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_C DATA FIRST_RESID 3014 DATA SEQUENCE ALRNQQAMAA NLQARQIVLQ QSYPVIQQVE TQTFDPANRS VFDVTPANVG DATA SEQUENCE IVKGFLVKVT AAITNNHATE AVALTDFGPA NLVQRVIYYD PDNQRHTETS DATA SEQUENCE GWHLHFVNTA KQGAPFLSSM VTDSPIKYGD VMNVIDAPAT IAAGATGELT DATA SEQUENCE MYYWVPLAYS ETDLTGAVLA NVPQSKQRLK LEFANNNTAF AAVGANPLEA DATA SEQUENCE IYQGAGAADC EFEEISYTVY QSYLDQLPVG QNGYILPLID LSTLYNLENS DATA SEQUENCE AQAGLTPNVD FVVQYANLYR YLSTIAVFDN GGSFNAGTDI NYLSQRTANF DATA SEQUENCE SDTRKLDPKT WAAQTRRRIA TDFPKGVYYC DNRDKPIYTL QYGNVGFVVN DATA SEQUENCE PKTVNQNARL LMGYEYFTSR 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 2.747 3015 L HA 0.606 4.946 4.340 0.000 0.000 0.248 3015 L C 2.170 179.039 176.870 -0.002 0.000 1.191 3015 L CA 1.799 56.639 54.840 -0.001 0.000 1.003 3015 L CB -2.771 39.288 42.059 -0.001 0.000 1.235 3015 L HN 1.250 nan 8.230 nan 0.000 0.426 3016 R N 0.640 121.139 120.500 -0.001 0.000 2.119 3016 R HA -0.113 4.227 4.340 0.000 0.000 0.222 3016 R C 1.981 178.279 176.300 -0.004 0.000 1.088 3016 R CA 1.595 57.694 56.100 -0.002 0.000 0.984 3016 R CB -1.209 29.090 30.300 -0.000 0.000 0.884 3016 R HN 1.012 nan 8.270 nan 0.000 0.447 3017 N N -0.662 118.035 118.700 -0.005 0.000 2.333 3017 N HA -0.120 4.620 4.740 0.000 0.000 0.178 3017 N C 1.810 177.313 175.510 -0.011 0.000 1.018 3017 N CA 1.195 54.240 53.050 -0.009 0.000 0.882 3017 N CB -0.252 38.229 38.487 -0.009 0.000 0.984 3017 N HN 0.594 nan 8.380 nan 0.000 0.434 3018 Q N -0.039 119.756 119.800 -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 1.504 57.302 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 1.941 177.937 176.000 -0.007 0.000 0.957 3019 Q CA 0.914 56.714 55.803 -0.006 0.000 0.857 3019 Q CB 0.040 28.776 28.738 -0.003 0.000 0.929 3019 Q HN 0.372 nan 8.270 nan 0.000 0.453 3020 A N 0.828 123.643 122.820 -0.009 0.000 1.898 3020 A HA -0.152 4.168 4.320 0.000 0.000 0.216 3020 A C 2.053 179.627 177.584 -0.018 0.000 1.181 3020 A CA 1.087 53.117 52.037 -0.012 0.000 0.620 3020 A CB -0.295 18.698 19.000 -0.013 0.000 0.819 3020 A HN 0.209 nan 8.150 nan 0.000 0.442 3021 M N -0.308 119.279 119.600 -0.022 0.000 2.086 3021 M HA -0.124 4.356 4.480 0.000 0.000 0.261 3021 M C 2.529 178.815 176.300 -0.023 0.000 1.067 3021 M CA 1.678 56.961 55.300 -0.029 0.000 1.116 3021 M CB -1.461 31.121 32.600 -0.029 0.000 1.348 3021 M HN 0.490 nan 8.290 nan 0.000 0.407 3022 A N 0.080 122.890 122.820 -0.016 0.000 1.902 3022 A HA 0.009 4.329 4.320 0.000 0.000 0.217 3022 A C 2.417 179.995 177.584 -0.010 0.000 1.181 3022 A CA 2.061 54.090 52.037 -0.012 0.000 0.623 3022 A CB -0.884 18.111 19.000 -0.008 0.000 0.818 3022 A HN 0.482 nan 8.150 nan 0.000 0.443 3023 A N 0.293 123.108 122.820 -0.008 0.000 1.902 3023 A HA -0.219 4.101 4.320 0.000 0.000 0.217 3023 A C 1.963 179.543 177.584 -0.007 0.000 1.181 3023 A CA 2.131 54.166 52.037 -0.004 0.000 0.623 3023 A CB -0.794 18.204 19.000 -0.002 0.000 0.818 3023 A HN 0.651 nan 8.150 nan 0.000 0.443 3024 N N -0.284 118.408 118.700 -0.014 0.000 2.025 3024 N HA -0.170 4.570 4.740 0.000 0.000 0.194 3024 N C 1.602 177.100 175.510 -0.020 0.000 1.044 3024 N CA 1.766 54.804 53.050 -0.020 0.000 0.851 3024 N CB -0.368 38.098 38.487 -0.034 0.000 1.036 3024 N HN 0.283 nan 8.380 nan 0.000 0.422 3025 L N 1.250 122.460 121.223 -0.023 0.000 2.042 3025 L HA -0.178 4.162 4.340 0.000 0.000 0.210 3025 L C 2.348 179.211 176.870 -0.011 0.000 1.076 3025 L CA 1.862 56.690 54.840 -0.020 0.000 0.749 3025 L CB -1.204 40.843 42.059 -0.019 0.000 0.893 3025 L HN 0.434 nan 8.230 nan 0.000 0.432 3026 Q N -0.945 118.851 119.800 -0.007 0.000 2.084 3026 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 3026 Q C 2.121 178.122 176.000 0.001 0.000 0.978 3026 Q CA 1.852 57.654 55.803 -0.002 0.000 0.844 3026 Q CB -0.210 28.528 28.738 0.001 0.000 0.898 3026 Q HN 0.649 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 2.139 179.725 177.584 0.002 0.000 1.181 3027 A CA 1.533 53.574 52.037 0.007 0.000 0.623 3027 A CB -0.701 18.305 19.000 0.010 0.000 0.818 3027 A HN 0.437 nan 8.150 nan 0.000 0.443 3028 R N -0.317 120.180 120.500 -0.006 0.000 2.073 3028 R HA -0.198 4.142 4.340 0.000 0.000 0.234 3028 R C 2.346 178.642 176.300 -0.007 0.000 1.134 3028 R CA 1.955 58.049 56.100 -0.009 0.000 0.952 3028 R CB -0.392 29.898 30.300 -0.016 0.000 0.850 3028 R HN 0.709 nan 8.270 nan 0.000 0.433 3029 Q N 0.080 119.877 119.800 -0.006 0.000 2.096 3029 Q HA -0.173 4.167 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 1.795 57.595 55.803 -0.004 0.000 0.850 3029 Q CB -0.128 28.608 28.738 -0.003 0.000 0.901 3029 Q HN 0.456 nan 8.270 nan 0.000 0.422 3030 I N -0.185 120.387 120.570 0.003 0.000 2.252 3030 I HA -0.234 3.936 4.170 0.000 0.000 0.245 3030 I C 2.208 178.330 176.117 0.008 0.000 1.102 3030 I CA 0.681 61.987 61.300 0.009 0.000 1.385 3030 I CB -0.175 37.834 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 1.794 64.091 62.300 -0.006 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 -0.585 120.631 121.223 -0.011 0.000 2.083 3032 L HA -0.231 4.109 4.340 0.000 0.000 0.209 3032 L C 2.661 179.523 176.870 -0.013 0.000 1.083 3032 L CA 1.644 56.472 54.840 -0.020 0.000 0.752 3032 L CB -0.579 41.467 42.059 -0.022 0.000 0.899 3032 L HN 0.415 nan 8.230 nan 0.000 0.433 3033 Q N -0.896 118.904 119.800 -0.001 0.000 2.187 3033 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 3033 Q C 2.162 178.177 176.000 0.025 0.000 0.957 3033 Q CA 0.801 56.609 55.803 0.009 0.000 0.857 3033 Q CB 0.059 28.803 28.738 0.009 0.000 0.929 3033 Q HN 0.508 nan 8.270 nan 0.000 0.453 3034 Q N 0.459 120.275 119.800 0.025 0.000 2.204 3034 Q HA 0.037 4.377 4.340 0.000 0.000 0.198 3034 Q C 1.310 177.342 176.000 0.053 0.000 0.946 3034 Q CA 0.561 56.387 55.803 0.038 0.000 0.859 3034 Q CB 0.203 28.960 28.738 0.032 0.000 0.946 3034 Q HN 0.258 nan 8.270 nan 0.000 0.474 3035 S N -0.504 115.220 115.700 0.040 0.000 2.645 3035 S HA 0.341 4.811 4.470 0.000 0.000 0.266 3035 S C -0.645 174.017 174.600 0.104 0.000 1.258 3035 S CA -0.653 57.580 58.200 0.056 0.000 0.990 3035 S CB 0.885 64.094 63.200 0.014 0.000 0.967 3035 S HN 0.195 nan 8.310 nan 0.000 0.556 3036 Y N 1.855 122.137 120.300 -0.029 0.000 2.350 3036 Y HA 0.518 5.068 4.550 0.000 0.000 0.338 3036 Y C -2.555 173.295 175.900 -0.083 0.000 0.961 3036 Y CA -2.271 55.801 58.100 -0.046 0.000 1.100 3036 Y CB 1.945 40.383 38.460 -0.037 0.000 1.179 3036 Y HN 0.567 nan 8.280 nan 0.000 0.454 3037 P HA 0.193 nan 4.420 nan 0.000 0.271 3037 P C -1.263 175.809 177.300 -0.381 0.000 1.216 3037 P CA 0.136 62.985 63.100 -0.418 0.000 0.776 3037 P CB 1.941 33.391 31.700 -0.416 0.000 0.881 3038 V N 4.388 124.043 119.914 -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 2.473 33.876 31.823 -0.701 0.000 1.014 3038 V HN 0.534 nan 8.190 nan 0.000 0.425 3039 I N 4.198 124.681 120.570 -0.144 0.000 2.478 3039 I HA 0.638 4.808 4.170 0.000 0.000 0.287 3039 I C -0.840 175.378 176.117 0.168 0.000 1.042 3039 I CA -0.096 61.221 61.300 0.029 0.000 1.067 3039 I CB 1.585 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 5.767 125.758 119.800 0.318 0.000 2.379 3040 Q HA 0.386 4.726 4.340 0.000 0.000 0.278 3040 Q C -1.368 174.858 176.000 0.376 0.000 1.068 3040 Q CA -0.940 55.082 55.803 0.364 0.000 0.816 3040 Q CB 1.934 30.854 28.738 0.304 0.000 1.387 3040 Q HN 0.672 nan 8.270 nan 0.000 0.413 3041 Q N 1.195 121.142 119.800 0.245 0.000 2.330 3041 Q HA 0.105 4.445 4.340 0.000 0.000 0.279 3041 Q C -0.557 175.446 176.000 0.006 0.000 1.024 3041 Q CA 0.133 55.852 55.803 -0.141 0.000 0.900 3041 Q CB 1.085 29.669 28.738 -0.256 0.000 1.221 3041 Q HN 0.707 nan 8.270 nan 0.000 0.396 3042 V N 2.959 122.870 119.914 -0.004 0.000 2.908 3042 V HA 0.191 4.311 4.120 0.000 0.000 0.240 3042 V C 0.184 176.296 176.094 0.031 0.000 1.117 3042 V CA 0.959 63.298 62.300 0.064 0.000 1.133 3042 V CB 0.425 32.327 31.823 0.130 0.000 0.857 3042 V HN 0.926 nan 8.190 nan 0.000 0.478 3043 E N -1.070 119.135 120.200 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 56.067 56.400 0.019 0.000 0.820 3043 E CB 2.219 31.985 29.700 0.110 0.000 1.226 3043 E HN 0.157 nan 8.360 nan 0.000 0.432 3044 T N 2.561 117.025 114.554 -0.150 0.000 2.912 3044 T HA 0.495 4.845 4.350 0.000 0.000 0.299 3044 T C -1.297 173.122 174.700 -0.467 0.000 1.052 3044 T CA -0.626 61.283 62.100 -0.320 0.000 0.996 3044 T CB 1.748 70.492 68.868 -0.206 0.000 1.070 3044 T HN 0.458 nan 8.240 nan 0.000 0.465 3045 Q N 0.788 120.095 119.800 -0.822 0.000 2.353 3045 Q HA 0.582 4.922 4.340 0.000 0.000 0.275 3045 Q C -1.662 174.061 176.000 -0.462 0.000 1.029 3045 Q CA -0.603 54.835 55.803 -0.608 0.000 0.848 3045 Q CB 2.141 30.472 28.738 -0.679 0.000 1.390 3045 Q HN 0.645 nan 8.270 nan 0.000 0.401 3046 T N 3.614 118.048 114.554 -0.199 0.000 2.824 3046 T HA 0.772 5.122 4.350 0.000 0.000 0.282 3046 T C -1.222 173.478 174.700 -0.001 0.000 0.993 3046 T CA -0.371 61.624 62.100 -0.175 0.000 0.967 3046 T CB 0.360 69.133 68.868 -0.157 0.000 0.960 3046 T HN 0.458 nan 8.240 nan 0.000 0.441 3047 F N -0.202 119.639 119.950 -0.182 0.000 2.779 3047 F HA 0.733 5.260 4.527 0.000 0.000 0.316 3047 F C -1.594 174.172 175.800 -0.057 0.000 1.164 3047 F CA -1.319 56.641 58.000 -0.068 0.000 0.924 3047 F CB 1.145 40.168 39.000 0.038 0.000 1.348 3047 F HN 0.301 nan 8.300 nan 0.000 0.467 3048 D N 2.273 122.754 120.400 0.134 0.000 2.349 3048 D HA 0.367 5.007 4.640 0.000 0.000 0.232 3048 D C -1.895 174.559 176.300 0.256 0.000 1.071 3048 D CA -2.618 51.417 54.000 0.059 0.000 0.832 3048 D CB 2.247 43.101 40.800 0.090 0.000 1.086 3048 D HN 0.323 nan 8.370 nan 0.000 0.504 3049 P HA -0.076 nan 4.420 nan 0.000 0.228 3049 P C 0.879 178.301 177.300 0.203 0.000 1.151 3049 P CA 0.414 63.678 63.100 0.275 0.000 0.770 3049 P CB 0.263 31.981 31.700 0.031 0.000 0.786 3050 A N -0.091 122.837 122.820 0.179 0.000 2.066 3050 A HA -0.110 4.210 4.320 0.000 0.000 