0.121 0.000 0.842 3152 A N 3.493 126.392 122.820 0.131 0.000 1.978 3152 A HA -0.031 4.289 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 54.002 52.037 0.120 0.000 0.636 3152 A CB -0.926 18.116 19.000 0.071 0.000 0.810 3152 A HN 0.741 nan 8.150 nan 0.000 0.448 3153 T N -3.748 110.910 114.554 0.174 0.000 2.883 3153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 3153 T C -0.865 173.857 174.700 0.037 0.000 1.158 3153 T CA -0.626 61.561 62.100 0.145 0.000 1.007 3153 T CB 1.504 70.412 68.868 0.066 0.000 1.186 3153 T HN 0.174 nan 8.240 nan 0.000 0.499 3154 I N 1.768 122.283 120.570 -0.093 0.000 2.439 3154 I HA 0.567 4.737 4.170 0.000 0.000 0.283 3154 I C 0.638 176.673 176.117 -0.138 0.000 1.023 3154 I CA -1.125 60.062 61.300 -0.188 0.000 1.100 3154 I CB 1.409 39.160 38.000 -0.415 0.000 1.238 3154 I HN 1.024 nan 8.210 nan 0.000 0.445 3155 A N 4.694 127.463 122.820 -0.085 0.000 2.366 3155 A HA 0.698 5.018 4.320 0.000 0.000 0.249 3155 A C 0.657 178.201 177.584 -0.067 0.000 1.084 3155 A CA -0.248 51.753 52.037 -0.061 0.000 0.794 3155 A CB 0.438 19.416 19.000 -0.036 0.000 1.034 3155 A HN 0.838 nan 8.150 nan 0.000 0.491 3156 A N -0.049 122.747 122.820 -0.040 0.000 2.566 3156 A HA 0.457 4.777 4.320 0.000 0.000 0.245 3156 A C 1.621 179.186 177.584 -0.030 0.000 1.056 3156 A CA 0.927 52.954 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 0.519 175.386 174.900 -0.054 0.000 0.979 3157 G CA 0.610 45.682 45.100 -0.046 0.000 0.641 3157 G HN 2.196 nan 8.290 nan 0.000 0.530 3158 A N -0.579 122.199 122.820 -0.069 0.000 2.281 3158 A HA 0.882 5.202 4.320 0.000 0.000 0.329 3158 A C 0.174 177.703 177.584 -0.092 0.000 1.122 3158 A CA 0.535 52.530 52.037 -0.070 0.000 0.850 3158 A CB 1.230 20.191 19.000 -0.066 0.000 1.207 3158 A HN 0.702 nan 8.150 nan 0.000 0.495 3159 T N 0.569 115.080 114.554 -0.072 0.000 2.812 3159 T HA 0.625 4.975 4.350 0.000 0.000 0.282 3159 T C 0.158 174.824 174.700 -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 1.859 110.620 108.800 -0.066 0.000 2.432 3160 G HA2 0.661 4.621 3.960 0.000 0.000 0.331 3160 G HA3 0.661 4.621 3.960 0.000 0.000 0.331 3160 G C -0.973 173.943 174.900 0.027 0.000 1.170 3160 G CA -0.607 44.480 45.100 -0.021 0.000 0.943 3160 G HN 0.491 nan 8.290 nan 0.000 0.483 3161 E N 0.667 120.899 120.200 0.052 0.000 2.183 3161 E HA 0.486 4.836 4.350 0.000 0.000 0.271 3161 E C -0.445 176.214 176.600 0.097 0.000 0.919 3161 E CA -0.421 56.019 56.400 0.067 0.000 0.781 3161 E CB 2.451 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 0.870 122.162 121.223 0.114 0.000 2.354 3162 L HA 0.654 4.994 4.340 0.000 0.000 0.264 3162 L C -0.118 176.810 176.870 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 2.153 116.759 114.554 0.087 0.000 2.916 3163 T HA 0.702 5.052 4.350 0.000 0.000 0.298 3163 T C -0.857 173.884 174.700 0.068 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 2.936 122.546 119.600 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 -0.710 54.576 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 2.579 122.839 120.300 -0.068 0.000 2.462 3165 Y HA 0.704 5.254 4.550 0.000 0.000 0.346 3165 Y C -1.565 174.370 175.900 0.058 0.000 0.976 3165 Y CA -0.328 57.841 58.100 0.116 0.000 1.044 3165 Y CB 2.089 40.671 38.460 0.205 0.000 1.230 3165 Y HN 0.621 nan 8.280 nan 0.000 0.455 3166 Y N 1.428 122.012 120.300 0.473 0.000 2.477 3166 Y HA 0.270 4.820 4.550 0.000 0.000 0.347 3166 Y C -0.944 175.173 175.900 0.363 0.000 0.981 3166 Y CA -1.522 56.759 58.100 0.301 0.000 1.033 3166 Y CB 1.937 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 5.217 126.606 121.300 0.147 0.000 2.329 3167 W HA 0.658 5.318 4.660 0.000 0.000 0.312 3167 W C -1.861 174.682 176.519 0.040 0.000 1.054 3167 W CA -1.018 56.403 57.345 0.126 0.000 1.245 3167 W CB 1.411 30.902 29.460 0.052 0.000 1.255 3167 W HN 0.306 nan 8.180 nan 0.000 0.436 3168 V N 9.455 129.090 119.914 -0.465 0.000 2.334 3168 V HA 0.185 4.305 4.120 0.000 0.000 0.267 3168 V C -1.591 174.002 176.094 -0.834 0.000 1.040 3168 V CA -1.555 60.471 62.300 -0.457 0.000 0.866 3168 V CB 0.888 32.573 31.823 -0.230 0.000 1.019 3168 V HN 0.367 nan 8.190 nan 0.000 0.468 3169 P HA 0.391 nan 4.420 nan 0.000 0.282 3169 P C 0.046 177.216 177.300 -0.216 0.000 1.249 3169 P CA -0.296 62.597 63.100 -0.345 0.000 0.806 3169 P CB 2.503 34.323 31.700 0.201 0.000 0.984 3170 L N 1.264 122.412 121.223 -0.124 0.000 2.675 3170 L HA 0.327 4.667 4.340 0.000 0.000 0.178 3170 L C 1.364 178.361 176.870 0.212 0.000 1.135 3170 L CA 0.095 54.890 54.840 -0.076 0.000 0.855 3170 L CB -0.784 41.104 42.059 -0.284 0.000 1.235 3170 L HN 0.323 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 0.513 178.265 177.584 0.281 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 2.224 122.528 120.300 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 59.657 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 0.884 nan 8.280 nan 0.000 0.515 3173 S N -2.428 113.251 115.700 -0.035 0.000 2.757 3173 S HA 0.263 4.733 4.470 0.000 0.000 0.285 3173 S C 0.369 174.954 174.600 -0.026 0.000 1.196 3173 S CA -0.624 57.509 58.200 -0.111 0.000 0.856 3173 S CB 1.064 64.174 63.200 -0.150 0.000 1.212 3173 S HN 0.076 nan 8.310 nan 0.000 0.516 3174 E N 1.074 121.228 120.200 -0.076 0.000 2.204 3174 E HA -0.018 4.332 4.350 0.000 0.000 0.194 3174 E C 1.718 178.294 176.600 -0.041 0.000 0.989 3174 E CA 1.905 58.263 56.400 -0.071 0.000 0.824 3174 E CB -0.367 29.261 29.700 -0.119 0.000 0.756 3174 E HN 0.848 nan 8.360 nan 0.000 0.477 3175 T N -2.439 112.103 114.554 -0.021 0.000 2.990 3175 T HA 0.051 4.401 4.350 0.000 0.000 0.250 3175 T C 0.475 175.187 174.700 0.020 0.000 1.041 3175 T CA -0.290 61.806 62.100 -0.006 0.000 1.010 3175 T CB 0.424 69.288 68.868 -0.007 0.000 1.003 3175 T HN -0.201 nan 8.240 nan 0.000 0.499 3176 D N 1.218 121.652 120.400 0.057 0.000 2.441 3176 D HA 0.308 4.948 4.640 0.000 0.000 0.231 3176 D C 0.619 176.961 176.300 0.070 0.000 1.073 3176 D CA -0.718 53.329 54.000 0.078 0.000 0.850 3176 D CB 0.950 41.861 40.800 0.185 0.000 1.062 3176 D HN 0.210 nan 8.370 nan 0.000 0.524 3177 L N 2.585 123.821 121.223 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 0.170 55.022 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 0.761 115.278 114.554 -0.061 0.000 2.871 3178 T HA 0.248 4.598 4.350 0.000 0.000 0.296 3178 T C 1.246 175.922 174.700 -0.041 0.000 0.998 3178 T CA 1.009 62.992 62.100 -0.195 0.000 1.162 3178 T CB 0.909 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 2.076 110.880 108.800 0.006 0.000 2.194 3179 G HA2 -0.092 3.868 3.960 0.000 0.000 0.236 3179 G HA3 -0.092 3.868 3.960 0.000 0.000 0.236 3179 G C 0.371 175.377 174.900 0.176 0.000 0.987 3179 G CA -0.041 45.165 45.100 0.177 0.000 0.635 3179 G HN 1.150 nan 8.290 nan 0.000 0.520 3180 A N -0.495 122.384 122.820 0.100 0.000 2.429 3180 A HA 0.646 4.966 4.320 0.000 0.000 0.242 3180 A C 0.408 178.036 177.584 0.073 0.000 1.088 3180 A CA 0.809 52.882 52.037 0.060 0.000 0.784 3180 A CB 0.835 19.857 19.000 0.037 0.000 1.038 3180 A HN 1.213 nan 8.150 nan 0.000 0.501 3181 V N 1.626 121.562 119.914 0.036 0.000 2.487 3181 V HA 0.322 4.442 4.120 0.000 0.000 0.298 3181 V C -0.567 175.561 176.094 0.056 0.000 1.028 3181 V CA -0.506 61.837 62.300 0.072 0.000 0.860 3181 V CB 1.403 33.271 31.823 0.075 0.000 0.991 3181 V HN 0.775 nan 8.190 nan 0.000 