0.218 3050 A C 2.067 179.724 177.584 0.121 0.000 1.157 3050 A CA 1.136 53.263 52.037 0.151 0.000 0.670 3050 A CB -0.736 18.349 19.000 0.142 0.000 0.804 3050 A HN 0.144 nan 8.150 nan 0.000 0.453 3051 N N -1.019 117.764 118.700 0.138 0.000 2.349 3051 N HA 0.081 4.821 4.740 0.000 0.000 0.180 3051 N C 0.751 176.301 175.510 0.066 0.000 1.024 3051 N CA 0.654 53.765 53.050 0.102 0.000 0.869 3051 N CB 0.116 38.674 38.487 0.120 0.000 1.022 3051 N HN 0.517 nan 8.380 nan 0.000 0.433 3052 R N -0.170 120.391 120.500 0.101 0.000 2.561 3052 R HA 0.229 4.569 4.340 0.000 0.000 0.266 3052 R C -0.683 175.616 176.300 -0.001 0.000 1.091 3052 R CA -0.044 56.022 56.100 -0.058 0.000 0.927 3052 R CB 0.885 31.043 30.300 -0.236 0.000 1.240 3052 R HN 0.097 nan 8.270 nan 0.000 0.449 3053 S N 1.081 116.753 115.700 -0.047 0.000 2.733 3053 S HA 0.209 4.679 4.470 0.000 0.000 0.247 3053 S C -0.228 174.461 174.600 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 2.710 122.496 119.914 -0.212 0.000 2.417 3054 V HA 0.643 4.763 4.120 0.000 0.000 0.291 3054 V C -1.337 174.451 176.094 -0.509 0.000 1.024 3054 V CA -0.553 61.635 62.300 -0.186 0.000 0.861 3054 V CB 0.962 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 2.084 121.972 119.950 -0.103 0.000 2.556 3055 F HA 0.473 5.000 4.527 0.000 0.000 0.314 3055 F C -0.069 175.651 175.800 -0.133 0.000 1.106 3055 F CA -0.837 57.100 58.000 -0.104 0.000 0.911 3055 F CB 1.919 40.883 39.000 -0.059 0.000 1.190 3055 F HN 0.386 nan 8.300 nan 0.000 0.448 3056 D N 3.169 123.589 120.400 0.033 0.000 2.427 3056 D HA 0.360 5.000 4.640 0.000 0.000 0.226 3056 D C -0.965 175.336 176.300 0.001 0.000 1.076 3056 D CA -0.069 53.915 54.000 -0.028 0.000 0.849 3056 D CB 1.427 42.188 40.800 -0.065 0.000 1.052 3056 D HN 0.198 nan 8.370 nan 0.000 0.515 3057 V N 3.306 123.195 119.914 -0.042 0.000 2.546 3057 V HA 0.293 4.413 4.120 0.000 0.000 0.284 3057 V C 0.797 176.851 176.094 -0.067 0.000 1.050 3057 V CA -0.329 61.952 62.300 -0.032 0.000 0.981 3057 V CB 1.665 33.432 31.823 -0.093 0.000 0.990 3057 V HN 0.503 nan 8.190 nan 0.000 0.474 3058 T N 6.740 121.279 114.554 -0.025 0.000 2.929 3058 T HA 0.359 4.709 4.350 0.000 0.000 0.331 3058 T C -2.368 172.335 174.700 0.006 0.000 1.120 3058 T CA -0.902 61.183 62.100 -0.026 0.000 0.973 3058 T CB 0.986 69.847 68.868 -0.013 0.000 1.036 3058 T HN 0.481 nan 8.240 nan 0.000 0.502 3059 P HA 0.309 nan 4.420 nan 0.000 0.269 3059 P C -0.533 176.824 177.300 0.095 0.000 1.215 3059 P CA -0.433 62.744 63.100 0.130 0.000 0.780 3059 P CB 0.459 32.329 31.700 0.285 0.000 0.898 3060 A N 2.304 125.175 122.820 0.085 0.000 2.388 3060 A HA 0.220 4.540 4.320 0.000 0.000 0.257 3060 A C 0.145 177.710 177.584 -0.032 0.000 1.095 3060 A CA -0.275 51.767 52.037 0.009 0.000 0.791 3060 A CB -0.288 18.697 19.000 -0.025 0.000 1.029 3060 A HN 0.465 nan 8.150 nan 0.000 0.489 3061 N N 1.207 119.885 118.700 -0.037 0.000 2.602 3061 N HA 0.427 5.167 4.740 0.000 0.000 0.238 3061 N C -1.246 174.206 175.510 -0.098 0.000 1.084 3061 N CA 0.172 53.197 53.050 -0.041 0.000 0.952 3061 N CB 0.901 39.384 38.487 -0.007 0.000 1.244 3061 N HN 0.307 nan 8.380 nan 0.000 0.512 3062 V N 0.320 120.115 119.914 -0.198 0.000 2.711 3062 V HA 0.624 4.744 4.120 0.000 0.000 0.304 3062 V C 0.829 176.783 176.094 -0.233 0.000 1.097 3062 V CA -0.656 61.488 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 0.783 nan 8.190 nan 0.000 0.427 3063 G N 4.908 113.659 108.800 -0.083 0.000 2.582 3063 G HA2 -0.265 3.695 3.960 0.000 0.000 0.300 3063 G HA3 -0.265 3.695 3.960 0.000 0.000 0.300 3063 G C -0.121 174.770 174.900 -0.015 0.000 1.300 3063 G CA 0.484 45.566 45.100 -0.030 0.000 0.959 3063 G HN 0.842 nan 8.290 nan 0.000 0.548 3064 I N 0.656 121.240 120.570 0.024 0.000 2.315 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 1.006 3064 I CA -0.639 60.675 61.300 0.024 0.000 1.265 3064 I CB 1.462 39.466 38.000 0.007 0.000 1.387 3064 I HN 0.302 nan 8.210 nan 0.000 0.475 3065 V N 7.599 127.520 119.914 0.013 0.000 2.432 3065 V HA 0.171 4.291 4.120 0.000 0.000 0.275 3065 V C 0.809 176.840 176.094 -0.104 0.000 1.043 3065 V CA -0.302 61.970 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 2.788 123.125 120.400 -0.104 0.000 2.308 3066 K HA 0.484 4.804 4.320 0.000 0.000 0.197 3066 K C 0.801 177.299 176.600 -0.169 0.000 1.049 3066 K CA 0.705 56.971 56.287 -0.037 0.000 0.991 3066 K CB 0.670 33.235 32.500 0.109 0.000 0.836 3066 K HN 0.934 nan 8.250 nan 0.000 0.500 3067 G N -0.168 108.303 108.800 -0.548 0.000 2.315 3067 G HA2 0.343 4.303 3.960 0.000 0.000 0.294 3067 G HA3 0.343 4.303 3.960 0.000 0.000 0.294 3067 G C -1.952 172.069 174.900 -1.466 0.000 1.300 3067 G CA -1.061 43.358 45.100 -1.135 0.000 0.843 3067 G HN -0.013 nan 8.290 nan 0.000 0.527 3068 F N -0.516 118.846 119.950 -0.980 0.000 2.547 3068 F HA 0.673 5.200 4.527 0.000 0.000 0.316 3068 F C -0.221 175.469 175.800 -0.183 0.000 1.121 3068 F CA -0.847 56.923 58.000 -0.383 0.000 0.911 3068 F CB 2.356 41.230 39.000 -0.210 0.000 1.179 3068 F HN 0.423 nan 8.300 nan 0.000 0.443 3069 L N 4.370 125.865 121.223 0.452 0.000 2.272 3069 L HA 0.720 5.060 4.340 0.000 0.000 0.289 3069 L C -1.052 176.156 176.870 0.563 0.000 1.032 3069 L CA -0.517 54.715 54.840 0.653 0.000 0.810 3069 L CB 1.148 43.627 42.059 0.700 0.000 1.205 3069 L HN 0.408 nan 8.230 nan 0.000 0.422 3070 V N 5.635 125.842 119.914 0.488 0.000 2.357 3070 V HA 0.392 4.512 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 -0.820 61.699 62.300 0.366 0.000 0.841 3070 V CB 1.170 33.144 31.823 0.252 0.000 0.991 3070 V HN 0.722 nan 8.190 nan 0.000 0.437 3071 K N 4.286 124.756 120.400 0.118 0.000 2.201 3071 K HA 0.677 4.997 4.320 0.000 0.000 0.278 3071 K C -1.328 175.239 176.600 -0.054 0.000 1.027 3071 K CA -0.344 55.725 56.287 -0.364 0.000 0.909 3071 K CB 1.487 33.841 32.500 -0.243 0.000 1.062 3071 K HN 0.498 nan 8.250 nan 0.000 0.465 3072 V N 3.664 123.530 119.914 -0.080 0.000 2.577 3072 V HA 0.335 4.455 4.120 0.000 0.000 0.303 3072 V C -0.288 175.823 176.094 0.027 0.000 1.042 3072 V CA -0.827 61.538 62.300 0.108 0.000 0.872 3072 V CB 1.642 33.659 31.823 0.323 0.000 0.998 3072 V HN 1.022 nan 8.190 nan 0.000 0.423 3073 T N 1.372 115.928 114.554 0.003 0.000 2.924 3073 T HA 0.977 5.327 4.350 0.000 0.000 0.291 3073 T C -0.466 174.232 174.700 -0.002 0.000 1.045 3073 T CA -0.448 61.656 62.100 0.007 0.000 1.015 3073 T CB 2.365 71.227 68.868 -0.010 0.000 1.103 3073 T HN 1.450 nan 8.240 nan 0.000 0.496 3074 A N 0.365 123.220 122.820 0.057 0.000 2.612 3074 A HA 0.898 5.218 4.320 0.000 0.000 0.293 3074 A C -1.109 176.553 177.584 0.130 0.000 1.075 3074 A CA -0.731 51.368 52.037 0.103 0.000 0.680 3074 A CB 1.097 20.263 19.000 0.277 0.000 1.279 3074 A HN 1.732 nan 8.150 nan 0.000 0.411 3075 A N 0.993 123.898 122.820 0.142 0.000 2.330 3075 A HA 0.798 5.118 4.320 0.000 0.000 0.313 3075 A C -0.907 176.751 177.584 0.123 0.000 1.124 3075 A CA -0.293 51.802 52.037 0.097 0.000 0.774 3075 A CB 0.516 19.544 19.000 0.045 0.000 1.198 3075 A HN 0.797 nan 8.150 nan 0.000 0.465 3076 I N 1.588 122.180 120.570 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 -0.291 60.974 61.300 -0.059 0.000 1.068 3076 I CB 2.733 40.671 38.000 -0.104 0.000 1.251 3076 I HN 0.578 nan 8.210 nan 0.000 0.424 3077 T N 4.001 118.456 114.554 -0.165 0.000 2.807 3077 T HA 0.274 4.624 4.350 0.000 0.000 0.279 3077 T C -0.397 174.149 174.700 -0.258 0.000 0.993 3077 T CA -0.602 61.396 62.100 -0.171 0.000 0.970 3077 T CB 1.150 69.957 68.868 -0.101 0.000 0.950 3077 T HN 0.417 nan 8.240 nan 0.000 0.441 3078 N N 2.758 121.317 118.700 -0.234 0.000 2.485 3078 N HA 0.189 4.929 4.740 0.000 0.000 0.243 3078 N C -0.018 175.411 175.510 -0.135 0.000 0.987 3078 N CA -0.519 52.389 53.050 -0.237 0.000 0.940 3078 N CB 0.406 38.759 38.487 -0.224 0.000 1.122 3078 N HN 0.368 nan 8.380 nan 0.000 0.509 3079 N N 1.504 120.133 118.700 -0.119 0.000 2.276 3079 N HA -0.039 4.701 4.740 0.000 0.000 0.212 3079 N C -0.319 175.161 175.510 -0.050 0.000 1.127 3079 N CA -0.111 52.893 53.050 -0.076 0.000 0.834 3079 N CB -0.191 38.248 38.487 -0.079 0.000 1.014 3079 N HN 0.654 nan 8.380 nan 0.000 0.491 3080 H N 0.320 119.324 119.070 -0.109 0.000 2.871 3080 H HA 0.194 4.750 4.556 0.000 0.000 0.355 3080 H C 1.325 176.615 175.328 -0.063 0.000 1.092 3080 H CA 0.388 56.387 56.048 -0.082 0.000 1.420 3080 H CB 1.093 30.804 29.762 -0.084 0.000 1.400 3080 H HN 0.132 nan 8.280 nan 0.000 0.604 3081 A N 2.582 125.195 122.820 -0.346 0.000 1.969 3081 A HA -0.125 4.195 4.320 0.000 0.000 0.218 3081 A C 1.868 179.466 177.584 0.023 0.000 1.169 3081 A CA 2.167 54.116 52.037 -0.146 0.000 0.635 3081 A CB -0.453 18.425 19.000 -0.204 0.000 0.810 3081 A HN 0.889 nan 8.150 nan 0.000 0.445 3082 T N -5.201 109.495 114.554 0.237 0.000 3.074 3082 T HA 0.178 4.528 4.350 0.000 0.000 0.258 3082 T C 0.159 174.939 174.700 0.134 0.000 0.891 3082 T CA -0.260 61.941 62.100 0.169 0.000 0.867 3082 T CB 0.118 69.056 68.868 0.116 0.000 1.261 3082 T HN 0.199 nan 8.240 nan 0.000 0.537 3083 E N 1.739 122.025 120.200 0.144 0.000 2.242 3083 E HA 0.744 5.094 4.350 0.000 0.000 0.275 3083 E C -0.187 176.325 176.600 -0.146 0.000 1.002 3083 E CA -0.421 55.889 56.400 -0.149 0.000 0.841 3083 E CB 1.936 31.364 29.700 -0.453 0.000 1.109 3083 E HN 0.538 nan 8.360 nan 0.000 0.394 3084 A N 1.678 124.434 122.820 -0.107 0.000 2.247 3084 A HA 0.685 5.005 4.320 0.000 0.000 0.313 3084 A C -0.113 177.418 177.584 -0.089 0.000 1.109 3084 A CA -0.546 51.439 52.037 -0.087 0.000 0.890 3084 A CB 0.744 19.716 19.000 -0.047 0.000 1.239 3084 A HN 0.399 nan 8.150 nan 0.000 0.506 3085 V N -4.010 115.868 119.914 -0.059 0.000 3.007 3085 V HA 0.936 5.056 4.120 0.000 0.000 0.311 3085 V C -0.222 175.957 176.094 0.142 0.000 1.120 3085 V CA -0.334 61.980 62.300 0.024 0.000 0.980 3085 V CB 1.100 32.934 31.823 0.019 0.000 1.033 3085 V HN 1.854 nan 8.190 nan 0.000 0.429 3086 A N 2.752 125.709 122.820 0.228 0.000 2.413 3086 A HA 0.856 5.176 4.320 0.000 0.000 0.307 3086 A C -0.548 177.160 177.584 0.207 0.000 1.087 3086 A CA -0.978 51.203 52.037 0.240 0.000 0.750 3086 A CB 1.454 20.513 19.000 0.099 0.000 1.296 3086 A HN 1.081 nan 8.150 nan 0.000 0.423 3087 L N 1.836 123.077 121.223 0.031 0.000 2.514 3087 L HA 0.150 4.490 4.340 0.000 0.000 0.280 3087 L C 1.490 178.263 176.870 -0.160 0.000 1.223 3087 L CA 0.105 54.765 54.840 -0.301 0.000 0.864 3087 L CB 0.504 42.417 42.059 -0.243 0.000 1.118 3087 L HN 0.997 nan 8.230 nan 0.000 0.494 3088 T N -1.998 112.432 114.554 -0.206 0.000 2.770 3088 T HA 0.090 4.440 4.350 0.000 0.000 0.281 3088 T C 0.741 175.359 174.700 -0.137 0.000 0.981 3088 T CA -0.791 61.205 62.100 -0.175 0.000 0.955 3088 T CB 0.791 69.521 68.868 -0.230 0.000 1.060 3088 T HN 0.504 nan 8.240 nan 0.000 0.531 3089 D N -0.243 120.049 120.400 -0.180 0.000 2.178 3089 D HA -0.010 4.630 4.640 0.000 0.000 0.201 3089 D C 1.523 177.979 176.300 0.260 0.000 0.980 3089 D CA 1.038 55.027 54.000 -0.017 0.000 0.842 3089 D CB -0.221 40.524 40.800 -0.092 0.000 0.948 3089 D HN 0.468 nan 8.370 nan 0.000 0.472 3090 F N 0.201 120.089 119.950 -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 0.433 58.408 58.000 -0.041 0.000 1.442 3090 F CB -0.949 38.003 39.000 -0.080 0.000 1.097 3090 F HN -0.019 nan 8.300 nan 0.000 0.547 3091 G N 2.638 111.464 108.800 0.044 0.000 2.685 3091 G HA2 -0.340 3.620 3.960 0.000 0.000 0.329 3091 G HA3 -0.340 3.620 3.960 0.000 0.000 0.329 3091 G C -1.114 173.760 174.900 -0.044 0.000 1.271 3091 G CA 0.575 45.616 45.100 -0.098 0.000 1.003 3091 G HN 0.210 nan 8.290 nan 0.000 0.549 3092 P HA 0.045 nan 4.420 nan 0.000 0.225 3092 P C 1.660 178.971 177.300 0.018 0.000 1.148 3092 P CA 2.313 65.420 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 0.186 122.975 122.820 -0.052 0.000 2.121 3093 A HA -0.115 4.205 4.320 0.000 0.000 0.218 3093 A C 1.878 179.594 177.584 0.221 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 -0.358 118.470 118.700 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 0.029 38.645 38.487 0.214 0.000 0.989 3094 N HN 0.482 nan 8.380 nan 0.000 0.478 3095 L N -0.298 121.096 121.223 0.285 0.000 2.141 3095 L HA -0.012 4.328 4.340 0.000 0.000 0.209 3095 L C 0.328 177.375 176.870 0.295 0.000 1.094 3095 L CA 0.804 55.843 54.840 0.331 0.000 0.763 3095 L CB 0.192 42.469 42.059 0.363 0.000 0.908 3095 L HN -0.116 nan 8.230 nan 0.000 0.437 3096 V N 0.006 120.017 119.914 0.161 0.000 2.370 3096 V HA 0.120 4.240 4.120 0.000 0.000 0.283 3096 V C 0.559 176.559 176.094 -0.157 0.000 1.023 3096 V CA -0.523 61.647 62.300 -0.216 0.000 0.857 3096 V CB 1.675 33.065 31.823 -0.722 0.000 0.985 3096 V HN 0.184 nan 8.190 nan 0.000 0.443 3097 Q N 3.572 123.292 119.800 -0.134 0.000 2.123 3097 Q HA 0.200 4.540 4.340 0.000 0.000 0.196 3097 Q C 0.453 176.362 176.000 -0.153 0.000 0.958 3097 Q CA 1.019 56.785 55.803 -0.061 0.000 0.841 3097 Q CB 0.440 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 -0.758 119.600 120.500 -0.235 0.000 2.707 3098 R HA 0.617 4.957 4.340 0.000 0.000 0.272 3098 R C -1.399 174.709 176.300 -0.320 0.000 1.011 3098 R CA -0.484 55.467 56.100 -0.248 0.000 0.893 3098 R CB 2.376 32.581 30.300 -0.160 0.000 1.233 3098 R HN -0.181 nan 8.270 nan 0.000 0.464 3099 V N 3.215 122.949 119.914 -0.301 0.000 2.686 3099 V HA 0.577 4.697 4.120 0.000 0.000 0.306 3099 V C -1.032 174.930 176.094 -0.221 0.000 1.065 3099 V CA -0.742 61.376 62.300 -0.303 0.000 0.894 3099 V CB 2.085 33.696 31.823 -0.354 0.000 1.004 3099 V HN 0.533 nan 8.190 nan 0.000 0.424 3100 I N 4.685 125.145 120.570 -0.184 0.000 2.569 3100 I HA 0.493 4.663 4.170 0.000 0.000 0.290 3100 I C -1.161 174.873 176.117 -0.139 0.000 1.088 3100 I CA -0.525 60.670 61.300 -0.174 0.000 1.047 3100 I CB 1.972 39.884 38.000 -0.147 0.000 1.237 3100 I HN 0.638 nan 8.210 nan 0.000 0.421 3101 Y N 6.097 126.213 120.300 -0.307 0.000 2.393 3101 Y HA 0.715 5.265 4.550 0.000 0.000 0.341 3101 Y C -1.734 173.994 175.900 -0.286 0.000 0.988 3101 Y CA -0.852 57.106 58.100 -0.237 0.000 1.078 3101 Y CB 1.351 39.681 38.460 -0.216 0.000 1.203 3101 Y HN 0.464 nan 8.280 nan 0.000 0.453 3102 Y N 4.125 123.867 120.300 -0.930 0.000 2.425 3102 Y HA 0.305 4.855 4.550 0.000 0.000 0.344 3102 Y C -0.251 175.082 175.900 -0.945 0.000 0.969 3102 Y CA -1.181 56.557 58.100 -0.603 0.000 1.052 3102 Y CB 1.312 39.579 38.460 -0.321 0.000 1.215 3102 Y HN 0.716 nan 8.280 nan 0.000 0.451 3103 D N 2.279 122.529 120.400 -0.250 0.000 2.478 3103 D HA 0.251 4.891 4.640 0.000 0.000 0.269 3103 D C -2.193 174.099 176.300 -0.013 0.000 1.232 3103 D CA -2.227 51.724 54.000 -0.081 0.000 1.059 3103 D CB 0.245 41.182 40.800 0.229 0.000 1.104 3103 D HN 0.164 nan 8.370 nan 0.000 0.566 3104 P HA -0.070 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 1.064 64.180 63.100 0.026 0.000 0.795 3104 P CB 0.097 31.825 31.700 0.046 0.000 0.775 3105 D N -1.993 118.442 120.400 0.059 0.000 2.328 3105 D HA 0.034 4.674 4.640 0.000 0.000 0.221 3105 D C 0.386 176.718 176.300 0.055 0.000 1.072 3105 D CA 0.099 54.131 54.000 0.054 0.000 0.850 3105 D CB -0.664 40.178 40.800 0.070 0.000 0.922 3105 D HN 0.005 nan 8.370 nan 0.000 0.516 3106 N N 1.100 119.832 118.700 0.054 0.000 2.741 3106 N HA -0.229 4.511 4.740 0.000 0.000 0.250 3106 N C -0.323 175.304 175.510 0.194 0.000 1.115 3106 N CA 0.454 53.550 53.050 0.077 0.000 0.724 3106 N CB -0.909 37.571 38.487 -0.011 0.000 1.090 3106 N HN 0.165 nan 8.380 nan 0.000 0.558 3107 Q N 1.046 120.956 119.800 0.184 0.000 2.279 3107 Q HA 0.299 4.639 4.340 0.000 0.000 0.256 3107 Q C -0.124 176.005 176.000 0.214 0.000 0.937 3107 Q CA -0.287 55.619 55.803 0.172 0.000 0.933 3107 Q CB 0.751 29.565 28.738 0.127 0.000 1.189 3107 Q HN 0.300 nan 8.270 nan 0.000 0.417 3108 R N 3.957 124.507 120.500 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 0.070 56.078 56.100 -0.154 0.000 1.034 3108 R CB 0.421 30.536 30.300 -0.309 0.000 0.993 3108 R HN 0.885 nan 8.270 nan 0.000 0.459 3109 H N 0.908 119.918 119.070 -0.100 0.000 4.661 3109 H HA 0.147 4.703 4.556 0.000 0.000 0.141 3109 H C 0.060 175.294 175.328 -0.156 0.000 1.436 3109 H CA -0.458 55.559 56.048 -0.052 0.000 1.052 3109 H CB 0.140 29.947 29.762 0.075 0.000 1.383 3109 H HN 0.434 nan 8.280 nan 0.000 0.422 3110 T N 1.381 115.926 114.554 -0.014 0.000 2.940 3110 T HA 0.087 4.437 4.350 0.000 0.000 0.309 3110 T C 0.086 174.700 174.700 -0.144 0.000 1.056 3110 T CA 0.523 62.532 62.100 -0.152 0.000 1.137 3110 T CB 0.314 69.052 68.868 -0.217 0.000 0.976 3110 T HN 0.419 nan 8.240 nan 0.000 0.547 3111 E N 1.782 121.901 120.200 -0.135 0.000 2.542 3111 E HA 0.440 4.790 4.350 0.000 0.000 0.298 3111 E C -0.868 175.672 176.600 -0.101 0.000 0.980 3111 E CA -0.493 55.829 56.400 -0.129 0.000 0.792 3111 E CB 1.033 30.667 29.700 -0.110 0.000 1.463 3111 E HN 0.584 nan 8.360 nan 0.000 0.389 3112 T N 1.160 115.626 114.554 -0.147 0.000 2.665 3112 T HA 0.468 4.818 4.350 0.000 0.000 0.303 3112 T C -0.992 173.551 174.700 -0.261 0.000 1.334 3112 T CA -0.158 61.847 62.100 -0.157 0.000 1.011 3112 T CB 1.008 69.839 68.868 -0.063 0.000 1.573 3112 T HN 0.458 nan 8.240 nan 0.000 0.492 3113 S N 0.013 115.475 115.700 -0.396 0.000 2.617 3113 S HA 0.486 4.956 4.470 0.000 0.000 0.269 3113 S C 1.638 175.943 174.600 -0.491 0.000 1.292 3113 S CA 0.046 57.939 58.200 -0.511 0.000 1.010 3113 S CB 0.878 63.514 63.200 -0.939 0.000 0.944 3113 S HN 1.079 nan 8.310 nan 0.000 0.536 3114 G N 1.207 109.795 108.800 -0.353 0.000 2.440 3114 G HA2 -0.186 3.774 3.960 0.000 0.000 0.218 3114 G HA3 -0.186 3.774 3.960 0.000 0.000 0.218 3114 G C 1.325 176.207 174.900 -0.029 0.000 1.154 3114 G CA 0.804 45.763 45.100 -0.234 0.000 0.767 3114 G HN 0.960 nan 8.290 nan 0.000 0.552 3115 W N 0.201 121.458 121.300 -0.072 0.000 2.363 3115 W HA -0.047 4.613 4.660 0.000 0.000 0.296 3115 W C 1.801 178.014 176.519 -0.509 0.000 1.212 3115 W CA 0.886 57.994 57.345 -0.396 0.000 1.260 3115 W CB -1.088 28.100 29.460 -0.453 0.000 1.131 3115 W HN 0.425 nan 8.180 nan 0.000 0.530 3116 H N 1.165 119.804 119.070 -0.718 0.000 2.357 3116 H HA -0.172 4.384 4.556 0.000 0.000 0.301 3116 H C 2.358 177.557 175.328 -0.216 0.000 1.082 3116 H CA 1.738 57.514 56.048 -0.453 0.000 1.342 3116 H CB -0.067 29.228 29.762 -0.778 0.000 1.389 3116 H HN 0.117 nan 8.280 nan 0.000 0.511 3117 L N 0.962 121.950 121.223 -0.391 0.000 2.042 3117 L HA -0.194 4.146 4.340 0.000 0.000 0.210 3117 L C 2.553 179.321 176.870 -0.171 0.000 1.076 3117 L CA 2.364 57.013 54.840 -0.318 0.000 0.749 3117 L CB -1.064 40.874 42.059 -0.203 0.000 0.893 3117 L HN 0.358 nan 8.230 nan 0.000 0.432 3118 H N -1.003 117.981 119.070 -0.144 0.000 2.353 3118 H HA -0.187 4.369 4.556 0.000 0.000 0.300 3118 H C 1.915 177.216 175.328 -0.046 0.000 1.090 3118 H CA 2.228 58.185 56.048 -0.151 0.000 1.327 3118 H CB -0.563 29.080 29.762 -0.197 0.000 1.383 3118 H HN 0.469 nan 8.280 nan 0.000 0.508 3119 F N -0.758 119.073 119.950 -0.198 0.000 2.216 3119 F HA -0.158 4.369 4.527 0.000 0.000 0.300 3119 F C 2.525 178.252 175.800 -0.121 0.000 1.085 3119 F CA 0.555 58.485 58.000 -0.116 0.000 1.326 3119 F CB -0.038 38.936 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 1.644 177.678 176.094 -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 1.814 54.589 53.050 -0.459 0.000 0.853 3121 N CB -0.211 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 0.567 115.019 114.554 -0.171 0.000 2.708 3122 T HA -0.091 4.259 4.350 0.000 0.000 0.266 3122 T C 2.062 176.734 174.700 -0.048 0.000 1.037 3122 T CA 1.190 63.267 62.100 -0.037 0.000 1.146 3122 T CB -0.326 68.500 68.868 -0.069 0.000 0.865 3122 T HN 0.332 nan 8.240 nan 0.000 0.435 3123 A N 1.917 124.716 122.820 -0.035 0.000 1.908 3123 A HA -0.146 4.174 4.320 0.000 0.000 0.218 3123 A C 2.265 179.842 177.584 -0.013 0.000 1.181 3123 A CA 1.368 53.349 52.037 -0.093 0.000 0.627 3123 A CB -0.324 18.563 19.000 -0.188 