0.427 3182 L N 5.315 126.578 121.223 0.067 0.000 2.283 3182 L HA 0.715 5.055 4.340 0.000 0.000 0.287 3182 L C 0.485 177.391 176.870 0.059 0.000 1.073 3182 L CA 0.156 55.026 54.840 0.051 0.000 0.822 3182 L CB 0.772 42.866 42.059 0.059 0.000 1.186 3182 L HN 0.746 nan 8.230 nan 0.000 0.436 3183 A N 4.309 127.152 122.820 0.039 0.000 2.938 3183 A HA 0.494 4.814 4.320 0.000 0.000 0.344 3183 A C -0.066 177.530 177.584 0.021 0.000 1.142 3183 A CA -0.444 51.615 52.037 0.038 0.000 0.841 3183 A CB -0.627 18.396 19.000 0.039 0.000 1.083 3183 A HN 0.810 nan 8.150 nan 0.000 0.479 3184 N N -0.091 118.637 118.700 0.047 0.000 2.299 3184 N HA 0.184 4.924 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 -0.171 52.915 53.050 0.060 0.000 0.879 3184 N CB 0.585 39.141 38.487 0.116 0.000 1.214 3184 N HN 0.062 nan 8.380 nan 0.000 0.510 3185 V N 1.763 121.705 119.914 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 -1.612 60.711 62.300 0.037 0.000 0.821 3185 V CB 0.813 32.658 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 0.630 177.936 177.300 0.009 0.000 1.195 3186 P CA 1.298 64.406 63.100 0.014 0.000 0.768 3186 P CB 0.516 32.224 31.700 0.014 0.000 0.838 3187 Q N -0.417 119.385 119.800 0.003 0.000 2.360 3187 Q HA -0.209 4.131 4.340 0.000 0.000 0.192 3187 Q C 0.452 176.448 176.000 -0.006 0.000 0.615 3187 Q CA 1.422 57.224 55.803 -0.002 0.000 1.355 3187 Q CB -2.735 26.002 28.738 -0.001 0.000 1.324 3187 Q HN 0.513 nan 8.270 nan 0.000 0.885 3188 S N 0.365 116.063 115.700 -0.002 0.000 2.653 3188 S HA 0.546 5.016 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 58.342 58.200 -0.005 0.000 1.149 3188 S CB 0.397 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 3.355 123.742 120.400 -0.023 0.000 2.087 3189 K HA 0.516 4.836 4.320 0.000 0.000 0.255 3189 K C -0.217 176.353 176.600 -0.049 0.000 0.988 3189 K CA -0.855 55.416 56.287 -0.026 0.000 0.915 3189 K CB 0.915 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 0.675 120.450 119.800 -0.042 0.000 2.185 3190 Q HA 0.394 4.734 4.340 0.000 0.000 0.225 3190 Q C -0.767 175.140 176.000 -0.155 0.000 0.983 3190 Q CA -0.824 54.913 55.803 -0.110 0.000 0.950 3190 Q CB 1.335 30.081 28.738 0.014 0.000 1.176 3190 Q HN 0.446 nan 8.270 nan 0.000 0.510 3191 R N 0.639 120.977 120.500 -0.270 0.000 2.533 3191 R HA 0.420 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 55.253 56.100 -0.193 0.000 0.909 3191 R CB 1.344 31.552 30.300 -0.153 0.000 1.195 3191 R HN 0.351 nan 8.270 nan 0.000 0.438 3192 L N 3.353 124.461 121.223 -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 -0.286 54.425 54.840 -0.215 0.000 0.859 3192 L CB 0.976 42.772 42.059 -0.438 0.000 1.224 3192 L HN 0.419 nan 8.230 nan 0.000 0.429 3193 K N 6.145 126.466 120.400 -0.133 0.000 2.227 3193 K HA 0.552 4.872 4.320 0.000 0.000 0.280 3193 K C -1.174 175.296 176.600 -0.218 0.000 1.041 3193 K CA -0.400 55.809 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 3.360 124.428 121.223 -0.258 0.000 2.325 3194 L HA 0.324 4.664 4.340 0.000 0.000 0.281 3194 L C -0.267 176.363 176.870 -0.400 0.000 1.004 3194 L CA -0.551 54.008 54.840 -0.467 0.000 0.823 3194 L CB 1.524 43.172 42.059 -0.685 0.000 1.236 3194 L HN 0.527 nan 8.230 nan 0.000 0.415 3195 E N 3.810 123.756 120.200 -0.423 0.000 2.114 3195 E HA 0.392 4.742 4.350 0.000 0.000 0.266 3195 E C -1.092 175.339 176.600 -0.282 0.000 0.896 3195 E CA -0.452 55.813 56.400 -0.224 0.000 0.750 3195 E CB 1.446 31.061 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 0.411 4.938 4.527 0.000 0.000 0.319 3196 F C 1.101 176.925 175.800 0.040 0.000 1.129 3196 F CA -0.739 57.297 58.000 0.061 0.000 1.109 3196 F CB 0.679 39.794 39.000 0.193 0.000 1.262 3196 F HN 0.399 nan 8.300 nan 0.000 0.534 3197 A N 1.617 124.581 122.820 0.240 0.000 2.406 3197 A HA 0.446 4.766 4.320 0.000 0.000 0.243 3197 A C -0.307 177.328 177.584 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 -0.661 118.160 118.700 0.201 0.000 3.157 3198 N HA 0.237 4.977 4.740 0.000 0.000 0.291 3198 N C -0.070 175.695 175.510 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 -0.189 118.784 118.700 0.455 0.000 2.272 3199 N HA -0.092 4.648 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 0.847 54.177 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 -0.153 118.675 118.700 0.212 0.000 2.207 3200 N HA -0.072 4.668 4.740 0.000 0.000 0.182 3200 N C 1.887 177.461 175.510 0.107 0.000 1.020 3200 N CA 1.605 54.747 53.050 0.154 0.000 0.858 3200 N CB -0.567 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 -1.975 112.632 114.554 0.089 0.000 3.009 3201 T HA 0.253 4.603 4.350 0.000 0.000 0.258 3201 T C 1.906 176.587 174.700 -0.032 0.000 1.063 3201 T CA 0.737 62.870 62.100 0.055 0.000 1.139 3201 T CB -0.094 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 0.624 123.332 122.820 -0.187 0.000 2.067 3202 A HA 0.415 4.735 4.320 0.000 0.000 0.217 3202 A C 0.422 177.563 177.584 -0.738 0.000 1.156 3202 A CA 0.052 51.763 52.037 -0.543 0.000 0.683 3202 A CB -0.478 17.988 19.000 -0.889 0.000 0.808 3202 A HN 0.588 nan 8.150 nan 0.000 0.455 3203 F N -0.502 119.500 119.950 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 -0.759 57.277 58.000 0.060 0.000 0.948 3203 F CB 1.744 40.760 39.000 0.026 0.000 1.154 3203 F HN 0.073 nan 8.300 nan 0.000 0.439 3204 A N 2.332 125.265 122.820 0.188 0.000 2.318 3204 A HA 0.853 5.173 4.320 0.000 0.000 0.324 3204 A C -0.202 177.438 177.584 0.094 0.000 1.170 3204 A CA -0.605 51.497 52.037 0.109 0.000 0.810 3204 A CB 0.715 19.747 19.000 0.054 0.000 1.198 3204 A HN 0.907 nan 8.150 nan 0.000 0.484 3205 A N 1.648 124.511 122.820 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 -0.291 51.773 52.037 0.044 0.000 0.797 3205 A CB -0.022 19.003 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 0.373 4.493 4.120 0.000 0.000 0.306 3206 V C 1.693 177.792 176.094 0.007 0.000 1.054 3206 V CA 1.836 64.139 62.300 0.004 0.000 1.161 3206 V CB 0.056 31.875 31.823 -0.007 0.000 0.916 3206 V HN 1.960 nan 8.190 nan 0.000 0.490 3207 G N 3.291 112.095 108.800 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 0.433 175.337 174.900 0.008 0.000 0.988 3207 G CA 0.307 45.409 45.100 0.003 0.000 0.625 3207 G HN 1.507 nan 8.290 nan 0.000 0.527 3208 A N -0.158 122.672 122.820 0.017 0.000 2.271 3208 A HA 0.645 4.965 4.320 0.000 0.000 0.288 3208 A C 0.517 178.117 177.584 0.027 0.000 1.094 3208 A CA 0.150 52.201 52.037 0.023 0.000 0.828 3208 A CB 0.369 19.390 19.000 0.034 0.000 1.091 3208 A HN 0.539 nan 8.150 nan 0.000 0.493 3209 N N 1.185 119.905 118.700 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 -1.437 51.647 53.050 0.057 0.000 0.943 3209 N CB 0.985 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 1.532 178.654 177.300 -0.295 0.000 1.248 3210 P CA -0.115 62.910 63.100 -0.124 0.000 0.807 3210 P CB 0.462 32.063 31.700 -0.164 0.000 1.150 3211 L N 1.423 122.493 121.223 -0.255 0.000 2.010 3211 L HA -0.192 4.148 4.340 0.000 0.000 0.219 3211 L C 1.761 178.443 176.870 -0.315 0.000 1.077 3211 L CA 2.205 56.786 54.840 -0.431 0.000 0.773 3211 L CB -0.882 41.145 42.059 -0.053 0.000 0.892 3211 L HN -0.119 nan 8.230 nan 0.000 0.436 3212 E N -0.204 119.958 120.200 -0.063 0.000 2.474 3212 E HA 0.313 4.663 4.350 0.000 0.000 0.195 3212 E C 0.643 177.270 176.600 0.044 0.000 1.039 3212 E CA 0.585 57.033 56.400 0.081 0.000 0.881 3212 E CB -0.005 29.775 29.700 0.133 0.000 0.970 3212 E HN 0.566 nan 8.360 nan 0.000 0.486 3213 A N 0.684 123.479 122.820 -0.042 0.000 2.271 3213 A HA 0.482 4.802 4.320 0.000 0.000 0.288 3213 A C 1.115 178.655 177.584 -0.074 0.000 1.094 3213 A CA -0.394 51.611 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 -1.344 119.169 120.570 -0.096 0.000 3.039 3214 I HA 0.117 4.287 4.170 0.000 0.000 0.270 3214 I C -0.380 175.539 176.117 -0.329 0.000 1.150 3214 I CA 0.668 61.874 61.300 -0.157 0.000 1.448 3214 I CB 0.009 37.966 38.000 -0.072 0.000 1.197 3214 I HN 0.593 nan 8.210 nan 0.000 0.450 3215 Y N 0.355 120.676 120.300 0.035 0.000 2.512 3215 Y HA 0.553 5.103 4.550 0.000 0.000 0.348 3215 Y C -0.279 175.683 175.900 0.103 0.000 0.990 3215 Y CA -0.736 57.426 58.100 0.103 0.000 1.033 3215 Y CB 1.791 40.374 38.460 0.206 0.000 1.259 3215 Y HN -0.069 nan 8.280 nan 0.000 0.461 3216 Q N 1.560 121.482 119.800 0.205 0.000 2.359 3216 Q HA 0.768 5.108 4.340 0.000 0.000 0.274 3216 Q C -1.019 175.035 176.000 0.091 0.000 1.074 3216 Q CA -0.656 55.219 55.803 0.119 0.000 0.810 3216 Q CB 2.585 31.348 28.738 0.041 0.000 1.342 3216 Q HN 0.965 nan 8.270 nan 0.000 0.427 3217 G N 0.449 109.278 108.800 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 44.958 45.100 -0.004 0.000 0.856 3217 G HN 0.682 nan 8.290 nan 0.000 0.584 3218 A N -0.843 121.911 122.820 -0.111 0.000 2.178 3218 A HA 0.352 4.672 4.320 0.000 0.000 0.218 3218 A C 2.159 179.504 177.584 -0.399 0.000 1.157 3218 A CA 2.532 54.455 52.037 -0.189 0.000 0.689 3218 A CB -0.363 18.531 19.000 -0.176 0.000 0.787 3218 A HN 1.922 nan 8.150 nan 0.000 0.465 3219 G N -1.728 106.848 108.800 -0.373 0.000 3.088 3219 G HA2 0.334 4.294 3.960 0.000 0.000 0.217 3219 G HA3 0.334 4.294 3.960 0.000 0.000 0.217 3219 G C 1.320 176.119 174.900 -0.168 0.000 1.159 3219 G CA 0.844 45.670 45.100 -0.456 0.000 0.760 3219 G HN 0.585 nan 8.290 nan 0.000 0.550 3220 A N 1.596 124.353 122.820 -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 -0.826 18.218 19.000 0.073 0.000 0.823 3220 A HN 0.856 nan 8.150 nan 0.000 0.451 3221 A N -0.819 122.019 122.820 0.029 0.000 2.032 3221 A HA -0.174 4.146 4.320 0.000 0.000 0.221 3221 A C 1.415 179.006 177.584 0.012 0.000 1.165 3221 A CA 1.818 53.886 52.037 0.051 0.000 0.645 3221 A CB -0.372 18.675 19.000 0.077 0.000 0.807 3221 A HN 0.503 nan 8.150 nan 0.000 0.453 3222 D N -1.207 119.191 120.400 -0.003 0.000 2.388 3222 D HA 0.183 4.823 4.640 0.000 0.000 0.221 3222 D C -0.424 175.761 176.300 -0.192 0.000 1.133 3222 D CA -0.020 53.947 54.000 -0.054 0.000 0.831 3222 D CB -0.092 40.706 40.800 -0.003 0.000 0.962 3222 D HN 0.284 nan 8.370 nan 0.000 0.502 3223 C N 1.162 120.228 119.300 -0.390 0.000 2.401 3223 C HA 0.459 4.919 4.460 0.000 0.000 0.365 3223 C C 0.601 175.162 174.990 -0.714 0.000 1.250 3223 C CA -0.471 58.068 59.018 -0.799 0.000 2.131 3223 C CB 0.786 27.552 27.740 -1.624 0.000 2.445 3223 C HN 0.206 nan 8.230 nan 0.000 0.550 3224 E N 0.660 120.561 120.200 -0.497 0.000 2.343 3224 E HA 0.361 4.711 4.350 0.000 0.000 0.278 3224 E C -1.375 175.244 176.600 0.032 0.000 0.910 3224 E CA -0.485 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 0.487 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 1.811 177.649 175.800 0.063 0.000 1.128 3225 F CA 0.356 58.459 58.000 0.171 0.000 1.268 3225 F CB 0.768 39.852 39.000 0.140 0.000 1.161 3225 F HN 0.496 nan 8.300 nan 0.000 0.583 3226 E N 1.221 121.556 120.200 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 0.579 57.040 56.400 0.102 0.000 0.858 3226 E CB 0.356 30.085 29.700 0.050 0.000 0.816 3226 E HN 0.803 nan 8.360 nan 0.000 0.475 3227 E N -0.501 119.725 120.200 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 0.963 30.575 29.700 -0.148 0.000 1.303 3227 E HN -0.134 nan 8.360 nan 0.000 0.441 3228 I N 0.937 121.096 120.570 -0.684 0.000 2.686 3228 I HA 0.546 4.716 4.170 0.000 0.000 0.295 3228 I C -0.980 174.603 176.117 -0.891 0.000 1.114 3228 I CA -0.937 59.885 61.300 -0.796 0.000 1.038 3228 I CB 2.287 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 4.078 119.487 115.700 -0.485 0.000 2.549 3229 S HA 0.775 5.245 4.470 0.000 0.000 0.280 3229 S C -1.579 172.923 174.600 -0.164 0.000 1.109 3229 S CA -0.433 57.555 58.200 -0.353 0.000 0.905 3229 S CB 1.387 64.447 63.200 -0.235 0.000 1.081 3229 S HN 0.472 nan 8.310 nan 0.000 0.477 3230 Y N -0.030 120.183 120.300 -0.145 0.000 2.553 3230 Y HA 0.835 5.385 4.550 0.000 0.000 0.347 3230 Y C -0.872 175.005 175.900 -0.039 0.000 1.019 3230 Y CA -0.882 57.197 58.100 -0.034 0.000 1.032 3230 Y CB 1.412 39.935 38.460 0.105 0.000 1.284 3230 Y HN 0.421 nan 8.280 nan 0.000 0.466 3231 T N 2.959 117.647 114.554 0.225 0.000 3.011 3231 T HA 0.503 4.853 4.350 0.000 0.000 0.303 3231 T C -1.437 173.358 174.700 0.159 0.000 0.997 3231 T CA -0.638 61.509 62.100 0.077 0.000 1.007 3231 T CB 1.364 70.219 68.868 -0.022 0.000 1.017 3231 T HN 0.625 nan 8.240 nan 0.000 0.443 3232 V N 4.224 124.209 119.914 0.119 0.000 2.394 3232 V HA 0.475 4.595 4.120 0.000 0.000 0.282 3232 V C -1.079 175.045 176.094 0.051 0.000 1.031 3232 V CA -0.728 61.667 62.300 0.159 0.000 0.881 3232 V CB 0.754 32.661 31.823 0.141 0.000 0.982 3232 V HN 0.810 nan 8.190 nan 0.000 0.451 3233 Y N 3.024 123.505 120.300 0.302 0.000 2.352 3233 Y HA 0.499 5.049 4.550 0.000 0.000 0.339 3233 Y C 0.299 176.396 175.900 0.328 0.000 0.992 3233 Y CA -0.346 57.928 58.100 0.289 0.000 1.100 3233 Y CB 1.723 40.346 38.460 0.271 0.000 1.192 3233 Y HN 0.553 nan 8.280 nan 0.000 0.458 3234 Q N 2.120 122.183 119.800 0.438 0.000 2.290 3234 Q HA 0.434 4.774 4.340 0.000 0.000 0.259 3234 Q C -0.928 175.220 176.000 0.248 0.000 0.941 3234 Q CA -0.556 55.415 55.803 0.281 0.000 0.912 3234 Q CB 1.341 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 4.249 119.992 115.700 0.071 0.000 2.429 3235 S HA 0.619 5.089 4.470 0.000 0.000 0.302 3235 S C -1.377 173.281 174.600 0.097 0.000 1.115 3235 S CA -0.360 57.905 58.200 0.108 0.000 1.095 3235 S CB 0.204 63.579 63.200 0.292 0.000 0.987 3235 S HN 0.564 nan 8.310 nan 0.000 0.474 3236 Y N 2.130 122.417 120.300 -0.022 0.000 2.744 3236 Y HA 0.724 5.274 4.550 0.000 0.000 0.330 3236 Y C -1.848 174.038 175.900 -0.024 0.000 1.263 3236 Y CA -1.568 56.508 58.100 -0.040 0.000 1.065 3236 Y CB 0.870 39.307 38.460 -0.038 0.000 1.306 3236 Y HN 0.395 nan 8.280 nan 0.000 0.459 3237 L N 2.312 123.633 121.223 0.162 0.000 2.313 3237 L HA 0.482 4.822 4.340 0.000 0.000 0.283 3237 L C -1.015 175.965 176.870 0.183 0.000 1.013 3237 L CA -0.571 54.304 54.840 0.057 0.000 0.816 3237 L CB 1.483 43.550 42.059 0.013 0.000 1.236 3237 L HN 0.667 nan 8.230 nan 0.000 0.419 3238 D N 1.339 121.825 120.400 0.145 0.000 2.384 3238 D HA 0.272 4.912 4.640 0.000 0.000 0.250 3238 D C -0.417 175.941 176.300 0.098 0.000 1.029 3238 D CA -0.054 54.058 54.000 0.187 0.000 0.990 3238 D CB 1.271 42.222 40.800 0.252 0.000 1.175 3238 D HN 0.428 nan 8.370 nan 0.000 0.532 3239 Q N 0.009 119.855 119.800 0.077 0.000 2.460 3239 Q HA -0.184 4.156 4.340 0.000 0.000 0.311 3239 Q C -0.511 175.495 176.000 0.010 0.000 1.396 3239 Q CA 0.117 55.953 55.803 0.054 0.000 0.838 3239 Q CB -1.368 27.413 28.738 0.071 0.000 1.140 3239 Q HN 0.409 nan 8.270 nan 0.000 0.415 3240 L N 2.138 123.309 121.223 -0.087 0.000 2.499 3240 L HA 0.169 4.509 4.340 0.000 0.000 0.273 3240 L C -1.146 175.689 176.870 -0.059 0.000 1.195 3240 L CA -1.357 53.373 54.840 -0.185 0.000 0.882 3240 L CB -0.290 41.429 42.059 -0.566 0.000 1.133 3240 L HN 0.078 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 -0.095 63.049 63.100 0.073 0.000 0.768 3241 P CB 1.180 32.908 31.700 0.048 0.000 0.842 3242 V N 2.899 122.918 119.914 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 -0.034 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 2.142 110.987 108.800 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 -0.263 174.652 174.900 0.026 0.000 1.172 3243 G CA 0.238 45.366 45.100 0.046 0.000 0.844 3243 G HN 0.789 nan 8.290 nan 0.000 0.619 3244 Q N -1.364 118.448 119.800 0.020 0.000 2.844 3244 Q HA 0.529 4.869 4.340 0.000 0.000 0.235 3244 Q C 0.362 176.366 176.000 0.007 0.000 1.336 3244 Q CA 0.754 56.563 55.803 0.010 0.000 1.026 3244 Q CB -1.220 27.523 28.738 0.009 0.000 1.513 3244 Q HN 2.265 nan 8.270 nan 0.000 0.577 3245 N N -1.255 117.445 118.700 -0.000 0.000 3.400 3245 N HA 0.440 5.180 4.740 0.000 0.000 0.134 3245 N C 1.235 176.735 175.510 -0.018 0.000 1.073 3245 N CA 0.859 53.906 53.050 -0.005 0.000 2.788 3245 N CB -1.295 37.197 38.487 0.007 0.000 1.172 3245 N HN 2.131 nan 8.380 nan 0.000 0.820 3246 G N -0.539 108.241 108.800 -0.034 0.000 2.484 3246 G HA2 -0.046 3.914 3.960 0.000 0.000 0.225 3246 G HA3 -0.046 3.914 3.960 0.000 0.000 0.225 3246 G C -0.225 174.681 174.900 0.010 0.000 1.250 3246 G CA -0.232 44.809 45.100 -0.097 0.000 0.926 3246 G HN 1.253 nan 8.290 nan 0.000 0.581 3247 Y N 0.349 120.659 120.300 0.017 0.000 2.712 3247 Y HA 0.299 4.849 4.550 0.000 0.000 0.333 3247 Y C 1.519 177.429 175.900 0.017 0.000 1.225 3247 Y CA -0.201 57.910 58.100 0.020 0.000 1.499 3247 Y CB 0.308 38.781 38.460 0.023 0.000 1.288 3247 Y HN 0.333 nan 8.280 nan 0.000 0.575 3248 I N 6.145 126.832 120.570 0.196 0.000 2.308 3248 I HA 0.127 4.297 4.170 0.000 0.000 0.293 3248 I C -0.604 175.559 176.117 0.077 0.000 1.078 3248 I CA 0.254 61.615 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 0.341 nan 8.210 nan 0.000 0.493 3249 L N 8.694 129.959 121.223 0.069 0.000 2.408 3249 L HA 0.505 4.845 4.340 0.000 0.000 0.268 3249 L C -2.390 174.496 176.870 0.026 0.000 0.986 3249 L CA -1.903 52.964 54.840 0.045 0.000 0.820 3249 L CB 2.350 44.449 42.059 0.067 0.000 1.303 3249 L HN 0.340 nan 8.230 nan 0.000 0.411 3250 P HA 0.151 nan 4.420 nan 0.000 0.273 3250 P C 0.702 178.000 177.300 -0.004 0.000 1.428 3250 P CA -0.210 62.888 63.100 -0.003 0.000 0.995 3250 P CB 0.669 32.360 31.700 -0.015 0.000 1.286 3251 L N 2.769 123.992 121.223 0.001 0.000 2.079 3251 L HA -0.177 4.163 4.340 0.000 0.000 0.210 3251 L C 2.419 179.281 176.870 -0.014 0.000 1.081 3251 L CA 1.422 56.263 54.840 0.002 0.000 0.752 3251 L CB -0.553 41.510 42.059 0.007 0.000 0.896 3251 L HN 0.270 nan 8.230 nan 0.000 0.433 3252 I N -0.475 120.076 120.570 -0.032 0.000 2.233 3252 I HA -0.243 3.927 4.170 0.000 0.000 0.243 3252 I C 2.111 178.180 176.117 -0.080 0.000 1.093 3252 I CA 1.024 62.290 61.300 -0.057 0.000 1.380 3252 I CB -0.431 37.525 38.000 -0.073 0.000 1.067 3252 I HN 0.207 nan 8.210 nan 0.000 0.413 3253 D N 1.310 121.663 120.400 -0.079 0.000 2.106 3253 D HA -0.178 4.462 4.640 0.000 0.000 0.191 3253 D C 2.166 178.437 176.300 -0.048 0.000 0.997 3253 D CA 1.478 55.424 54.000 -0.091 0.000 0.834 3253 D CB -0.395 40.369 40.800 -0.060 0.000 0.956 3253 D HN 0.271 nan 8.370 nan 0.000 0.448 3254 L N 0.307 121.523 121.223 -0.012 0.000 2.551 3254 L HA -0.014 4.326 4.340 0.000 0.000 0.228 3254 L C 1.526 178.417 176.870 0.034 0.000 1.153 3254 L CA 0.714 55.569 54.840 0.025 0.000 0.851 3254 L CB -0.238 41.841 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 2.663 3255 S HA 0.179 4.649 4.470 0.000 0.000 0.243 3255 S C 0.503 175.093 174.600 -0.017 0.000 1.009 3255 S CA -0.558 57.646 58.200 0.007 0.000 0.988 3255 S CB 0.180 63.383 63.200 0.004 0.000 0.896 3255 S HN 0.085 nan 8.310 nan 0.000 0.502 3256 T N 2.821 117.351 114.554 -0.040 0.000 2.855 3256 T HA 0.598 4.948 4.350 0.000 0.000 0.281 3256 T C -0.570 174.108 174.700 -0.036 0.000 1.007 3256 T CA -0.594 61.462 62.100 -0.073 0.000 1.009 3256 T CB 1.327 70.078 68.868 -0.195 0.000 0.983 3256 T HN 0.254 nan 8.240 nan 0.000 0.455 3257 L N 3.027 124.228 121.223 -0.037 0.000 2.295 3257 L HA 0.489 4.829 4.340 0.000 0.000 0.285 3257 L C -0.997 175.942 176.870 0.115 0.000 1.035 3257 L CA -1.123 53.672 54.840 -0.075 0.000 0.806 3257 L CB 0.825 42.731 42.059 -0.256 0.000 1.214 3257 L HN 0.625 nan 8.230 nan 0.000 0.426 3258 Y N 4.262 124.599 120.300 0.062 0.000 2.402 3258 Y HA 0.484 5.034 4.550 0.000 0.000 0.332 3258 Y C -0.876 174.968 175.900 -0.092 0.000 0.960 3258 Y CA -1.152 57.044 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 -1.895 173.107 175.510 -0.847 0.000 1.193 3259 N CA -0.628 51.925 53.050 -0.829 0.000 0.773 3259 N CB 2.304 40.301 38.487 -0.816 0.000 1.435 3259 N HN 0.486 nan 8.380 nan 0.000 0.484 3260 L N 0.726 121.653 121.223 -0.494 0.000 2.346 3260 L HA 0.521 4.861 4.340 0.000 0.000 0.276 3260 L C 0.022 176.878 176.870 -0.024 0.000 1.006 3260 L CA -0.213 54.507 54.840 -0.200 0.000 0.817 3260 L CB 1.449 43.354 42.059 -0.257 0.000 1.272 3260 L HN 0.478 nan 8.230 nan 0.000 0.421 3261 E N 2.076 122.400 120.200 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 2.973 32.855 29.700 0.303 0.000 1.277 3261 E HN 0.644 nan 8.360 nan 0.000 0.455 3262 N N -0.134 118.591 118.700 0.043 0.000 2.455 3262 N HA 0.533 5.273 4.740 0.000 0.000 0.278 3262 N C -1.269 174.270 175.510 0.049 0.000 1.291 3262 N CA -0.575 52.431 53.050 -0.073 0.000 0.780 3262 N CB 2.113 40.434 38.487 -0.278 0.000 1.520 3262 N HN 0.490 nan 8.380 nan 0.000 0.486 3263 S N -1.257 114.481 115.700 0.064 0.000 2.656 3263 S HA 0.861 5.331 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 -0.960 57.306 58.200 0.110 0.000 0.817 3263 S CB 1.239 64.529 63.200 0.150 0.000 1.146 3263 S HN 1.035 nan 8.310 nan 0.000 0.475 3264 A N 0.954 123.848 122.820 0.124 0.000 2.355 3264 A HA 0.809 5.129 4.320 0.000 0.000 0.317 3264 A C -1.022 176.641 177.584 0.132 0.000 1.094 3264 A CA -0.677 51.439 52.037 0.132 0.000 0.764 3264 A CB 1.253 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 0.387 120.283 119.800 0.161 0.000 2.353 3265 Q HA 0.736 5.076 4.340 0.000 0.000 0.268 3265 Q C -0.554 175.594 176.000 0.248 0.000 1.045 3265 Q CA -0.438 55.505 55.803 0.233 0.000 0.811 3265 Q CB 2.217 31.145 28.738 0.315 0.000 1.305 3265 Q HN 0.977 nan 8.270 nan 0.000 0.447 3266 A N -0.281 122.695 122.820 0.259 0.000 2.435 3266 A HA 0.911 5.231 4.320 0.000 0.000 0.296 3266 A C 0.307 178.035 177.584 0.241 0.000 1.147 3266 A CA -0.168 51.941 52.037 0.120 0.000 0.775 3266 A CB 1.541 20.580 19.000 0.065 0.000 1.340 3266 A HN 0.975 nan 8.150 nan 0.000 0.427 3267 G N -0.861 107.973 108.800 0.056 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 0.073 0.000 1.032 3267 G CA -0.125 45.079 45.100 0.174 0.000 0.697 3267 G HN 0.742 nan 8.290 nan 0.000 0.495 3268 L N 1.977 123.003 121.223 -0.329 0.000 2.349 3268 L HA 0.734 5.074 4.340 0.000 0.000 0.275 3268 L C 0.900 177.688 176.870 -0.137 0.000 1.115 3268 L CA 0.468 55.074 54.840 -0.390 0.000 0.820 3268 L CB 1.616 43.288 42.059 -0.644 0.000 1.135 3268 L HN 0.404 nan 8.230 nan 0.000 0.445 3269 T N 0.387 114.894 114.554 -0.078 0.000 2.933 3269 T HA 0.537 4.887 4.350 0.000 