0.000 0.818 3123 A HN 0.303 nan 8.150 nan 0.000 0.445 3124 K N -0.587 119.810 120.400 -0.005 0.000 2.217 3124 K HA -0.139 4.181 4.320 0.000 0.000 0.202 3124 K C 2.122 178.706 176.600 -0.027 0.000 1.051 3124 K CA 1.410 57.684 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 0.771 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 0.676 176.664 176.000 -0.019 0.000 0.957 3125 Q CA 1.300 57.112 55.803 0.014 0.000 0.857 3125 Q CB 0.270 29.069 28.738 0.102 0.000 0.929 3125 Q HN 0.422 nan 8.270 nan 0.000 0.453 3126 G N -0.566 108.217 108.800 -0.029 0.000 2.141 3126 G HA2 -0.150 3.810 3.960 0.000 0.000 0.231 3126 G HA3 -0.150 3.810 3.960 0.000 0.000 0.231 3126 G C -0.057 174.802 174.900 -0.068 0.000 0.984 3126 G CA 0.173 45.247 45.100 -0.043 0.000 0.660 3126 G HN 0.840 nan 8.290 nan 0.000 0.525 3127 A N -1.277 121.500 122.820 -0.072 0.000 2.586 3127 A HA 0.791 5.111 4.320 0.000 0.000 0.291 3127 A C -3.156 174.394 177.584 -0.057 0.000 1.062 3127 A CA -0.747 51.240 52.037 -0.084 0.000 0.666 3127 A CB 0.711 19.672 19.000 -0.066 0.000 1.281 3127 A HN 0.156 nan 8.150 nan 0.000 0.421 3128 P HA 0.130 nan 4.420 nan 0.000 0.258 3128 P C -0.351 177.014 177.300 0.107 0.000 1.172 3128 P CA 0.518 63.634 63.100 0.026 0.000 0.762 3128 P CB -0.147 31.569 31.700 0.027 0.000 0.764 3129 F N 5.765 125.722 119.950 0.010 0.000 2.580 3129 F HA -0.069 4.458 4.527 0.000 0.000 0.398 3129 F C 1.171 176.993 175.800 0.036 0.000 1.023 3129 F CA 0.378 58.393 58.000 0.025 0.000 1.188 3129 F CB -0.426 38.613 39.000 0.066 0.000 1.005 3129 F HN 0.274 nan 8.300 nan 0.000 0.546 3130 L N 3.583 124.448 121.223 -0.596 0.000 3.976 3130 L HA -0.327 4.013 4.340 0.000 0.000 0.418 3130 L C 0.656 177.376 176.870 -0.250 0.000 1.177 3130 L CA 0.549 55.055 54.840 -0.557 0.000 0.968 3130 L CB -2.376 39.201 42.059 -0.803 0.000 1.933 3130 L HN 0.727 nan 8.230 nan 0.000 0.976 3131 S N -1.842 113.776 115.700 -0.137 0.000 2.645 3131 S HA 0.515 4.985 4.470 0.000 0.000 0.266 3131 S C 0.324 174.876 174.600 -0.080 0.000 1.258 3131 S CA -0.049 58.109 58.200 -0.070 0.000 0.990 3131 S CB 2.184 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 1.445 117.114 115.700 -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 -0.831 57.343 58.200 -0.045 0.000 1.106 3132 S CB 0.003 63.189 63.200 -0.024 0.000 0.984 3132 S HN 0.775 nan 8.310 nan 0.000 0.464 3133 M N 5.886 125.458 119.600 -0.047 0.000 2.238 3133 M HA 0.369 4.849 4.480 0.000 0.000 0.347 3133 M C -1.061 175.219 176.300 -0.032 0.000 1.173 3133 M CA -0.256 55.017 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 4.723 124.623 119.914 -0.023 0.000 2.498 3134 V HA 0.467 4.587 4.120 0.000 0.000 0.279 3134 V C 0.442 176.526 176.094 -0.017 0.000 1.048 3134 V CA -0.218 62.076 62.300 -0.011 0.000 0.967 3134 V CB 0.993 32.814 31.823 -0.004 0.000 0.988 3134 V HN 1.022 nan 8.190 nan 0.000 0.473 3135 T N -0.085 114.463 114.554 -0.011 0.000 2.838 3135 T HA 0.353 4.703 4.350 0.000 0.000 0.292 3135 T C 0.272 174.974 174.700 0.003 0.000 1.113 3135 T CA -0.261 61.829 62.100 -0.016 0.000 1.008 3135 T CB 1.909 70.752 68.868 -0.041 0.000 1.259 3135 T HN 0.619 nan 8.240 nan 0.000 0.520 3136 D N -0.130 120.271 120.400 0.001 0.000 2.328 3136 D HA 0.083 4.723 4.640 0.000 0.000 0.226 3136 D C 0.652 176.968 176.300 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 1.819 117.544 115.700 0.041 0.000 2.525 3137 S HA 0.092 4.562 4.470 0.000 0.000 0.285 3137 S C -1.044 173.610 174.600 0.089 0.000 1.283 3137 S CA -0.924 57.325 58.200 0.082 0.000 1.072 3137 S CB 1.000 64.290 63.200 0.151 0.000 0.867 3137 S HN 0.098 nan 8.310 nan 0.000 0.492 3138 P HA 0.081 nan 4.420 nan 0.000 0.227 3138 P C 0.122 177.440 177.300 0.030 0.000 1.161 3138 P CA 0.269 63.393 63.100 0.040 0.000 0.788 3138 P CB -0.018 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 0.276 61.548 61.300 -0.046 0.000 1.426 3139 I CB 0.232 38.202 38.000 -0.050 0.000 1.381 3139 I HN -0.272 nan 8.210 nan 0.000 0.571 3140 K N 6.669 126.963 120.400 -0.177 0.000 3.000 3140 K HA 0.097 4.417 4.320 0.000 0.000 0.265 3140 K C -0.730 175.778 176.600 -0.154 0.000 1.260 3140 K CA -0.017 56.196 56.287 -0.124 0.000 1.209 3140 K CB -0.526 31.921 32.500 -0.090 0.000 1.484 3140 K HN 0.388 nan 8.250 nan 0.000 0.283 3141 Y N 0.442 120.730 120.300 -0.019 0.000 2.281 3141 Y HA 0.317 4.867 4.550 0.000 0.000 0.337 3141 Y C 1.546 177.433 175.900 -0.023 0.000 1.304 3141 Y CA 0.587 58.672 58.100 -0.024 0.000 1.465 3141 Y CB 0.931 39.375 38.460 -0.027 0.000 1.350 3141 Y HN 0.470 nan 8.280 nan 0.000 0.575 3142 G N 0.156 109.050 108.800 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 -1.766 173.157 174.900 0.039 0.000 1.335 3142 G CA -0.863 44.281 45.100 0.074 0.000 0.982 3142 G HN 0.540 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 0.195 54.202 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 3.144 123.063 119.914 0.008 0.000 2.672 3144 V HA -0.022 4.098 4.120 0.000 0.000 0.242 3144 V C 1.876 177.972 176.094 0.003 0.000 1.059 3144 V CA 0.716 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 0.557 nan 8.190 nan 0.000 0.472 3145 M N -0.418 119.183 119.600 0.001 0.000 2.371 3145 M HA 0.286 4.766 4.480 0.000 0.000 0.246 3145 M C 0.382 176.695 176.300 0.022 0.000 1.103 3145 M CA 0.107 55.411 55.300 0.007 0.000 1.010 3145 M CB -0.646 31.950 32.600 -0.007 0.000 1.457 3145 M HN 0.379 nan 8.290 nan 0.000 0.486 3146 N N 1.199 119.911 118.700 0.021 0.000 2.705 3146 N HA -0.142 4.598 4.740 0.000 0.000 0.255 3146 N C 1.008 176.556 175.510 0.064 0.000 1.008 3146 N CA 0.252 53.324 53.050 0.037 0.000 0.742 3146 N CB -1.128 37.387 38.487 0.045 0.000 0.906 3146 N HN 0.149 nan 8.380 nan 0.000 0.541 3147 V N -0.219 119.716 119.914 0.035 0.000 2.255 3147 V HA -0.106 4.014 4.120 0.000 0.000 0.247 3147 V C 1.405 177.601 176.094 0.169 0.000 1.051 3147 V CA 1.569 63.903 62.300 0.056 0.000 1.018 3147 V CB 0.024 31.763 31.823 -0.140 0.000 0.641 3147 V HN 0.404 nan 8.190 nan 0.000 0.445 3148 I N 0.409 121.028 120.570 0.081 0.000 2.447 3148 I HA 0.504 4.674 4.170 0.000 0.000 0.287 3148 I C -1.138 175.013 176.117 0.056 0.000 1.023 3148 I CA -0.317 61.040 61.300 0.094 0.000 1.083 3148 I CB 1.792 39.827 38.000 0.060 0.000 1.245 3148 I HN 0.258 nan 8.210 nan 0.000 0.434 3149 D N 5.465 125.902 120.400 0.062 0.000 2.717 3149 D HA 0.786 5.426 4.640 0.000 0.000 0.223 3149 D C -1.669 174.672 176.300 0.068 0.000 1.240 3149 D CA -0.310 53.723 54.000 0.056 0.000 0.801 3149 D CB 2.256 43.091 40.800 0.059 0.000 1.556 3149 D HN 0.697 nan 8.370 nan 0.000 0.462 3150 A N 2.438 125.301 122.820 0.072 0.000 2.532 3150 A HA 0.642 4.962 4.320 0.000 0.000 0.296 3150 A C -2.819 174.842 177.584 0.128 0.000 1.058 3150 A CA -1.154 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 0.277 nan 4.420 nan 0.000 0.268 3151 P C 0.989 178.412 177.300 0.204 0.000 1.204 3151 P CA 0.508 63.700 63.100 0.153 0.000 0.768 3151 P CB 1.228 33.001 31.700 0.121 0.000 0.842 3152 A N 3.483 126.381 122.820 0.131 0.000 1.978 3152 A HA -0.031 4.289 4.320 0.000 0.000 0.220 3152 A C 1.117 178.814 177.584 0.189 0.000 1.170 3152 A CA 1.892 54.002 52.037 0.120 0.000 0.636 3152 A CB -0.927 18.115 19.000 0.071 0.000 0.810 3152 A HN 0.741 nan 8.150 nan 0.000 0.448 3153 T N -3.743 110.916 114.554 0.175 0.000 2.883 3153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 3153 T C -0.865 173.857 174.700 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 70.411 68.868 0.066 0.000 1.186 3153 T HN 0.174 nan 8.240 nan 0.000 0.499 3154 I N 1.772 122.286 120.570 -0.093 0.000 2.439 3154 I HA 0.567 4.737 4.170 0.000 0.000 0.283 3154 I C 0.640 176.674 176.117 -0.138 0.000 1.023 3154 I CA -1.125 60.062 61.300 -0.188 0.000 1.100 3154 I CB 1.408 39.159 38.000 -0.415 0.000 1.238 3154 I HN 1.024 nan 8.210 nan 0.000 0.445 3155 A N 4.693 127.462 122.820 -0.085 0.000 2.346 3155 A HA 0.699 5.019 4.320 0.000 0.000 0.252 3155 A C 0.656 178.200 177.584 -0.067 0.000 1.089 3155 A CA -0.247 51.753 52.037 -0.061 0.000 0.797 3155 A CB 0.437 19.415 19.000 -0.036 0.000 1.047 3155 A HN 0.838 nan 8.150 nan 0.000 0.494 3156 A N -0.063 122.733 122.820 -0.040 0.000 2.567 3156 A HA 0.457 4.777 4.320 0.000 0.000 0.240 3156 A C 1.620 179.186 177.584 -0.030 0.000 1.053 3156 A CA 0.923 52.950 52.037 -0.016 0.000 0.755 3156 A CB -1.017 18.003 19.000 0.034 0.000 0.978 3156 A HN 2.755 nan 8.150 nan 0.000 0.507 3157 G N 0.703 109.477 108.800 -0.044 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 0.612 45.684 45.100 -0.046 0.000 0.641 3157 G HN 2.196 nan 8.290 nan 0.000 0.530 3158 A N -0.580 122.198 122.820 -0.069 0.000 2.281 3158 A HA 0.881 5.201 4.320 0.000 0.000 0.329 3158 A C 0.174 177.703 177.584 -0.092 0.000 1.122 3158 A CA 0.535 52.530 52.037 -0.070 0.000 0.850 3158 A CB 1.231 20.192 19.000 -0.066 0.000 1.207 3158 A HN 0.702 nan 8.150 nan 0.000 0.495 3159 T N 0.572 115.083 114.554 -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 62.078 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 1.053 nan 8.240 nan 0.000 0.438 3160 G N 1.863 110.623 108.800 -0.066 0.000 2.432 3160 G HA2 0.660 4.620 3.960 0.000 0.000 0.331 3160 G HA3 0.660 4.620 3.960 0.000 0.000 0.331 3160 G C -0.970 173.946 174.900 0.027 0.000 1.170 3160 G CA -0.607 44.480 45.100 -0.021 0.000 0.943 3160 G HN 0.490 nan 8.290 nan 0.000 0.483 3161 E N 0.669 120.901 120.200 0.052 0.000 2.183 3161 E HA 0.488 4.838 4.350 0.000 0.000 0.271 3161 E C -0.443 176.216 176.600 0.097 0.000 0.919 3161 E CA -0.422 56.019 56.400 0.068 0.000 0.781 3161 E CB 2.452 32.180 29.700 0.047 0.000 1.140 3161 E HN 0.306 nan 8.360 nan 0.000 0.402 3162 L N 0.870 122.161 121.223 0.114 0.000 2.354 3162 L HA 0.653 4.993 4.340 0.000 0.000 0.264 3162 L C -0.120 176.808 176.870 0.097 0.000 1.008 3162 L CA -0.887 54.027 54.840 0.123 0.000 0.819 3162 L CB 2.143 44.305 42.059 0.171 0.000 1.339 3162 L HN 0.333 nan 8.230 nan 0.000 