0.000 0.305 3269 T C -2.830 171.839 174.700 -0.052 0.000 1.092 3269 T CA -2.335 59.739 62.100 -0.043 0.000 1.008 3269 T CB 1.802 70.664 68.868 -0.010 0.000 1.102 3269 T HN 0.140 nan 8.240 nan 0.000 0.469 3270 P HA 0.125 nan 4.420 nan 0.000 0.261 3270 P C 0.218 177.488 177.300 -0.051 0.000 1.173 3270 P CA 0.738 63.810 63.100 -0.046 0.000 0.760 3270 P CB -0.170 31.512 31.700 -0.029 0.000 0.783 3271 N N -1.131 117.524 118.700 -0.076 0.000 2.778 3271 N HA -0.154 4.586 4.740 0.000 0.000 0.249 3271 N C -0.688 174.784 175.510 -0.063 0.000 1.069 3271 N CA 0.296 53.302 53.050 -0.074 0.000 0.831 3271 N CB -1.405 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 0.636 120.510 119.914 -0.066 0.000 2.513 3272 V HA 0.258 4.378 4.120 0.000 0.000 0.299 3272 V C 0.015 176.081 176.094 -0.047 0.000 1.035 3272 V CA -0.713 61.567 62.300 -0.034 0.000 0.889 3272 V CB 1.795 33.616 31.823 -0.003 0.000 0.988 3272 V HN 0.016 nan 8.190 nan 0.000 0.440 3273 D N 3.255 123.640 120.400 -0.024 0.000 2.382 3273 D HA 0.140 4.780 4.640 0.000 0.000 0.259 3273 D C -0.546 175.770 176.300 0.027 0.000 1.224 3273 D CA 0.411 54.397 54.000 -0.023 0.000 0.894 3273 D CB 0.413 41.223 40.800 0.017 0.000 1.127 3273 D HN 0.350 nan 8.370 nan 0.000 0.487 3274 F N 3.670 123.529 119.950 -0.151 0.000 2.391 3274 F HA 0.304 4.831 4.527 0.000 0.000 0.359 3274 F C -0.619 175.123 175.800 -0.096 0.000 1.122 3274 F CA -0.743 57.182 58.000 -0.126 0.000 1.120 3274 F CB 0.721 39.617 39.000 -0.174 0.000 1.142 3274 F HN -0.004 nan 8.300 nan 0.000 0.483 3275 V N 7.062 126.718 119.914 -0.429 0.000 2.384 3275 V HA 0.364 4.484 4.120 0.000 0.000 0.287 3275 V C -0.580 175.271 176.094 -0.405 0.000 1.020 3275 V CA -0.876 61.243 62.300 -0.301 0.000 0.850 3275 V CB 1.457 33.173 31.823 -0.178 0.000 0.987 3275 V HN 0.482 nan 8.190 nan 0.000 0.436 3276 V N 5.298 125.072 119.914 -0.233 0.000 2.311 3276 V HA 0.309 4.429 4.120 0.000 0.000 0.275 3276 V C 0.192 176.168 176.094 -0.197 0.000 1.022 3276 V CA -0.700 61.475 62.300 -0.208 0.000 0.830 3276 V CB 1.105 32.876 31.823 -0.086 0.000 1.012 3276 V HN 0.805 nan 8.190 nan 0.000 0.452 3277 Q N 2.866 122.558 119.800 -0.178 0.000 2.364 3277 Q HA 0.211 4.551 4.340 0.000 0.000 0.267 3277 Q C -0.681 175.180 176.000 -0.232 0.000 0.999 3277 Q CA 0.115 55.836 55.803 -0.136 0.000 0.886 3277 Q CB 0.872 29.557 28.738 -0.089 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 -0.175 0.000 2.402 3278 Y HA 0.130 4.680 4.550 0.000 0.000 0.333 3278 Y C 0.936 176.706 175.900 -0.218 0.000 1.076 3278 Y CA -0.233 57.636 58.100 -0.385 0.000 1.299 3278 Y CB 0.777 38.932 38.460 -0.509 0.000 1.197 3278 Y HN 0.673 nan 8.280 nan 0.000 0.517 3279 A N 3.829 126.601 122.820 -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 0.545 52.518 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 -1.010 117.675 118.700 -0.024 0.000 3.699 3280 N HA -0.058 4.682 4.740 0.000 0.000 0.355 3280 N C 0.850 176.270 175.510 -0.150 0.000 1.094 3280 N CA 1.119 54.137 53.050 -0.054 0.000 2.627 3280 N CB -0.566 37.862 38.487 -0.098 0.000 0.583 3280 N HN 1.383 nan 8.380 nan 0.000 0.831 3281 L N -2.824 118.364 121.223 -0.058 0.000 3.898 3281 L HA -0.209 4.131 4.340 0.000 0.000 0.382 3281 L C 0.873 177.942 176.870 0.332 0.000 0.711 3281 L CA 2.130 57.019 54.840 0.083 0.000 2.828 3281 L CB -2.112 39.934 42.059 -0.023 0.000 0.852 3281 L HN 0.916 nan 8.230 nan 0.000 0.694 3282 Y N 0.106 120.412 120.300 0.009 0.000 2.326 3282 Y HA 0.359 4.909 4.550 0.000 0.000 0.333 3282 Y C 1.018 176.894 175.900 -0.040 0.000 1.240 3282 Y CA -0.803 57.150 58.100 -0.246 0.000 1.365 3282 Y CB 0.421 38.237 38.460 -1.073 0.000 1.289 3282 Y HN -0.029 nan 8.280 nan 0.000 0.548 3283 R N 2.500 123.071 120.500 0.118 0.000 2.278 3283 R HA 0.212 4.552 4.340 0.000 0.000 0.322 3283 R C -1.803 174.553 176.300 0.094 0.000 1.058 3283 R CA -0.495 55.678 56.100 0.121 0.000 0.991 3283 R CB 0.117 30.426 30.300 0.015 0.000 1.140 3283 R HN 0.481 nan 8.270 nan 0.000 0.518 3284 Y N 3.268 123.687 120.300 0.198 0.000 2.531 3284 Y HA 0.025 4.575 4.550 0.000 0.000 0.347 3284 Y C 1.323 177.299 175.900 0.126 0.000 1.024 3284 Y CA -0.232 58.000 58.100 0.220 0.000 1.306 3284 Y CB 0.473 39.077 38.460 0.241 0.000 1.149 3284 Y HN 0.483 nan 8.280 nan 0.000 0.527 3285 L N 1.905 123.252 121.223 0.207 0.000 2.162 3285 L HA 0.013 4.353 4.340 0.000 0.000 0.205 3285 L C 0.793 177.782 176.870 0.199 0.000 1.086 3285 L CA 0.679 55.580 54.840 0.102 0.000 0.778 3285 L CB -0.131 41.897 42.059 -0.052 0.000 0.928 3285 L HN 0.625 nan 8.230 nan 0.000 0.446 3286 S N -2.049 113.833 115.700 0.304 0.000 2.570 3286 S HA 0.595 5.065 4.470 0.000 0.000 0.270 3286 S C -0.628 174.187 174.600 0.358 0.000 1.149 3286 S CA -0.701 57.654 58.200 0.259 0.000 0.837 3286 S CB 2.339 65.736 63.200 0.328 0.000 1.124 3286 S HN -0.074 nan 8.310 nan 0.000 0.465 3287 T N 2.003 116.683 114.554 0.210 0.000 2.921 3287 T HA 0.595 4.945 4.350 0.000 0.000 0.297 3287 T C -0.925 173.769 174.700 -0.011 0.000 1.013 3287 T CA -0.420 61.756 62.100 0.126 0.000 0.990 3287 T CB 0.866 69.836 68.868 0.171 0.000 1.023 3287 T HN 0.660 nan 8.240 nan 0.000 0.447 3288 I N 2.336 122.842 120.570 -0.107 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 -0.216 0.000 1.014 3288 I CA -1.008 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 0.716 nan 8.210 nan 0.000 0.431 3289 A N 6.499 129.232 122.820 -0.144 0.000 2.335 3289 A HA 0.736 5.056 4.320 0.000 0.000 0.304 3289 A C -1.003 176.658 177.584 0.127 0.000 1.118 3289 A CA -0.471 51.497 52.037 -0.115 0.000 0.757 3289 A CB 1.289 20.140 19.000 -0.248 0.000 1.188 3289 A HN 0.406 nan 8.150 nan 0.000 0.460 3290 V N 3.447 123.450 119.914 0.149 0.000 2.347 3290 V HA 0.292 4.412 4.120 0.000 0.000 0.280 3290 V C -0.623 175.646 176.094 0.292 0.000 1.021 3290 V CA -0.399 62.031 62.300 0.215 0.000 0.847 3290 V CB 1.129 33.035 31.823 0.138 0.000 0.990 3290 V HN 0.779 nan 8.190 nan 0.000 0.444 3291 F N 5.332 125.363 119.950 0.136 0.000 2.515 3291 F HA 0.356 4.883 4.527 0.000 0.000 0.353 3291 F C 0.467 176.135 175.800 -0.220 0.000 1.213 3291 F CA -1.759 56.241 58.000 -0.001 0.000 1.194 3291 F CB 0.138 39.170 39.000 0.054 0.000 1.488 3291 F HN 0.605 nan 8.300 nan 0.000 0.619 3292 D N 4.171 124.541 120.400 -0.051 0.000 2.435 3292 D HA -0.025 4.615 4.640 0.000 0.000 0.230 3292 D C -0.099 175.878 176.300 -0.538 0.000 1.215 3292 D CA 0.056 53.697 54.000 -0.598 0.000 0.947 3292 D CB -0.312 40.370 40.800 -0.196 0.000 1.048 3292 D HN 0.254 nan 8.370 nan 0.000 0.512 3293 N N 2.826 120.971 118.700 -0.924 0.000 3.050 3293 N HA 0.205 4.945 4.740 0.000 0.000 0.289 3293 N C 0.792 176.015 175.510 -0.478 0.000 1.209 3293 N CA 0.457 53.024 53.050 -0.806 0.000 1.154 3293 N CB -0.443 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 0.922 109.534 108.800 -0.313 0.000 2.273 3294 G HA2 -0.215 3.745 3.960 0.000 0.000 0.280 3294 G HA3 -0.215 3.745 3.960 0.000 0.000 0.280 3294 G C 0.956 175.733 174.900 -0.204 0.000 1.047 3294 G CA 0.524 45.502 45.100 -0.202 0.000 0.869 3294 G HN 1.120 nan 8.290 nan 0.000 0.502 3295 G N -2.404 106.229 108.800 -0.278 0.000 2.195 3295 G HA2 -0.043 3.917 3.960 0.000 0.000 0.246 3295 G HA3 -0.043 3.917 3.960 0.000 0.000 0.246 3295 G C 0.432 175.217 174.900 -0.192 0.000 0.984 3295 G CA 0.654 45.663 45.100 -0.150 0.000 0.633 3295 G HN 1.727 nan 8.290 nan 0.000 0.525 3296 S N 0.144 115.600 115.700 -0.407 0.000 2.489 3296 S HA 0.765 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 2.970 122.811 119.950 -0.181 0.000 2.445 3297 F HA 0.437 4.964 4.527 0.000 0.000 0.348 3297 F C 0.456 176.189 175.800 -0.111 0.000 1.125 3297 F CA -0.860 57.042 58.000 -0.164 0.000 0.983 3297 F CB 1.136 40.043 39.000 -0.156 0.000 1.198 3297 F HN 0.385 nan 8.300 nan 0.000 0.436 3298 N N 1.460 120.151 118.700 -0.015 0.000 2.417 3298 N HA 0.491 5.231 4.740 0.000 0.000 0.300 3298 N C -0.427 175.144 175.510 0.102 0.000 1.102 3298 N CA -0.678 52.385 53.050 0.020 0.000 0.886 3298 N CB 2.220 40.680 38.487 -0.045 0.000 1.203 3298 N HN 0.568 nan 8.380 nan 0.000 0.496 3299 A N 0.667 123.547 122.820 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 52.445 52.037 0.132 0.000 1.408 3299 A CB -1.426 17.632 19.000 0.097 0.000 1.108 3299 A HN 0.911 nan 8.150 nan 0.000 0.621 3300 G N 1.100 110.068 108.800 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 1.357 176.337 174.900 0.133 0.000 0.995 3300 G CA 1.574 46.827 45.100 0.256 0.000 0.622 3300 G HN 1.578 nan 8.290 nan 0.000 0.538 3301 T N -0.697 113.917 114.554 0.100 0.000 3.025 3301 T HA 0.041 4.391 4.350 0.000 0.000 0.270 3301 T C 1.486 176.210 174.700 0.040 0.000 1.126 3301 T CA 1.871 64.005 62.100 0.057 0.000 1.105 3301 T CB -0.232 68.659 68.868 0.039 0.000 0.884 3301 T HN 0.621 nan 8.240 nan 0.000 0.522 3302 D N 0.309 120.743 120.400 0.056 0.000 2.368 3302 D HA 0.250 4.890 4.640 0.000 0.000 0.218 3302 D C 0.173 176.547 176.300 0.123 0.000 1.112 3302 D CA -0.497 53.542 54.000 0.065 0.000 0.834 3302 D CB -0.284 40.514 40.800 -0.004 0.000 0.953 3302 D HN 0.482 nan 8.370 nan 0.000 0.505 3303 I N 0.473 121.072 120.570 0.049 0.000 2.545 3303 I HA 0.223 4.393 4.170 0.000 0.000 0.292 3303 I C 0.603 176.662 176.117 -0.097 0.000 1.040 3303 I CA -0.863 60.396 61.300 -0.067 0.000 1.068 3303 I CB 2.144 40.047 38.000 -0.162 0.000 1.251 3303 I HN -0.270 nan 8.210 nan 0.000 0.424 3304 N N 3.823 122.413 118.700 -0.182 0.000 2.220 3304 N HA 0.012 4.752 4.740 0.000 0.000 0.182 3304 N C -0.576 174.923 175.510 -0.018 0.000 1.023 3304 N CA 1.347 54.328 53.050 -0.114 0.000 0.856 3304 N CB 0.281 38.652 38.487 -0.193 0.000 0.997 3304 N HN 0.626 nan 8.380 nan 0.000 0.429 3305 Y N -1.855 118.368 120.300 -0.129 0.000 2.713 3305 Y HA 0.642 5.192 4.550 0.000 0.000 0.335 3305 Y C -1.770 173.959 175.900 -0.285 0.000 1.222 3305 Y CA -1.462 56.546 58.100 -0.153 0.000 1.061 3305 Y CB 0.484 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 1.603 122.777 121.223 -0.081 0.000 2.333 3306 L HA 0.927 5.267 4.340 0.000 0.000 0.263 3306 L C -0.140 176.612 176.870 -0.195 0.000 1.014 3306 L CA -0.547 54.007 54.840 -0.478 0.000 0.820 3306 L CB 2.217 43.498 42.059 -1.298 0.000 1.352 3306 L HN 0.897 nan 8.230 nan 0.000 0.421 3307 S N -0.162 115.322 115.700 -0.360 0.000 2.636 3307 S HA 0.545 5.015 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 1.529 64.721 63.200 -0.013 0.000 1.119 3307 S HN 0.576 nan 8.310 nan 0.000 0.470 3308 Q N 1.245 121.043 119.800 -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 -0.584 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 0.005 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 -0.227 55.858 56.100 -0.025 0.000 0.897 3309 R CB 1.702 31.988 30.300 -0.024 0.000 1.192 3309 R HN 0.743 nan 8.270 nan 0.000 0.457 3310 T N 0.051 114.570 114.554 -0.058 0.000 2.948 3310 T HA 0.582 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 61.316 62.100 -0.055 0.000 1.013 3310 T CB 1.570 70.364 68.868 -0.122 0.000 1.117 3310 T HN 0.646 nan 8.240 nan 0.000 0.533 3311 A N 0.912 123.730 122.820 -0.003 0.000 2.535 3311 A HA 0.511 4.830 4.320 0.000 0.000 0.290 3311 A C 1.315 178.895 177.584 -0.007 0.000 1.270 3311 A CA 0.419 52.456 52.037 -0.001 0.000 0.937 3311 A CB -2.206 16.800 19.000 0.010 0.000 1.096 3311 A HN 1.976 nan 8.150 nan 0.000 0.534 3312 N N 0.009 118.700 118.700 -0.015 0.000 2.542 3312 N HA 0.378 5.118 4.740 0.000 0.000 0.218 3312 N C 1.127 176.623 175.510 -0.023 0.000 1.607 3312 N CA 0.809 53.849 53.050 -0.017 0.000 3.190 3312 N CB -1.912 36.564 38.487 -0.018 0.000 1.504 3312 N HN 2.273 nan 8.380 nan 0.000 1.106 3313 F N -0.288 119.647 119.950 -0.024 0.000 3.048 3313 F HA -0.096 4.431 4.527 0.000 0.000 0.287 3313 F C 1.018 176.796 175.800 -0.037 0.000 0.796 3313 F CA 1.777 59.760 58.000 -0.027 0.000 1.111 3313 F CB -2.196 36.790 39.000 -0.023 0.000 1.320 3313 F HN 1.533 nan 8.300 nan 0.000 0.430 3314 S N 1.417 117.092 115.700 -0.041 0.000 2.439 3314 S HA 0.458 4.928 4.470 0.000 0.000 0.282 3314 S C -0.305 174.258 174.600 -0.061 0.000 1.170 3314 S CA -0.001 58.169 58.200 -0.050 0.000 1.054 3314 S CB 0.306 63.477 63.200 -0.049 0.000 0.956 3314 S HN 0.486 nan 8.310 nan 0.000 0.490 3315 D N 3.411 123.772 120.400 -0.065 0.000 2.264 3315 D HA 0.147 4.787 4.640 0.000 0.000 0.250 3315 D C 1.127 177.389 176.300 -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 0.714 nan 8.370 nan 0.000 0.447 3316 T N -0.443 114.075 114.554 -0.060 0.000 3.065 3316 T HA 0.003 4.353 4.350 0.000 0.000 0.252 3316 T C 0.977 175.650 174.700 -0.044 0.000 1.099 3316 T CA -0.119 61.944 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 -0.870 175.479 176.300 0.082 0.000 1.474 3317 R CA -0.648 55.455 56.100 0.004 0.000 1.435 3317 R CB -0.314 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 2.987 123.393 120.400 0.010 0.000 2.292 3318 K HA 0.281 4.601 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 0.435 32.809 32.500 -0.209 0.000 1.089 3318 K HN 0.447 nan 8.250 nan 0.000 0.473 3319 L N 3.377 124.702 121.223 0.170 0.000 2.370 3319 L HA 0.355 4.695 4.340 0.000 0.000 0.266 3319 L C -0.294 176.710 176.870 0.223 0.000 1.002 3319 L CA -1.384 53.579 54.840 0.204 0.000 0.818 3319 L CB 1.928 44.170 42.059 0.305 0.000 1.325 3319 L HN 0.716 nan 8.230 nan 0.000 0.418 3320 D N 0.693 121.195 120.400 0.171 0.000 2.368 3320 D HA 0.128 4.768 4.640 0.000 0.000 0.240 3320 D C -2.097 174.311 176.300 0.181 0.000 1.169 3320 D CA -1.148 52.945 54.000 0.155 0.000 0.906 3320 D CB 0.628 41.499 40.800 0.118 0.000 1.187 3320 D HN 0.207 nan 8.370 nan 0.000 0.435 3321 P HA -0.198 nan 4.420 nan 0.000 0.216 3321 P C 1.005 178.468 177.300 0.271 0.000 1.153 3321 P CA 1.501 64.697 63.100 0.159 0.000 0.858 3321 P CB 0.112 31.869 31.700 0.095 0.000 0.789 3322 K N -1.212 119.311 120.400 0.204 0.000 2.097 3322 K HA -0.048 4.272 4.320 0.000 0.000 0.205 3322 K C 1.915 178.634 176.600 0.199 0.000 1.050 3322 K CA 1.543 57.945 56.287 0.193 0.000 0.938 3322 K CB -0.627 31.953 32.500 0.134 0.000 0.718 3322 K HN 0.165 nan 8.250 nan 0.000 0.442 3323 T N 0.470 115.139 114.554 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 68.811 68.868 0.125 0.000 0.879 3323 T HN 0.426 nan 8.240 nan 0.000 0.467 3324 W N 2.280 123.645 121.300 0.109 0.000 2.355 3324 W HA -0.090 4.571 4.660 0.000 0.000 0.309 3324 W C 2.467 179.103 176.519 0.196 0.000 1.206 3324 W CA 1.297 58.728 57.345 0.143 0.000 1.284 3324 W CB -0.640 28.908 29.460 0.148 0.000 1.145 3324 W HN 0.292 nan 8.180 nan 0.000 0.502 3325 A N 0.941 124.055 122.820 0.490 0.000 1.933 3325 A HA -0.088 4.232 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 2.685 54.948 52.037 0.376 0.000 0.628 3325 A CB -1.254 17.940 19.000 0.323 0.000 0.814 3325 A HN 0.305 