0.420 3163 T N 2.156 116.762 114.554 0.087 0.000 2.916 3163 T HA 0.702 5.052 4.350 0.000 0.000 0.298 3163 T C -0.856 173.885 174.700 0.069 0.000 1.031 3163 T CA -0.437 61.707 62.100 0.074 0.000 0.993 3163 T CB 2.279 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 2.935 122.545 119.600 0.016 0.000 2.484 3164 M HA 0.671 5.151 4.480 0.000 0.000 0.289 3164 M C -2.433 173.809 176.300 -0.097 0.000 1.206 3164 M CA -0.711 54.575 55.300 -0.023 0.000 0.892 3164 M CB 1.762 34.324 32.600 -0.064 0.000 1.712 3164 M HN 0.631 nan 8.290 nan 0.000 0.462 3165 Y N 2.580 122.840 120.300 -0.068 0.000 2.462 3165 Y HA 0.704 5.254 4.550 0.000 0.000 0.346 3165 Y C -1.564 174.371 175.900 0.058 0.000 0.976 3165 Y CA -0.327 57.843 58.100 0.116 0.000 1.044 3165 Y CB 2.085 40.667 38.460 0.204 0.000 1.230 3165 Y HN 0.621 nan 8.280 nan 0.000 0.455 3166 Y N 1.426 122.010 120.300 0.473 0.000 2.477 3166 Y HA 0.270 4.820 4.550 0.000 0.000 0.347 3166 Y C -0.944 175.174 175.900 0.363 0.000 0.981 3166 Y CA -1.522 56.759 58.100 0.302 0.000 1.033 3166 Y CB 1.940 40.458 38.460 0.098 0.000 1.245 3166 Y HN 0.646 nan 8.280 nan 0.000 0.455 3167 W N 5.214 126.602 121.300 0.147 0.000 2.329 3167 W HA 0.657 5.317 4.660 0.000 0.000 0.312 3167 W C -1.859 174.684 176.519 0.040 0.000 1.054 3167 W CA -1.017 56.403 57.345 0.126 0.000 1.245 3167 W CB 1.408 30.899 29.460 0.052 0.000 1.255 3167 W HN 0.306 nan 8.180 nan 0.000 0.436 3168 V N 9.457 129.092 119.914 -0.464 0.000 2.334 3168 V HA 0.184 4.304 4.120 0.000 0.000 0.267 3168 V C -1.590 174.003 176.094 -0.835 0.000 1.040 3168 V CA -1.552 60.474 62.300 -0.457 0.000 0.866 3168 V CB 0.883 32.568 31.823 -0.229 0.000 1.019 3168 V HN 0.367 nan 8.190 nan 0.000 0.468 3169 P HA 0.391 nan 4.420 nan 0.000 0.282 3169 P C 0.047 177.218 177.300 -0.215 0.000 1.249 3169 P CA -0.296 62.597 63.100 -0.345 0.000 0.806 3169 P CB 2.503 34.324 31.700 0.202 0.000 0.984 3170 L N 1.267 122.416 121.223 -0.124 0.000 2.675 3170 L HA 0.327 4.667 4.340 0.000 0.000 0.178 3170 L C 1.364 178.362 176.870 0.213 0.000 1.135 3170 L CA 0.096 54.891 54.840 -0.076 0.000 0.855 3170 L CB -0.784 41.105 42.059 -0.284 0.000 1.235 3170 L HN 0.324 nan 8.230 nan 0.000 0.499 3171 A N -0.919 121.998 122.820 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 0.280 0.000 1.082 3171 A CA 0.016 52.174 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 2.222 122.525 120.300 0.005 0.000 2.181 3172 Y HA -0.011 4.539 4.550 0.000 0.000 0.288 3172 Y C 1.262 177.133 175.900 -0.049 0.000 1.146 3172 Y CA 1.716 59.655 58.100 -0.268 0.000 1.164 3172 Y CB 0.011 38.331 38.460 -0.233 0.000 0.982 3172 Y HN 0.884 nan 8.280 nan 0.000 0.515 3173 S N -2.434 113.245 115.700 -0.036 0.000 2.757 3173 S HA 0.263 4.733 4.470 0.000 0.000 0.285 3173 S C 0.365 174.949 174.600 -0.026 0.000 1.196 3173 S CA -0.626 57.507 58.200 -0.111 0.000 0.856 3173 S CB 1.064 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 1.073 121.228 120.200 -0.076 0.000 2.268 3174 E HA -0.018 4.332 4.350 0.000 0.000 0.195 3174 E C 1.714 178.290 176.600 -0.041 0.000 0.995 3174 E CA 1.902 58.260 56.400 -0.071 0.000 0.836 3174 E CB -0.364 29.264 29.700 -0.119 0.000 0.763 3174 E HN 0.847 nan 8.360 nan 0.000 0.491 3175 T N -2.444 112.098 114.554 -0.021 0.000 2.971 3175 T HA 0.051 4.401 4.350 0.000 0.000 0.252 3175 T C 0.474 175.186 174.700 0.020 0.000 1.022 3175 T CA -0.293 61.804 62.100 -0.006 0.000 0.980 3175 T CB 0.425 69.288 68.868 -0.007 0.000 1.044 3175 T HN -0.201 nan 8.240 nan 0.000 0.501 3176 D N 1.220 121.654 120.400 0.057 0.000 2.441 3176 D HA 0.308 4.948 4.640 0.000 0.000 0.231 3176 D C 0.615 176.957 176.300 0.070 0.000 1.073 3176 D CA -0.718 53.329 54.000 0.078 0.000 0.850 3176 D CB 0.947 41.858 40.800 0.185 0.000 1.062 3176 D HN 0.211 nan 8.370 nan 0.000 0.524 3177 L N 2.591 123.827 121.223 0.021 0.000 2.645 3177 L HA 0.084 4.424 4.340 0.000 0.000 0.235 3177 L C 0.754 177.622 176.870 -0.004 0.000 1.150 3177 L CA 0.168 55.019 54.840 0.019 0.000 0.911 3177 L CB -0.373 41.688 42.059 0.004 0.000 1.077 3177 L HN 0.262 nan 8.230 nan 0.000 0.438 3178 T N 0.754 115.271 114.554 -0.061 0.000 2.871 3178 T HA 0.247 4.597 4.350 0.000 0.000 0.296 3178 T C 1.246 175.922 174.700 -0.041 0.000 0.998 3178 T CA 1.009 62.992 62.100 -0.195 0.000 1.162 3178 T CB 0.912 69.440 68.868 -0.566 0.000 0.947 3178 T HN 0.623 nan 8.240 nan 0.000 0.536 3179 G N 2.071 110.874 108.800 0.006 0.000 2.194 3179 G HA2 -0.093 3.867 3.960 0.000 0.000 0.236 3179 G HA3 -0.093 3.867 3.960 0.000 0.000 0.236 3179 G C 0.372 175.378 174.900 0.177 0.000 0.987 3179 G CA -0.039 45.167 45.100 0.177 0.000 0.635 3179 G HN 1.150 nan 8.290 nan 0.000 0.520 3180 A N -0.498 122.381 122.820 0.099 0.000 2.429 3180 A HA 0.646 4.966 4.320 0.000 0.000 0.242 3180 A C 0.409 178.036 177.584 0.073 0.000 1.088 3180 A CA 0.808 52.880 52.037 0.060 0.000 0.784 3180 A CB 0.834 19.856 19.000 0.037 0.000 1.038 3180 A HN 1.213 nan 8.150 nan 0.000 0.501 3181 V N 1.611 121.547 119.914 0.036 0.000 2.487 3181 V HA 0.322 4.442 4.120 0.000 0.000 0.298 3181 V C -0.565 175.562 176.094 0.056 0.000 1.028 3181 V CA -0.506 61.838 62.300 0.072 0.000 0.860 3181 V CB 1.400 33.268 31.823 0.075 0.000 0.991 3181 V HN 0.774 nan 8.190 nan 0.000 0.427 3182 L N 5.318 126.581 121.223 0.067 0.000 2.283 3182 L HA 0.715 5.055 4.340 0.000 0.000 0.287 3182 L C 0.485 177.390 176.870 0.059 0.000 1.073 3182 L CA 0.156 55.027 54.840 0.051 0.000 0.822 3182 L CB 0.767 42.861 42.059 0.059 0.000 1.186 3182 L HN 0.746 nan 8.230 nan 0.000 0.436 3183 A N 4.311 127.154 122.820 0.039 0.000 2.938 3183 A HA 0.495 4.815 4.320 0.000 0.000 0.344 3183 A C -0.066 177.530 177.584 0.021 0.000 1.142 3183 A CA -0.445 51.615 52.037 0.038 0.000 0.841 3183 A CB -0.621 18.403 19.000 0.039 0.000 1.083 3183 A HN 0.810 nan 8.150 nan 0.000 0.479 3184 N N -0.078 118.650 118.700 0.047 0.000 2.299 3184 N HA 0.183 4.923 4.740 0.000 0.000 0.246 3184 N C -0.991 174.555 175.510 0.061 0.000 1.254 3184 N CA -0.169 52.916 53.050 0.060 0.000 0.879 3184 N CB 0.583 39.140 38.487 0.116 0.000 1.214 3184 N HN 0.063 nan 8.380 nan 0.000 0.510 3185 V N 1.768 121.710 119.914 0.046 0.000 2.277 3185 V HA 0.424 4.544 4.120 0.000 0.000 0.269 3185 V C -2.163 173.946 176.094 0.025 0.000 1.036 3185 V CA -1.611 60.712 62.300 0.037 0.000 0.821 3185 V CB 0.813 32.658 31.823 0.037 0.000 1.052 3185 V HN 0.082 nan 8.190 nan 0.000 0.462 3186 P HA 0.327 nan 4.420 nan 0.000 0.266 3186 P C 0.629 177.934 177.300 0.009 0.000 1.195 3186 P CA 1.296 64.404 63.100 0.014 0.000 0.768 3186 P CB 0.517 32.226 31.700 0.014 0.000 0.838 3187 Q N -0.409 119.393 119.800 0.003 0.000 2.360 3187 Q HA -0.208 4.132 4.340 0.000 0.000 0.192 3187 Q C 0.451 176.447 176.000 -0.006 0.000 0.615 3187 Q CA 1.420 57.221 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 0.364 116.063 115.700 -0.002 0.000 2.653 3188 S HA 0.546 5.016 4.470 0.000 0.000 0.272 3188 S C -0.213 174.383 174.600 -0.007 0.000 1.221 3188 S CA 0.145 58.341 58.200 -0.005 0.000 1.149 3188 S CB 0.396 63.599 63.200 0.006 0.000 1.029 3188 S HN 0.830 nan 8.310 nan 0.000 0.481 3189 K N 3.353 123.739 120.400 -0.023 0.000 2.087 3189 K HA 0.516 4.836 4.320 0.000 0.000 0.255 3189 K C -0.218 176.352 176.600 -0.049 0.000 0.988 3189 K CA -0.856 55.415 56.287 -0.026 0.000 0.915 3189 K CB 0.918 33.398 32.500 -0.033 0.000 1.043 3189 K HN 0.465 nan 8.250 nan 0.000 0.457 3190 Q N 0.678 120.453 119.800 -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 1.332 30.078 28.738 0.013 0.000 1.176 3190 Q HN 0.446 nan 8.270 nan 0.000 0.510 3191 R N 0.640 120.978 120.500 -0.270 0.000 2.533 3191 R HA 0.418 4.758 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 -0.729 55.255 56.100 -0.193 0.000 0.909 3191 R CB 1.342 31.549 30.300 -0.154 0.000 1.195 3191 R HN 0.351 nan 8.270 nan 0.000 0.438 3192 L N 3.363 124.471 121.223 -0.192 0.000 2.324 3192 L HA 0.410 4.750 4.340 0.000 0.000 0.274 3192 L C -0.961 175.799 176.870 -0.184 0.000 1.012 3192 L CA -0.284 54.427 54.840 -0.215 0.000 0.859 3192 L CB 0.971 42.767 42.059 -0.438 0.000 1.224 3192 L HN 0.419 nan 8.230 nan 0.000 0.429 3193 K N 6.146 126.467 120.400 -0.133 0.000 2.227 3193 K HA 0.551 4.871 4.320 0.000 0.000 0.280 3193 K C -1.173 175.296 176.600 -0.218 0.000 1.041 3193 K CA -0.399 55.810 56.287 -0.131 0.000 0.905 3193 K CB 1.295 33.760 32.500 -0.059 0.000 1.068 3193 K HN 0.546 nan 8.250 nan 0.000 0.470 3194 L N 3.358 124.426 121.223 -0.258 0.000 2.325 3194 L HA 0.324 4.664 4.340 0.000 0.000 0.281 3194 L C -0.268 176.362 176.870 -0.400 0.000 1.004 3194 L CA -0.552 54.008 54.840 -0.467 0.000 0.823 3194 L CB 1.527 43.175 42.059 -0.686 0.000 1.236 3194 L HN 0.527 nan 8.230 nan 0.000 0.415 3195 E N 3.806 123.751 120.200 -0.424 0.000 2.114 3195 E HA 0.392 4.742 4.350 0.000 0.000 0.266 3195 E C -1.094 175.337 176.600 -0.282 0.000 0.896 3195 E CA -0.452 55.814 56.400 -0.225 0.000 0.750 3195 E CB 1.449 31.065 29.700 -0.141 0.000 1.121 3195 E HN 0.261 nan 8.360 nan 0.000 0.413 3196 F N 1.289 121.261 119.950 0.037 0.000 2.370 3196 F HA 0.412 4.939 4.527 0.000 0.000 0.319 3196 F C 1.099 176.924 175.800 0.040 0.000 1.129 3196 F CA -0.740 57.297 58.000 0.061 0.000 1.109 3196 F CB 0.682 39.797 39.000 0.193 0.000 1.262 3196 F HN 0.400 nan 8.300 nan 0.000 0.534 3197 A N 1.620 124.585 122.820 0.240 0.000 2.406 3197 A HA 0.446 4.766 4.320 0.000 0.000 0.243 3197 A C -0.309 177.326 177.584 0.085 0.000 1.082 3197 A CA -0.275 51.864 52.037 0.170 0.000 0.786 3197 A CB -0.062 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 -0.659 118.162 118.700 0.201 0.000 3.157 3198 N HA 0.237 4.977 4.740 0.000 0.000 0.291 3198 N C -0.073 175.692 175.510 0.424 0.000 1.515 3198 N CA -0.827 52.374 53.050 0.252 0.000 0.807 3198 N CB 0.108 38.708 38.487 0.189 0.000 1.672 3198 N HN 0.288 nan 8.380 nan 0.000 0.592 3199 N N -0.186 118.787 118.700 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 0.844 