nan 8.150 nan 0.000 0.444 3326 A N -0.827 122.083 122.820 0.150 0.000 1.908 3326 A HA -0.211 4.109 4.320 0.000 0.000 0.218 3326 A C 2.093 179.707 177.584 0.050 0.000 1.181 3326 A CA 1.742 53.830 52.037 0.085 0.000 0.627 3326 A CB -0.484 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 -0.535 119.270 119.800 0.008 0.000 2.124 3327 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 3327 Q C 2.113 178.129 176.000 0.026 0.000 0.977 3327 Q CA 1.983 57.762 55.803 -0.041 0.000 0.850 3327 Q CB -1.219 27.406 28.738 -0.189 0.000 0.901 3327 Q HN 0.646 nan 8.270 nan 0.000 0.429 3328 T N 1.040 115.650 114.554 0.092 0.000 2.821 3328 T HA -0.051 4.299 4.350 0.000 0.000 0.267 3328 T C 1.808 176.571 174.700 0.105 0.000 1.046 3328 T CA 0.710 62.938 62.100 0.212 0.000 1.139 3328 T CB -0.035 69.059 68.868 0.376 0.000 0.871 3328 T HN 0.258 nan 8.240 nan 0.000 0.454 3329 R N 0.702 121.244 120.500 0.070 0.000 2.152 3329 R HA 0.038 4.378 4.340 0.000 0.000 0.232 3329 R C 2.440 178.745 176.300 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 0.130 120.646 120.500 0.026 0.000 2.189 3330 R HA 0.022 4.362 4.340 0.000 0.000 0.218 3330 R C 1.886 178.202 176.300 0.026 0.000 1.074 3330 R CA 0.711 56.823 56.100 0.019 0.000 0.991 3330 R CB 0.028 30.340 30.300 0.020 0.000 0.883 3330 R HN 0.163 nan 8.270 nan 0.000 0.457 3331 R N 0.506 121.036 120.500 0.050 0.000 2.105 3331 R HA 0.140 4.480 4.340 0.000 0.000 0.214 3331 R C 2.051 178.344 176.300 -0.012 0.000 1.091 3331 R CA 0.837 56.977 56.100 0.067 0.000 1.007 3331 R CB -0.035 30.383 30.300 0.197 0.000 0.912 3331 R HN 0.311 nan 8.270 nan 0.000 0.450 3332 I N -3.760 116.761 120.570 -0.081 0.000 4.050 3332 I HA 0.472 4.642 4.170 0.000 0.000 0.327 3332 I C 0.487 176.513 176.117 -0.150 0.000 1.473 3332 I CA 0.104 61.301 61.300 -0.172 0.000 1.124 3332 I CB 0.836 38.601 38.000 -0.392 0.000 1.129 3332 I HN -0.026 nan 8.210 nan 0.000 0.428 3333 A N 0.247 123.012 122.820 -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 -0.078 0.000 1.351 3333 A CA 1.706 53.701 52.037 -0.070 0.000 0.904 3333 A CB -2.288 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 -1.890 112.598 114.554 -0.110 0.000 2.654 3334 T HA 0.497 4.847 4.350 0.000 0.000 0.303 3334 T C -2.135 172.485 174.700 -0.132 0.000 1.656 3334 T CA 0.136 62.174 62.100 -0.102 0.000 0.971 3334 T CB 0.939 69.738 68.868 -0.114 0.000 1.811 3334 T HN 0.285 nan 8.240 nan 0.000 0.483 3335 D N 0.560 120.902 120.400 -0.096 0.000 2.217 3335 D HA 0.515 5.155 4.640 0.000 0.000 0.248 3335 D C -0.288 175.925 176.300 -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 0.580 120.472 119.950 -0.096 0.000 2.435 3336 F HA 0.217 4.744 4.527 0.000 0.000 0.316 3336 F C -1.337 174.368 175.800 -0.158 0.000 1.220 3336 F CA -1.254 56.613 58.000 -0.222 0.000 1.241 3336 F CB 0.054 38.816 39.000 -0.397 0.000 1.234 3336 F HN 0.061 nan 8.300 nan 0.000 0.569 3337 P HA -0.010 nan 4.420 nan 0.000 0.270 3337 P C -1.156 176.181 177.300 0.061 0.000 1.227 3337 P CA -0.256 62.915 63.100 0.118 0.000 0.788 3337 P CB 0.333 32.203 31.700 0.282 0.000 0.926 3338 K N 1.180 121.622 120.400 0.070 0.000 2.530 3338 K HA 0.105 4.425 4.320 0.000 0.000 0.280 3338 K C 1.299 177.960 176.600 0.101 0.000 1.004 3338 K CA 1.290 57.618 56.287 0.069 0.000 1.071 3338 K CB -0.766 31.792 32.500 0.097 0.000 0.876 3338 K HN 0.861 nan 8.250 nan 0.000 0.487 3339 G N 1.187 109.993 108.800 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 -0.143 0.000 0.977 3339 G CA 0.074 45.223 45.100 0.082 0.000 0.641 3339 G HN 0.431 nan 8.290 nan 0.000 0.533 3340 V N 1.053 120.736 119.914 -0.384 0.000 2.370 3340 V HA 0.645 4.765 4.120 0.000 0.000 0.279 3340 V C -0.271 175.438 176.094 -0.641 0.000 1.029 3340 V CA -0.768 61.304 62.300 -0.380 0.000 0.870 3340 V CB 0.809 32.408 31.823 -0.374 0.000 0.984 3340 V HN 0.255 nan 8.190 nan 0.000 0.451 3341 Y N 4.190 124.528 120.300 0.064 0.000 2.393 3341 Y HA 0.617 5.167 4.550 0.000 0.000 0.341 3341 Y C -0.502 175.571 175.900 0.289 0.000 0.988 3341 Y CA -0.780 57.457 58.100 0.228 0.000 1.078 3341 Y CB 1.827 40.343 38.460 0.094 0.000 1.203 3341 Y HN 0.633 nan 8.280 nan 0.000 0.453 3342 Y N 2.247 122.844 120.300 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 -1.837 56.456 58.100 0.323 0.000 1.079 3342 Y CB 1.734 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 6.596 125.671 119.300 -0.377 0.000 2.505 3343 C HA 0.362 4.822 4.460 0.000 0.000 0.342 3343 C C -1.312 173.306 174.990 -0.619 0.000 1.121 3343 C CA -0.717 58.136 59.018 -0.276 0.000 1.306 3343 C CB -0.064 27.897 27.740 0.369 0.000 1.897 3343 C HN 0.888 nan 8.230 nan 0.000 0.446 3344 D N 3.905 124.003 120.400 -0.503 0.000 2.280 3344 D HA 0.299 4.939 4.640 0.000 0.000 0.243 3344 D C 0.105 176.375 176.300 -0.050 0.000 1.129 3344 D CA 0.323 54.196 54.000 -0.212 0.000 0.848 3344 D CB 0.762 41.566 40.800 0.007 0.000 1.107 3344 D HN 0.712 nan 8.370 nan 0.000 0.471 3345 N N 3.417 122.132 118.700 0.024 0.000 2.377 3345 N HA 0.093 4.833 4.740 0.000 0.000 0.259 3345 N C 1.103 176.651 175.510 0.063 0.000 1.332 3345 N CA -0.163 52.917 53.050 0.050 0.000 0.877 3345 N CB 0.699 39.230 38.487 0.074 0.000 1.299 3345 N HN 0.358 nan 8.380 nan 0.000 0.501 3346 R N 0.533 121.076 120.500 0.072 0.000 2.083 3346 R HA -0.067 4.273 4.340 0.000 0.000 0.237 3346 R C 0.726 177.044 176.300 0.031 0.000 1.137 3346 R CA 1.289 57.424 56.100 0.059 0.000 0.951 3346 R CB 0.061 30.437 30.300 0.127 0.000 0.851 3346 R HN 0.069 nan 8.270 nan 0.000 0.434 3347 D N 0.231 120.658 120.400 0.045 0.000 2.224 3347 D HA -0.029 4.611 4.640 0.000 0.000 0.205 3347 D C 0.135 176.460 176.300 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 0.642 121.075 120.400 0.054 0.000 2.827 3348 K HA 0.279 4.599 4.320 0.000 0.000 0.186 3348 K C -2.746 173.920 176.600 0.109 0.000 1.093 3348 K CA -1.449 54.888 56.287 0.083 0.000 0.993 3348 K CB 2.389 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 -0.058 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 -0.120 63.054 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 3.726 124.417 120.570 0.202 0.000 2.598 3350 I HA -0.019 4.151 4.170 0.000 0.000 0.284 3350 I C -0.003 176.341 176.117 0.379 0.000 1.140 3350 I CA 0.366 61.782 61.300 0.194 0.000 1.420 3350 I CB -1.072 36.734 38.000 -0.323 0.000 1.387 3350 I HN 0.417 nan 8.210 nan 0.000 0.553 3351 Y N 6.528 126.936 120.300 0.180 0.000 2.359 3351 Y HA 0.216 4.766 4.550 0.000 0.000 0.336 3351 Y C 0.318 176.150 175.900 -0.112 0.000 1.098 3351 Y CA -1.334 56.781 58.100 0.025 0.000 1.272 3351 Y CB 0.873 39.290 38.460 -0.071 0.000 1.112 3351 Y HN 0.709 nan 8.280 nan 0.000 0.481 3352 T N 2.342 116.806 114.554 -0.150 0.000 2.903 3352 T HA 0.376 4.726 4.350 0.000 0.000 0.314 3352 T C 0.852 175.221 174.700 -0.550 0.000 1.078 3352 T CA 0.603 62.582 62.100 -0.202 0.000 1.114 3352 T CB 0.828 69.652 68.868 -0.073 0.000 0.987 3352 T HN 0.945 nan 8.240 nan 0.000 0.548 3353 L N -1.108 119.880 121.223 -0.392 0.000 3.294 3353 L HA -0.181 4.159 4.340 0.000 0.000 0.437 3353 L C 1.615 178.252 176.870 -0.389 0.000 0.749 3353 L CA 1.227 55.833 54.840 -0.390 0.000 2.510 3353 L CB -1.496 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 0.365 119.854 119.800 -0.518 0.000 2.391 3354 Q HA 0.070 4.410 4.340 0.000 0.000 0.243 3354 Q C -0.189 175.567 176.000 -0.407 0.000 0.874 3354 Q CA 