54.175 53.050 0.468 0.000 0.870 3199 N CB -0.494 38.250 38.487 0.429 0.000 0.975 3199 N HN 0.482 nan 8.380 nan 0.000 0.433 3200 N N -0.150 118.677 118.700 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 1.609 54.751 53.050 0.154 0.000 0.858 3200 N CB -0.565 37.997 38.487 0.125 0.000 0.991 3200 N HN 0.460 nan 8.380 nan 0.000 0.427 3201 T N -1.979 112.628 114.554 0.089 0.000 3.009 3201 T HA 0.255 4.605 4.350 0.000 0.000 0.258 3201 T C 1.907 176.588 174.700 -0.032 0.000 1.063 3201 T CA 0.733 62.866 62.100 0.055 0.000 1.139 3201 T CB -0.093 68.828 68.868 0.088 0.000 0.890 3201 T HN 0.101 nan 8.240 nan 0.000 0.471 3202 A N 0.631 123.339 122.820 -0.187 0.000 2.067 3202 A HA 0.414 4.734 4.320 0.000 0.000 0.217 3202 A C 0.423 177.564 177.584 -0.739 0.000 1.156 3202 A CA 0.054 51.765 52.037 -0.544 0.000 0.683 3202 A CB -0.481 17.984 19.000 -0.891 0.000 0.808 3202 A HN 0.589 nan 8.150 nan 0.000 0.455 3203 F N -0.497 119.505 119.950 0.086 0.000 2.477 3203 F HA 0.640 5.167 4.527 0.000 0.000 0.335 3203 F C 0.281 176.111 175.800 0.051 0.000 1.130 3203 F CA -0.758 57.279 58.000 0.060 0.000 0.948 3203 F CB 1.741 40.756 39.000 0.026 0.000 1.154 3203 F HN 0.073 nan 8.300 nan 0.000 0.439 3204 A N 2.336 125.269 122.820 0.188 0.000 2.318 3204 A HA 0.853 5.173 4.320 0.000 0.000 0.324 3204 A C -0.198 177.442 177.584 0.094 0.000 1.170 3204 A CA -0.606 51.496 52.037 0.109 0.000 0.810 3204 A CB 0.713 19.745 19.000 0.054 0.000 1.198 3204 A HN 0.907 nan 8.150 nan 0.000 0.484 3205 A N 1.651 124.514 122.820 0.072 0.000 2.346 3205 A HA 0.530 4.850 4.320 0.000 0.000 0.252 3205 A C 0.423 178.023 177.584 0.027 0.000 1.089 3205 A CA -0.288 51.775 52.037 0.044 0.000 0.797 3205 A CB -0.024 19.000 19.000 0.040 0.000 1.047 3205 A HN 1.195 nan 8.150 nan 0.000 0.494 3206 V N 1.038 120.958 119.914 0.010 0.000 2.694 3206 V HA 0.374 4.494 4.120 0.000 0.000 0.306 3206 V C 1.693 177.792 176.094 0.007 0.000 1.054 3206 V CA 1.834 64.137 62.300 0.004 0.000 1.161 3206 V CB 0.053 31.872 31.823 -0.007 0.000 0.916 3206 V HN 1.959 nan 8.190 nan 0.000 0.490 3207 G N 3.297 112.100 108.800 0.006 0.000 2.225 3207 G HA2 -0.149 3.811 3.960 0.000 0.000 0.254 3207 G HA3 -0.149 3.811 3.960 0.000 0.000 0.254 3207 G C 0.434 175.339 174.900 0.008 0.000 0.988 3207 G CA 0.308 45.410 45.100 0.003 0.000 0.625 3207 G HN 1.506 nan 8.290 nan 0.000 0.527 3208 A N -0.155 122.675 122.820 0.017 0.000 2.271 3208 A HA 0.645 4.965 4.320 0.000 0.000 0.288 3208 A C 0.516 178.116 177.584 0.027 0.000 1.094 3208 A CA 0.152 52.203 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 1.179 119.899 118.700 0.033 0.000 2.452 3209 N HA 0.140 4.880 4.740 0.000 0.000 0.266 3209 N C -1.697 173.834 175.510 0.036 0.000 1.175 3209 N CA -1.440 51.644 53.050 0.057 0.000 0.945 3209 N CB 0.988 39.510 38.487 0.058 0.000 1.063 3209 N HN 0.351 nan 8.380 nan 0.000 0.472 3210 P HA -0.024 nan 4.420 nan 0.000 0.255 3210 P C 1.533 178.655 177.300 -0.296 0.000 1.248 3210 P CA -0.115 62.910 63.100 -0.124 0.000 0.807 3210 P CB 0.462 32.064 31.700 -0.164 0.000 1.150 3211 L N 1.427 122.497 121.223 -0.255 0.000 2.010 3211 L HA -0.193 4.147 4.340 0.000 0.000 0.219 3211 L C 1.762 178.443 176.870 -0.314 0.000 1.077 3211 L CA 2.206 56.788 54.840 -0.431 0.000 0.773 3211 L CB -0.885 41.142 42.059 -0.053 0.000 0.892 3211 L HN -0.118 nan 8.230 nan 0.000 0.436 3212 E N -0.202 119.960 120.200 -0.063 0.000 2.474 3212 E HA 0.313 4.663 4.350 0.000 0.000 0.195 3212 E C 0.642 177.269 176.600 0.044 0.000 1.039 3212 E CA 0.585 57.033 56.400 0.081 0.000 0.881 3212 E CB -0.006 29.774 29.700 0.133 0.000 0.970 3212 E HN 0.566 nan 8.360 nan 0.000 0.486 3213 A N 0.684 123.478 122.820 -0.042 0.000 2.271 3213 A HA 0.482 4.802 4.320 0.000 0.000 0.288 3213 A C 1.114 178.654 177.584 -0.074 0.000 1.094 3213 A CA -0.395 51.609 52.037 -0.055 0.000 0.828 3213 A CB 0.484 19.456 19.000 -0.046 0.000 1.091 3213 A HN 0.052 nan 8.150 nan 0.000 0.493 3214 I N -1.346 119.166 120.570 -0.096 0.000 3.039 3214 I HA 0.117 4.287 4.170 0.000 0.000 0.270 3214 I C -0.382 175.537 176.117 -0.330 0.000 1.150 3214 I CA 0.668 61.873 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 0.592 nan 8.210 nan 0.000 0.450 3215 Y N 0.359 120.680 120.300 0.035 0.000 2.512 3215 Y HA 0.553 5.103 4.550 0.000 0.000 0.348 3215 Y C -0.277 175.684 175.900 0.103 0.000 0.990 3215 Y CA -0.736 57.426 58.100 0.103 0.000 1.033 3215 Y CB 1.790 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 1.561 121.484 119.800 0.205 0.000 2.359 3216 Q HA 0.769 5.109 4.340 0.000 0.000 0.274 3216 Q C -1.019 175.035 176.000 0.091 0.000 1.074 3216 Q CA -0.656 55.218 55.803 0.119 0.000 0.810 3216 Q CB 2.589 31.352 28.738 0.042 0.000 1.342 3216 Q HN 0.964 nan 8.270 nan 0.000 0.427 3217 G N 0.446 109.275 108.800 0.048 0.000 2.321 3217 G HA2 0.376 4.336 3.960 0.000 0.000 0.298 3217 G HA3 0.376 4.336 3.960 0.000 0.000 0.298 3217 G C -0.366 174.499 174.900 -0.059 0.000 1.385 3217 G CA -0.140 44.957 45.100 -0.004 0.000 0.856 3217 G HN 0.683 nan 8.290 nan 0.000 0.584 3218 A N -0.844 121.910 122.820 -0.111 0.000 2.178 3218 A HA 0.351 4.671 4.320 0.000 0.000 0.218 3218 A C 2.158 179.503 177.584 -0.399 0.000 1.157 3218 A CA 2.533 54.456 52.037 -0.189 0.000 0.689 3218 A CB -0.363 18.531 19.000 -0.176 0.000 0.787 3218 A HN 1.923 nan 8.150 nan 0.000 0.465 3219 G N -1.732 106.844 108.800 -0.373 0.000 3.126 3219 G HA2 0.335 4.295 3.960 0.000 0.000 0.224 3219 G HA3 0.335 4.295 3.960 0.000 0.000 0.224 3219 G C 1.318 176.117 174.900 -0.169 0.000 1.142 3219 G CA 0.844 45.670 45.100 -0.457 0.000 0.759 3219 G HN 0.585 nan 8.290 nan 0.000 0.550 3220 A N 1.599 124.357 122.820 -0.104 0.000 1.903 3220 A HA 0.039 4.359 4.320 0.000 0.000 0.219 3220 A C 2.779 180.347 177.584 -0.026 0.000 1.191 3220 A CA 2.417 54.434 52.037 -0.032 0.000 0.638 3220 A CB -0.831 18.212 19.000 0.073 0.000 0.823 3220 A HN 0.859 nan 8.150 nan 0.000 0.451 3221 A N -0.817 122.020 122.820 0.029 0.000 2.032 3221 A HA -0.176 4.144 4.320 0.000 0.000 0.221 3221 A C 1.417 179.009 177.584 0.012 0.000 1.165 3221 A CA 1.822 53.890 52.037 0.050 0.000 0.645 3221 A CB -0.376 18.671 19.000 0.077 0.000 0.807 3221 A HN 0.504 nan 8.150 nan 0.000 0.453 3222 D N -1.206 119.192 120.400 -0.003 0.000 2.388 3222 D HA 0.183 4.823 4.640 0.000 0.000 0.221 3222 D C -0.422 175.763 176.300 -0.192 0.000 1.133 3222 D CA -0.018 53.949 54.000 -0.055 0.000 0.831 3222 D CB -0.097 40.702 40.800 -0.003 0.000 0.962 3222 D HN 0.284 nan 8.370 nan 0.000 0.502 3223 C N 1.156 120.221 119.300 -0.391 0.000 2.401 3223 C HA 0.460 4.920 4.460 0.000 0.000 0.365 3223 C C 0.598 175.159 174.990 -0.716 0.000 1.250 3223 C CA -0.473 58.065 59.018 -0.799 0.000 2.131 3223 C CB 0.794 27.559 27.740 -1.625 0.000 2.445 3223 C HN 0.205 nan 8.230 nan 0.000 0.550 3224 E N 0.666 120.567 120.200 -0.497 0.000 2.343 3224 E HA 0.361 4.711 4.350 0.000 0.000 0.278 3224 E C -1.376 175.243 176.600 0.032 0.000 0.910 3224 E CA -0.484 55.870 56.400 -0.077 0.000 0.757 3224 E CB 1.564 31.266 29.700 0.003 0.000 1.218 3224 E HN 0.486 nan 8.360 nan 0.000 0.435 3225 F N 1.765 121.865 119.950 0.250 0.000 2.459 3225 F HA 0.054 4.581 4.527 0.000 0.000 0.346 3225 F C 1.811 177.648 175.800 0.063 0.000 1.128 3225 F CA 0.356 58.459 58.000 0.172 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 1.229 121.563 120.200 0.224 0.000 2.201 3226 E HA 0.042 4.392 4.350 0.000 0.000 0.193 3226 E C -0.209 176.426 176.600 0.058 0.000 0.957 3226 E CA 0.579 57.040 56.400 0.102 0.000 0.858 3226 E CB 0.354 30.084 29.700 0.050 0.000 0.816 3226 E HN 0.803 nan 8.360 nan 0.000 0.475 3227 E N -0.504 119.721 120.200 0.043 0.000 2.403 3227 E HA 0.507 4.857 4.350 0.000 0.000 0.280 3227 E C -1.135 175.305 176.600 -0.267 0.000 1.101 3227 E CA -0.524 55.786 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 0.929 121.088 120.570 -0.684 0.000 2.686 3228 I HA 0.548 4.718 4.170 0.000 0.000 0.295 3228 I C -0.979 174.604 176.117 -0.890 0.000 1.114 3228 I CA -0.939 59.884 61.300 -0.795 0.000 1.038 3228 I CB 2.288 39.581 38.000 -1.177 0.000 1.238 3228 I HN 0.562 nan 8.210 nan 0.000 0.420 3229 S N 4.058 119.467 115.700 -0.485 0.000 2.549 3229 S HA 0.775 5.245 4.470 0.000 0.000 0.280 3229 S C -1.582 172.919 174.600 -0.164 0.000 1.109 3229 S CA -0.434 57.554 58.200 -0.353 0.000 0.905 3229 S CB 1.391 64.451 63.200 -0.234 0.000 1.081 3229 S HN 0.472 nan 8.310 nan 0.000 0.477 3230 Y N -0.033 120.180 120.300 -0.145 0.000 2.553 3230 Y HA 0.835 5.385 4.550 0.000 0.000 0.347 3230 Y C -0.873 175.004 175.900 -0.039 0.000 1.019 3230 Y CA -0.881 57.199 58.100 -0.034 0.000 1.032 3230 Y CB 1.413 39.936 38.460 0.105 0.000 1.284 3230 Y HN 0.421 nan 8.280 nan 0.000 0.466 3231 T N 2.966 117.655 114.554 0.225 0.000 3.011 3231 T HA 0.503 4.853 4.350 0.000 0.000 0.303 3231 T C -1.434 173.361 174.700 0.159 0.000 0.997 3231 T CA -0.638 61.509 62.100 0.078 0.000 1.007 3231 T CB 1.363 70.218 68.868 -0.022 0.000 1.017 3231 T HN 0.625 nan 8.240 nan 0.000 0.443 3232 V N 4.228 124.214 119.914 0.120 0.000 2.394 3232 V HA 0.474 4.594 4.120 0.000 0.000 0.282 3232 V C -1.078 175.047 176.094 0.050 0.000 1.031 3232 V CA -0.728 61.668 62.300 0.159 0.000 0.881 3232 V CB 0.746 32.654 31.823 0.141 0.000 0.982 3232 V HN 0.810 nan 8.190 nan 0.000 0.451 3233 Y N 3.025 123.506 120.300 0.302 0.000 2.352 3233 Y HA 0.498 5.048 4.550 0.000 0.000 0.339 3233 Y C 0.299 176.396 175.900 0.328 0.000 0.992 3233 Y CA -0.346 57.927 58.100 0.289 0.000 1.100 3233 Y CB 1.721 40.344 38.460 0.271 0.000 1.192 3233 Y HN 0.553 nan 8.280 nan 0.000 0.458 3234 Q N 2.121 122.184 119.800 0.439 0.000 2.290 3234 Q HA 0.433 4.773 4.340 0.000 0.000 0.259 3234 Q C -0.927 175.222 176.000 0.248 0.000 0.941 3234 Q CA -0.556 55.416 55.803 0.281 0.000 0.912 3234 Q CB 1.339 30.284 28.738 0.345 0.000 1.244 3234 Q HN 0.657 nan 8.270 nan 0.000 0.441 3235 S N 4.256 119.998 115.700 0.072 0.000 2.429 3235 S HA 0.618 5.088 4.470 0.000 0.000 0.302 3235 S C -1.375 173.283 174.600 0.097 0.000 1.115 3235 S CA -0.360 57.906 58.200 0.109 0.000 1.095 3235 S CB 0.202 63.577 63.200 0.292 0.000 0.987 3235 S HN 0.564 nan 8.310 nan 0.000 0.474 3236 Y N 2.132 122.419 120.300 -0.022 0.000 2.744 3236 Y HA 0.724 5.274 4.550 0.000 0.000 0.330 3236 Y C -1.845 174.041 175.900 -0.024 0.000 1.263 3236 Y CA -1.569 56.507 58.100 -0.040 0.000 1.065 3236 Y CB 0.871 39.309 38.460 -0.037 0.000 1.306 3236 Y HN 0.394 nan 8.280 nan 0.000 0.459 3237 L N 2.312 123.632 121.223 0.162 0.000 2.313 3237 L HA 0.481 4.821 4.340 0.000 0.000 0.283 3237 L C -1.016 175.964 176.870 0.183 0.000 1.013 3237 L CA -0.570 54.304 54.840 0.057 0.000 0.816 3237 L CB 1.482 43.549 42.059 0.013 0.000 1.236 3237 L HN 0.667 nan 8.230 nan 0.000 0.419 3238 D N 1.345 121.832 120.400 0.145 0.000 2.384 3238 D HA 0.272 4.912 4.640 0.000 0.000 0.250 3238 D C -0.414 175.945 176.300 0.098 0.000 1.029 3238 D CA -0.052 54.061 54.000 0.187 0.000 0.990 3238 D CB 1.269 42.220 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 -0.510 175.496 176.000 0.010 0.000 1.396 3239 Q CA 0.116 55.952 55.803 0.055 0.000 0.838 3239 Q CB -1.369 27.412 28.738 0.071 0.000 1.140 3239 Q HN 0.409 nan 8.270 nan 0.000 0.415 3240 L N 2.136 123.307 121.223 -0.086 0.000 2.499 3240 L HA 0.168 4.508 4.340 0.000 0.000 0.273 3240 L C -1.145 175.690 176.870 -0.059 0.000 1.195 3240 L CA -1.355 53.375 54.840 -0.184 0.000 0.882 3240 L CB -0.292 41.428 42.059 -0.565 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 -0.763 176.636 177.300 0.165 0.000 1.204 3241 P CA -0.095 63.049 63.100 0.073 0.000 0.768 3241 P CB 1.178 32.907 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 0.914 177.067 176.094 0.097 0.000 1.035 3242 V CA -0.034 62.378 62.300 0.187 0.000 0.889 3242 V CB 1.601 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 2.135 110.980 108.800 0.075 0.000 3.247 3243 G HA2 0.583 4.543 3.960 0.000 0.000 0.199 3243 G HA3 0.583 4.543 3.960 0.000 0.000 0.199 3243 G C -0.263 174.652 174.900 0.026 0.000 1.172 3243 G CA 0.237 45.364 45.100 0.046 0.000 0.844 3243 G HN 0.788 nan 8.290 nan 0.000 0.619 3244 Q N -1.366 118.446 119.800 0.020 0.000 2.844 3244 Q HA 0.528 4.868 4.340 0.000 0.000 0.235 3244 Q C 0.365 176.370 176.000 0.007 0.000 1.336 3244 Q CA 0.757 56.566 55.803 0.010 0.000 1.026 3244 Q CB -1.226 27.518 28.738 0.009 0.000 1.513 3244 Q HN 2.264 nan 8.270 nan 0.000 0.577 3245 N N -1.266 117.434 118.700 -0.000 0.000 3.400 3245 N HA 0.441 5.181 4.740 0.000 0.000 0.134 3245 N C 1.234 176.733 175.510 -0.018 0.000 1.073 3245 N CA 0.858 53.905 53.050 -0.005 0.000 2.788 3245 N CB -1.292 37.199 38.487 0.007 0.000 1.172 3245 N HN 2.129 nan 8.380 nan 0.000 0.820 3246 G N -0.538 108.241 108.800 -0.034 0.000 2.484 3246 G HA2 -0.045 3.915 3.960 0.000 0.000 0.225 3246 G HA3 -0.045 3.915 3.960 0.000 0.000 0.225 3246 G C -0.226 174.680 174.900 0.010 0.000 1.250 3246 G CA -0.233 44.809 45.100 -0.097 0.000 0.926 3246 G HN 1.252 nan 8.290 nan 0.000 0.581 3247 Y N 0.346 120.657 120.300 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 -0.197 57.914 58.100 0.020 0.000 1.499 3247 Y CB 0.308 38.782 38.460 0.023 0.000 1.288 3247 Y HN 0.333 nan 8.280 nan 0.000 0.575 3248 I N 6.141 126.829 120.570 0.196 0.000 2.308 3248 I HA 0.128 4.298 4.170 0.000 0.000 0.293 3248 I C -0.606 175.557 176.117 0.077 0.000 1.078 3248 I CA 0.252 61.613 61.300 0.102 0.000 1.292 3248 I CB -0.001 38.042 38.000 0.071 0.000 1.423 3248 I HN 0.340 nan 8.210 nan 0.000 0.493 3249 L N 8.691 129.956 121.223 0.069 0.000 2.408 3249 L HA 0.506 4.846 4.340 0.000 0.000 0.268 3249 L C -2.390 174.496 176.870 0.026 0.000 0.986 3249 L CA -1.902 52.965 54.840 0.045 0.000 0.820 3249 L CB 2.350 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 0.702 177.999 177.300 -0.004 0.000 1.428 3250 P CA -0.211 62.887 63.100 -0.003 0.000 0.995 3250 P CB 0.670 32.361 31.700 -0.015 0.000 1.286 3251 L N 2.768 123.991 121.223 0.001 0.000 2.079 3251 L HA -0.177 4.163 4.340 0.000 0.000 0.210 3251 L C 2.420 179.281 176.870 -0.014 0.000 1.081 3251 L CA 1.422 56.263 54.840 0.002 0.000 0.752 3251 L CB -0.552 41.511 42.059 0.007 0.000 0.896 3251 L HN 0.270 nan 8.230 nan 0.000 0.433 3252 I N -0.475 120.076 120.570 -0.032 0.000 2.233 3252 I HA -0.243 3.927 4.170 0.000 0.000 0.243 3252 I C 2.111 178.180 176.117 -0.080 0.000 1.093 3252 I CA 1.023 62.289 61.300 -0.057 0.000 1.380 3252 I CB -0.430 37.527 38.000 -0.073 0.000 1.067 3252 I HN 0.207 nan 8.210 nan 0.000 0.413 3253 D N 1.310 121.662 120.400 -0.079 0.000 2.106 3253 D HA -0.179 4.461 4.640 0.000 0.000 0.191 3253 D C 2.164 178.435 176.300 -0.048 0.000 0.997 3253 D CA 1.480 55.425 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 -0.013 4.327 4.340 0.000 0.000 0.228 3254 L C 1.526 178.416 176.870 0.034 0.000 1.153 3254 L CA 0.711 55.565 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 -3.258 112.445 115.700 0.005 0.000 2.650 3255 S HA 0.179 4.649 4.470 0.000 0.000 0.240 3255 S C 0.504 175.093 174.600 -0.017 0.000 1.007 3255 S CA -0.558 57.646 58.200 0.007 0.000 0.984 3255 S CB 0.179 63.381 63.200 0.004 0.000 0.910 3255 S HN 0.086 nan 8.310 nan 0.000 0.509 3256 T N 2.826 117.356 114.554 -0.040 0.000 2.855 3256 T HA 0.598 4.948 4.350 0.000 0.000 0.281 3256 T C -0.570 174.109 174.700 -0.036 0.000 1.007 3256 T CA -0.593 61.463 62.100 -0.074 0.000 1.009 3256 T CB 1.326 70.077 68.868 -0.195 0.000 0.983 3256 T HN 0.254 nan 8.240 nan 0.000 0.455 3257 L N 3.035 124.236 121.223 -0.037 0.000 2.295 3257 L HA 0.489 4.829 4.340 0.000 0.000 0.285 3257 L C -0.996 175.943 176.870 0.115 0.000 1.035 3257 L CA -1.124 53.671 54.840 -0.075 0.000 0.806 3257 L CB 0.825 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 4.266 124.603 120.300 0.062 0.000 2.402 3258 Y HA 0.484 5.034 4.550 0.000 0.000 0.332 3258 Y C -0.877 174.968 175.900 -0.092 0.000 0.960 3258 Y CA -1.154 57.042 58.100 0.160 0.000 1.228 3258 Y CB 0.618 39.305 38.460 0.379 0.000 1.120 3258 Y HN 0.529 nan 8.280 nan 0.000 0.491 3259 N N 5.064 123.329 118.700 -0.725 0.000 2.312 3259 N HA 0.552 5.292 4.740 0.000 0.000 0.296 3259 N C -1.894 173.108 175.510 -0.847 0.000 1.193 3259 N CA -0.627 51.925 53.050 -0.830 0.000 0.773 3259 N CB 2.305 40.302 38.487 -0.817 0.000 1.435 3259 N HN 0.486 nan 8.380 nan 0.000 0.484 3260 L N 0.728 121.654 121.223 -0.494 0.000 2.346 3260 L HA 0.521 4.861 4.340 0.000 0.000 0.276 3260 L C 0.025 176.881 176.870 -0.023 0.000 1.006 3260 L CA -0.212 54.508 54.840 -0.200 0.000 0.817 3260 L CB 1.446 43.352 42.059 -0.256 0.000 1.272 3260 L HN 0.478 nan 8.230 nan 0.000 0.421 3261 E N 2.075 122.399 120.200 0.207 0.000 2.412 3261 E HA 0.476 4.826 4.350 0.000 0.000 0.279 3261 E C -1.538 175.153 176.600 0.152 0.000 0.984 3261 E CA -0.914 55.602 56.400 0.195 0.000 0.788 3261 E CB 2.974 32.856 29.700 0.303 0.000 1.277 3261 E HN 0.644 nan 8.360 nan 0.000 0.455 3262 N N -0.134 118.592 118.700 0.043 0.000 2.455 3262 N HA 0.533 5.273 4.740 0.000 0.000 0.278 3262 N C -1.268 174.271 175.510 0.049 0.000 1.291 3262 N CA -0.575 52.432 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 -1.254 114.484 115.700 0.064 0.000 2.656 3263 S HA 0.862 5.332 4.470 0.000 0.000 0.273 3263 S C -1.495 173.175 174.600 0.117 0.000 1.168 3263 S CA -0.959 57.307 58.200 0.110 0.000 0.817 3263 S CB 1.238 64.528 63.200 0.150 0.000 1.146 3263 S HN 1.035 nan 8.310 nan 0.000 0.475 3264 A N 0.947 123.841 122.820 0.124 0.000 2.355 3264 A HA 0.810 5.130 4.320 0.000 0.000 0.317 3264 A C -1.024 176.639 177.584 0.132 0.000 1.094 3264 A CA -0.677 51.440 52.037 0.132 0.000 0.764 3264 A CB 1.255 20.334 19.000 0.132 0.000 1.230 3264 A HN 0.614 nan 8.150 nan 0.000 0.448 3265 Q N 0.384 120.280 119.800 0.161 0.000 2.353 3265 Q HA 0.735 5.075 4.340 0.000 0.000 0.268 3265 Q C -0.557 175.592 176.000 0.248 0.000 1.045 3265 Q CA -0.438 55.505 55.803 0.233 0.000 0.811 3265 Q CB 2.218 31.146 28.738 0.315 0.000 1.305 3265 Q HN 0.978 nan 8.270 nan 0.000 0.447 3266 A N -0.281 122.695 122.820 0.260 0.000 2.435 3266 A HA 0.911 5.231 4.320 0.000 0.000 0.296 3266 A C 0.306 178.034 177.584 0.241 0.000 1.147 3266 A CA -0.168 51.942 52.037 0.121 0.000 0.775 3266 A CB 1.543 20.582 19.000 0.065 0.000 1.340 3266 A HN 0.975 nan 8.150 nan 0.000 0.427 3267 G N -0.853 107.981 108.800 0.057 0.000 2.157 3267 G HA2 0.023 3.983 3.960 0.000 0.000 0.118 3267 G HA3 0.023 3.983 3.960 0.000 0.000 0.118 3267 G C -0.461 174.483 174.900 0.074 0.000 1.032 3267 G CA -0.127 45.078 45.100 0.174 0.000 0.697 3267 G HN 0.741 nan 8.290 nan 0.000 0.495 3268 L N 1.974 123.000 121.223 -0.328 0.000 2.371 3268 L HA 0.735 5.075 4.340 0.000 0.000 0.272 3268 L C 0.899 177.687 176.870 -0.137 0.000 1.124 3268 L CA 0.461 55.067 54.840 -0.390 0.000 0.816 3268 L CB 1.620 43.293 42.059 -0.644 0.000 1.129 3268 L HN 0.403 nan 8.230 nan 0.000 0.448 3269 T N 0.379 114.886 114.554 -0.078 0.000 2.933 3269 T HA 0.537 4.887 4.350 0.000 0.000 0.305 3269 T C -2.830 171.839 174.700 -0.052 0.000 1.092 3269 T CA -2.336 59.738 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 -1.131 117.523 118.700 -0.076 0.000 2.778 3271 N HA -0.154 4.586 4.740 0.000 0.000 0.249 3271 N C -0.684 174.788 175.510 -0.063 0.000 1.069 3271 N CA 0.297 53.302 53.050 -0.074 0.000 0.831 3271 N CB -1.406 37.060 38.487 -0.035 0.000 1.142 3271 N HN 0.130 nan 8.380 nan 0.000 0.573 3272 V N 0.643 120.517 119.914 -0.066 0.000 2.513 3272 V HA 0.258 4.378 4.120 0.000 0.000 0.299 3272 V C 0.019 176.084 176.094 -0.047 0.000 1.035 3272 V CA -0.711 61.569 62.300 -0.034 0.000 0.889 3272 V CB 1.792 33.613 31.823 -0.003 0.000 0.988 3272 V HN 0.016 nan 8.190 nan 0.000 0.440 3273 D N 3.248 123.633 120.400 -0.024 0.000 2.382 3273 D HA 0.141 4.781 4.640 0.000 0.000 0.259 3273 D C -0.547 175.769 176.300 0.027 0.000 1.224 3273 D CA 0.409 54.395 54.000 -0.023 0.000 0.894 3273 D CB 0.416 41.226 40.800 0.017 