0.851 56.356 55.803 -0.498 0.000 0.950 3354 Q CB 0.904 29.228 28.738 -0.690 0.000 1.103 3354 Q HN 0.636 nan 8.270 nan 0.000 0.544 3355 Y N -2.334 117.937 120.300 -0.048 0.000 2.988 3355 Y HA 0.546 5.096 4.550 0.000 0.000 0.241 3355 Y C -0.048 175.828 175.900 -0.040 0.000 0.904 3355 Y CA -0.930 57.152 58.100 -0.031 0.000 1.146 3355 Y CB -0.427 38.027 38.460 -0.011 0.000 1.178 3355 Y HN 0.156 nan 8.280 nan 0.000 0.584 3356 G N 1.764 110.637 108.800 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 -0.337 174.620 174.900 0.094 0.000 1.448 3356 G CA -0.254 44.890 45.100 0.073 0.000 0.911 3356 G HN 0.651 nan 8.290 nan 0.000 0.553 3357 N N -0.862 117.867 118.700 0.047 0.000 2.454 3357 N HA 0.329 5.069 4.740 0.000 0.000 0.254 3357 N C 0.244 175.799 175.510 0.075 0.000 1.228 3357 N CA 0.262 53.342 53.050 0.050 0.000 0.900 3357 N CB 1.399 39.896 38.487 0.018 0.000 1.089 3357 N HN 0.585 nan 8.380 nan 0.000 0.449 3358 V N -0.242 119.742 119.914 0.117 0.000 2.864 3358 V HA 0.826 4.946 4.120 0.000 0.000 0.314 3358 V C 0.600 176.857 176.094 0.270 0.000 1.073 3358 V CA -0.870 61.510 62.300 0.134 0.000 0.956 3358 V CB 2.119 33.981 31.823 0.064 0.000 1.023 3358 V HN 0.811 nan 8.190 nan 0.000 0.435 3359 G N 0.809 109.754 108.800 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 0.194 0.000 0.953 3359 G HN 0.479 nan 8.290 nan 0.000 0.482 3360 F N 1.922 121.871 119.950 -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 -0.027 0.000 1.112 3360 F CA -0.473 57.557 58.000 0.052 0.000 1.096 3360 F CB 1.680 40.657 39.000 -0.038 0.000 1.129 3360 F HN 0.282 nan 8.300 nan 0.000 0.486 3361 V N 6.444 126.065 119.914 -0.488 0.000 2.555 3361 V HA 0.600 4.720 4.120 0.000 0.000 0.302 3361 V C -0.873 174.998 176.094 -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 -0.136 0.000 0.991 3361 V HN 0.574 nan 8.190 nan 0.000 0.434 3362 V N 3.739 123.537 119.914 -0.193 0.000 2.525 3362 V HA 0.468 4.588 4.120 0.000 0.000 0.299 3362 V C -0.415 175.478 176.094 -0.335 0.000 1.034 3362 V CA -0.653 61.461 62.300 -0.309 0.000 0.863 3362 V CB 2.018 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 6.719 125.081 118.700 -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 51.044 53.050 -0.601 0.000 0.931 3363 N CB 2.546 40.334 38.487 -1.166 0.000 1.122 3363 N HN 0.343 nan 8.380 nan 0.000 0.508 3364 P HA 0.148 nan 4.420 nan 0.000 0.279 3364 P C 0.161 177.389 177.300 -0.120 0.000 1.239 3364 P CA -0.181 62.790 63.100 -0.215 0.000 0.789 3364 P CB 1.998 33.568 31.700 -0.218 0.000 0.933 3365 K N 1.637 122.007 120.400 -0.051 0.000 2.211 3365 K HA 0.085 4.405 4.320 0.000 0.000 0.201 3365 K C -0.115 176.480 176.600 -0.010 0.000 1.052 3365 K CA 0.895 57.161 56.287 -0.034 0.000 0.973 3365 K CB 0.333 32.822 32.500 -0.019 0.000 0.766 3365 K HN 0.428 nan 8.250 nan 0.000 0.466 3366 T N 0.583 115.151 114.554 0.024 0.000 2.916 3366 T HA 0.409 4.759 4.350 0.000 0.000 0.298 3366 T C -1.539 173.189 174.700 0.046 0.000 1.031 3366 T CA -0.705 61.401 62.100 0.009 0.000 0.993 3366 T CB 2.345 71.200 68.868 -0.021 0.000 1.045 3366 T HN -0.191 nan 8.240 nan 0.000 0.454 3367 V N 4.121 124.042 119.914 0.012 0.000 2.419 3367 V HA 0.412 4.532 4.120 0.000 0.000 0.287 3367 V C -0.356 175.717 176.094 -0.035 0.000 1.017 3367 V CA -1.112 61.203 62.300 0.024 0.000 0.844 3367 V CB 1.507 33.336 31.823 0.011 0.000 1.011 3367 V HN 0.774 nan 8.190 nan 0.000 0.429 3368 N N 2.340 120.992 118.700 -0.080 0.000 2.379 3368 N HA 0.232 4.972 4.740 0.000 0.000 0.260 3368 N C 0.027 175.493 175.510 -0.072 0.000 1.254 3368 N CA -0.492 52.504 53.050 -0.091 0.000 0.958 3368 N CB 0.750 39.154 38.487 -0.139 0.000 1.208 3368 N HN 0.779 nan 8.380 nan 0.000 0.532 3369 Q N 0.575 120.337 119.800 -0.063 0.000 2.337 3369 Q HA -0.015 4.325 4.340 0.000 0.000 0.270 3369 Q C -0.501 175.466 176.000 -0.054 0.000 1.002 3369 Q CA 0.125 55.899 55.803 -0.047 0.000 0.888 3369 Q CB 0.161 28.877 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 -1.239 174.241 175.510 -0.050 0.000 1.111 3370 N CA 0.954 53.982 53.050 -0.036 0.000 0.711 3370 N CB -1.664 36.803 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 52.214 52.037 -0.027 0.000 0.794 3371 A CB 0.621 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 0.782 121.299 120.500 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 55.166 56.100 -0.012 0.000 0.877 3372 R CB 0.868 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 2.628 123.859 121.223 0.013 0.000 2.296 3373 L HA 0.478 4.818 4.340 0.000 0.000 0.286 3373 L C -0.646 176.293 176.870 0.116 0.000 1.023 3373 L CA -1.032 53.848 54.840 0.066 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 0.144 0.000 2.257 3374 L HA 0.420 4.760 4.340 0.000 0.000 0.290 3374 L C -0.199 176.742 176.870 0.118 0.000 1.044 3374 L CA -0.316 54.643 54.840 0.198 0.000 0.810 3374 L CB 1.109 43.363 42.059 0.326 0.000 1.193 3374 L HN 0.487 nan 8.230 nan 0.000 0.425 3375 M N 2.854 122.444 119.600 -0.016 0.000 2.209 3375 M HA 0.455 4.935 4.480 0.000 0.000 0.355 3375 M C 0.334 176.342 176.300 -0.487 0.000 1.171 3375 M CA -0.337 54.773 55.300 -0.316 0.000 1.069 3375 M CB 1.349 33.710 32.600 -0.398 0.000 1.622 3375 M HN 0.559 nan 8.290 nan 0.000 0.459 3376 G N 3.522 111.908 108.800 -0.690 0.000 2.544 3376 G HA2 0.680 4.640 3.960 0.000 0.000 0.313 3376 G HA3 0.680 4.640 3.960 0.000 0.000 0.313 3376 G C -1.781 172.743 174.900 -0.627 0.000 1.316 3376 G CA -0.251 44.243 45.100 -1.009 0.000 0.944 3376 G HN 0.597 nan 8.290 nan 0.000 0.489 3377 Y N 0.232 120.586 120.300 0.089 0.000 2.485 3377 Y HA 0.579 5.129 4.550 0.000 0.000 0.345 3377 Y C 0.297 176.453 175.900 0.427 0.000 0.998 3377 Y CA -0.934 57.404 58.100 0.396 0.000 1.059 3377 Y CB 2.808 41.627 38.460 0.598 0.000 1.234 3377 Y HN 0.488 nan 8.280 nan 0.000 0.461 3378 E N 2.744 123.278 120.200 0.557 0.000 2.191 3378 E HA 0.425 4.775 4.350 0.000 0.000 0.263 3378 E C -1.873 174.889 176.600 0.269 0.000 0.881 3378 E CA -0.674 55.892 56.400 0.276 0.000 0.757 3378 E CB 1.265 31.153 29.700 0.314 0.000 1.147 3378 E HN 0.585 nan 8.360 nan 0.000 0.414 3379 Y N 1.732 122.035 120.300 0.005 0.000 2.670 3379 Y HA 0.569 5.119 4.550 0.000 0.000 0.334 3379 Y C -1.885 173.971 175.900 -0.074 0.000 1.185 3379 Y CA -1.465 56.541 58.100 -0.157 0.000 1.053 3379 Y CB 1.016 39.231 38.460 -0.407 0.000 1.298 3379 Y HN 0.286 nan 8.280 nan 0.000 0.459 3380 F N 0.811 120.861 119.950 0.167 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 0.075 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 1.047 115.753 114.554 0.253 0.000 2.853 3381 T HA 0.293 4.643 4.350 0.000 0.000 0.311 3381 T C -1.040 173.710 174.700 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 2.114 117.860 115.700 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 57.631 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 1.215 121.719 120.500 0.005 0.000 2.726 3383 R HA 0.468 4.808 4.340 0.000 0.000 0.272 3383 R C 0.636 176.948 176.300 0.021 0.000 1.097 3383 R CA 0.831 56.932 56.100 0.002 0.000 1.198 3383 R CB -0.369 29.932 30.300 0.002 0.000 1.114 3383 R HN 0.918 nan 8.270 nan 0.000 0.550 3384 T N 0.000 114.569 114.554 0.025 0.000 3.816 3384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 3384 T CA 0.000 62.118 62.100 0.031 0.000 1.349 3384 T CB 0.000 68.884 68.868 0.027 0.000 0.612 3384 T HN 0.000 nan 8.240 nan 0.000 0.658