0.000 1.127 3273 D HN 0.350 nan 8.370 nan 0.000 0.487 3274 F N 3.667 123.527 119.950 -0.151 0.000 2.391 3274 F HA 0.305 4.832 4.527 0.000 0.000 0.359 3274 F C -0.621 175.122 175.800 -0.096 0.000 1.122 3274 F CA -0.742 57.182 58.000 -0.126 0.000 1.120 3274 F CB 0.723 39.619 39.000 -0.174 0.000 1.142 3274 F HN -0.004 nan 8.300 nan 0.000 0.483 3275 V N 7.062 126.719 119.914 -0.428 0.000 2.384 3275 V HA 0.365 4.485 4.120 0.000 0.000 0.287 3275 V C -0.581 175.270 176.094 -0.405 0.000 1.020 3275 V CA -0.876 61.244 62.300 -0.301 0.000 0.850 3275 V CB 1.458 33.174 31.823 -0.178 0.000 0.987 3275 V HN 0.483 nan 8.190 nan 0.000 0.436 3276 V N 5.298 125.073 119.914 -0.233 0.000 2.311 3276 V HA 0.309 4.429 4.120 0.000 0.000 0.275 3276 V C 0.192 176.167 176.094 -0.197 0.000 1.022 3276 V CA -0.701 61.475 62.300 -0.208 0.000 0.830 3276 V CB 1.106 32.877 31.823 -0.086 0.000 1.012 3276 V HN 0.805 nan 8.190 nan 0.000 0.452 3277 Q N 2.868 122.561 119.800 -0.178 0.000 2.364 3277 Q HA 0.211 4.551 4.340 0.000 0.000 0.267 3277 Q C -0.682 175.179 176.000 -0.232 0.000 0.999 3277 Q CA 0.115 55.837 55.803 -0.136 0.000 0.886 3277 Q CB 0.873 29.558 28.738 -0.089 0.000 1.243 3277 Q HN 0.623 nan 8.270 nan 0.000 0.415 3278 Y N -0.031 120.164 120.300 -0.175 0.000 2.402 3278 Y HA 0.130 4.680 4.550 0.000 0.000 0.333 3278 Y C 0.938 176.707 175.900 -0.218 0.000 1.076 3278 Y CA -0.233 57.635 58.100 -0.385 0.000 1.299 3278 Y CB 0.778 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 3.826 126.598 122.820 -0.080 0.000 2.863 3279 A HA 0.226 4.546 4.320 0.000 0.000 0.246 3279 A C 1.132 178.621 177.584 -0.159 0.000 1.772 3279 A CA 0.548 52.520 52.037 -0.107 0.000 1.456 3279 A CB -2.170 16.718 19.000 -0.186 0.000 0.930 3279 A HN 1.123 nan 8.150 nan 0.000 0.630 3280 N N -1.016 117.669 118.700 -0.024 0.000 3.699 3280 N HA -0.059 4.681 4.740 0.000 0.000 0.355 3280 N C 0.851 176.271 175.510 -0.150 0.000 1.094 3280 N CA 1.118 54.136 53.050 -0.054 0.000 2.627 3280 N CB -0.569 37.859 38.487 -0.098 0.000 0.583 3280 N HN 1.382 nan 8.380 nan 0.000 0.831 3281 L N -2.830 118.358 121.223 -0.059 0.000 3.898 3281 L HA -0.210 4.130 4.340 0.000 0.000 0.382 3281 L C 0.877 177.946 176.870 0.332 0.000 0.711 3281 L CA 2.135 57.025 54.840 0.082 0.000 2.828 3281 L CB -2.115 39.930 42.059 -0.022 0.000 0.852 3281 L HN 0.915 nan 8.230 nan 0.000 0.694 3282 Y N 0.100 120.405 120.300 0.009 0.000 2.326 3282 Y HA 0.357 4.907 4.550 0.000 0.000 0.333 3282 Y C 1.019 176.896 175.900 -0.038 0.000 1.240 3282 Y CA -0.802 57.151 58.100 -0.245 0.000 1.365 3282 Y CB 0.418 38.233 38.460 -1.074 0.000 1.289 3282 Y HN -0.029 nan 8.280 nan 0.000 0.548 3283 R N 2.491 123.062 120.500 0.119 0.000 2.278 3283 R HA 0.212 4.552 4.340 0.000 0.000 0.322 3283 R C -1.803 174.554 176.300 0.095 0.000 1.058 3283 R CA -0.494 55.679 56.100 0.122 0.000 0.991 3283 R CB 0.113 30.422 30.300 0.015 0.000 1.140 3283 R HN 0.481 nan 8.270 nan 0.000 0.518 3284 Y N 3.263 123.682 120.300 0.199 0.000 2.531 3284 Y HA 0.024 4.574 4.550 0.000 0.000 0.347 3284 Y C 1.325 177.301 175.900 0.127 0.000 1.024 3284 Y CA -0.229 58.003 58.100 0.221 0.000 1.306 3284 Y CB 0.470 39.074 38.460 0.241 0.000 1.149 3284 Y HN 0.482 nan 8.280 nan 0.000 0.527 3285 L N 1.905 123.252 121.223 0.208 0.000 2.162 3285 L HA 0.012 4.352 4.340 0.000 0.000 0.205 3285 L C 0.798 177.787 176.870 0.199 0.000 1.086 3285 L CA 0.681 55.582 54.840 0.102 0.000 0.778 3285 L CB -0.133 41.895 42.059 -0.051 0.000 0.928 3285 L HN 0.625 nan 8.230 nan 0.000 0.446 3286 S N -2.048 113.834 115.700 0.304 0.000 2.570 3286 S HA 0.596 5.066 4.470 0.000 0.000 0.270 3286 S C -0.627 174.187 174.600 0.358 0.000 1.149 3286 S CA -0.700 57.655 58.200 0.259 0.000 0.837 3286 S CB 2.341 65.738 63.200 0.328 0.000 1.124 3286 S HN -0.074 nan 8.310 nan 0.000 0.465 3287 T N 1.992 116.672 114.554 0.210 0.000 2.921 3287 T HA 0.595 4.945 4.350 0.000 0.000 0.297 3287 T C -0.926 173.767 174.700 -0.011 0.000 1.013 3287 T CA -0.419 61.756 62.100 0.125 0.000 0.990 3287 T CB 0.866 69.836 68.868 0.170 0.000 1.023 3287 T HN 0.660 nan 8.240 nan 0.000 0.447 3288 I N 2.332 122.837 120.570 -0.108 0.000 2.465 3288 I HA 0.702 4.872 4.170 0.000 0.000 0.291 3288 I C -0.275 175.712 176.117 -0.217 0.000 1.014 3288 I CA -1.008 60.265 61.300 -0.045 0.000 1.093 3288 I CB 1.720 39.791 38.000 0.119 0.000 1.267 3288 I HN 0.717 nan 8.210 nan 0.000 0.431 3289 A N 6.493 129.227 122.820 -0.144 0.000 2.335 3289 A HA 0.736 5.056 4.320 0.000 0.000 0.304 3289 A C -1.005 176.655 177.584 0.127 0.000 1.118 3289 A CA -0.470 51.497 52.037 -0.115 0.000 0.757 3289 A CB 1.289 20.140 19.000 -0.249 0.000 1.188 3289 A HN 0.405 nan 8.150 nan 0.000 0.460 3290 V N 3.445 123.448 119.914 0.149 0.000 2.347 3290 V HA 0.292 4.412 4.120 0.000 0.000 0.280 3290 V C -0.621 175.648 176.094 0.292 0.000 1.021 3290 V CA -0.399 62.030 62.300 0.215 0.000 0.847 3290 V CB 1.130 33.036 31.823 0.138 0.000 0.990 3290 V HN 0.779 nan 8.190 nan 0.000 0.444 3291 F N 5.329 125.360 119.950 0.136 0.000 2.515 3291 F HA 0.355 4.882 4.527 0.000 0.000 0.353 3291 F C 0.470 176.137 175.800 -0.220 0.000 1.213 3291 F CA -1.754 56.245 58.000 -0.001 0.000 1.194 3291 F CB 0.131 39.163 39.000 0.054 0.000 1.488 3291 F HN 0.605 nan 8.300 nan 0.000 0.619 3292 D N 4.164 124.534 120.400 -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 0.057 53.698 54.000 -0.598 0.000 0.947 3292 D CB -0.310 40.373 40.800 -0.195 0.000 1.048 3292 D HN 0.253 nan 8.370 nan 0.000 0.512 3293 N N 2.829 120.975 118.700 -0.923 0.000 3.050 3293 N HA 0.205 4.945 4.740 0.000 0.000 0.289 3293 N C 0.790 176.013 175.510 -0.478 0.000 1.209 3293 N CA 0.455 53.021 53.050 -0.805 0.000 1.154 3293 N CB -0.440 37.359 38.487 -1.148 0.000 1.444 3293 N HN 0.613 nan 8.380 nan 0.000 0.529 3294 G N 0.923 109.535 108.800 -0.313 0.000 2.273 3294 G HA2 -0.215 3.745 3.960 0.000 0.000 0.280 3294 G HA3 -0.215 3.745 3.960 0.000 0.000 0.280 3294 G C 0.956 175.733 174.900 -0.204 0.000 1.047 3294 G CA 0.524 45.502 45.100 -0.202 0.000 0.869 3294 G HN 1.120 nan 8.290 nan 0.000 0.502 3295 G N -2.403 106.230 108.800 -0.278 0.000 2.195 3295 G HA2 -0.044 3.916 3.960 0.000 0.000 0.246 3295 G HA3 -0.044 3.916 3.960 0.000 0.000 0.246 3295 G C 0.431 175.216 174.900 -0.192 0.000 0.984 3295 G CA 0.655 45.665 45.100 -0.150 0.000 0.633 3295 G HN 1.727 nan 8.290 nan 0.000 0.525 3296 S N 0.141 115.596 115.700 -0.408 0.000 2.489 3296 S HA 0.765 5.235 4.470 0.000 0.000 0.291 3296 S C -0.816 173.402 174.600 -0.638 0.000 1.151 3296 S CA -0.323 57.681 58.200 -0.326 0.000 1.082 3296 S CB 0.872 63.910 63.200 -0.270 0.000 1.019 3296 S HN 0.304 nan 8.310 nan 0.000 0.492 3297 F N 2.973 122.814 119.950 -0.181 0.000 2.445 3297 F HA 0.436 4.963 4.527 0.000 0.000 0.348 3297 F C 0.457 176.190 175.800 -0.111 0.000 1.125 3297 F CA -0.859 57.043 58.000 -0.164 0.000 0.983 3297 F CB 1.137 40.044 39.000 -0.156 0.000 1.198 3297 F HN 0.385 nan 8.300 nan 0.000 0.436 3298 N N 1.464 120.155 118.700 -0.014 0.000 2.417 3298 N HA 0.491 5.231 4.740 0.000 0.000 0.300 3298 N C -0.426 175.146 175.510 0.102 0.000 1.102 3298 N CA -0.676 52.386 53.050 0.020 0.000 0.886 3298 N CB 2.217 40.677 38.487 -0.044 0.000 1.203 3298 N HN 0.568 nan 8.380 nan 0.000 0.496 3299 A N 0.666 123.545 122.820 0.099 0.000 3.063 3299 A HA 0.456 4.776 4.320 0.000 0.000 0.263 3299 A C 1.360 179.051 177.584 0.179 0.000 1.736 3299 A CA 0.326 52.443 52.037 0.132 0.000 1.408 3299 A CB -1.424 17.634 19.000 0.096 0.000 1.108 3299 A HN 0.911 nan 8.150 nan 0.000 0.621 3300 G N 1.101 110.069 108.800 0.280 0.000 2.302 3300 G HA2 -0.423 3.537 3.960 0.000 0.000 0.263 3300 G HA3 -0.423 3.537 3.960 0.000 0.000 0.263 3300 G C 1.358 176.338 174.900 0.133 0.000 0.995 3300 G CA 1.573 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 -0.694 113.920 114.554 0.100 0.000 3.025 3301 T HA 0.041 4.391 4.350 0.000 0.000 0.270 3301 T C 1.485 176.209 174.700 0.040 0.000 1.126 3301 T CA 1.872 64.007 62.100 0.057 0.000 1.105 3301 T CB -0.233 68.659 68.868 0.039 0.000 0.884 3301 T HN 0.622 nan 8.240 nan 0.000 0.522 3302 D N 0.310 120.744 120.400 0.056 0.000 2.368 3302 D HA 0.250 4.890 4.640 0.000 0.000 0.218 3302 D C 0.171 176.545 176.300 0.123 0.000 1.112 3302 D CA -0.498 53.540 54.000 0.065 0.000 0.834 3302 D CB -0.285 40.513 40.800 -0.004 0.000 0.953 3302 D HN 0.482 nan 8.370 nan 0.000 0.505 3303 I N 0.469 121.068 120.570 0.049 0.000 2.545 3303 I HA 0.223 4.393 4.170 0.000 0.000 0.292 3303 I C 0.602 176.661 176.117 -0.096 0.000 1.040 3303 I CA -0.864 60.396 61.300 -0.067 0.000 1.068 3303 I CB 2.146 40.049 38.000 -0.162 0.000 1.251 3303 I HN -0.270 nan 8.210 nan 0.000 0.424 3304 N N 3.819 122.410 118.700 -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 1.346 54.327 53.050 -0.114 0.000 0.856 3304 N CB 0.282 38.654 38.487 -0.193 0.000 0.997 3304 N HN 0.627 nan 8.380 nan 0.000 0.429 3305 Y N -1.861 118.361 120.300 -0.129 0.000 2.713 3305 Y HA 0.641 5.191 4.550 0.000 0.000 0.335 3305 Y C -1.774 173.955 175.900 -0.285 0.000 1.222 3305 Y CA -1.462 56.546 58.100 -0.153 0.000 1.061 3305 Y CB 0.483 38.892 38.460 -0.085 0.000 1.314 3305 Y HN -0.282 nan 8.280 nan 0.000 0.453 3306 L N 1.601 122.775 121.223 -0.081 0.000 2.333 3306 L HA 0.927 5.267 4.340 0.000 0.000 0.263 3306 L C -0.143 176.610 176.870 -0.195 0.000 1.014 3306 L CA -0.547 54.006 54.840 -0.479 0.000 0.820 3306 L CB 2.219 43.499 42.059 -1.298 0.000 1.352 3306 L HN 0.897 nan 8.230 nan 0.000 0.421 3307 S N -0.159 115.326 115.700 -0.360 0.000 2.636 3307 S HA 0.547 5.017 4.470 0.000 0.000 0.266 3307 S C -2.094 172.389 174.600 -0.194 0.000 1.147 3307 S CA -0.635 57.532 58.200 -0.054 0.000 0.815 3307 S CB 1.532 64.724 63.200 -0.013 0.000 1.119 3307 S HN 0.576 nan 8.310 nan 0.000 0.470 3308 Q N 1.248 121.046 119.800 -0.004 0.000 2.330 3308 Q HA 0.542 4.882 4.340 0.000 0.000 0.269 3308 Q C -0.946 175.052 176.000 -0.003 0.000 1.022 3308 Q CA -0.583 55.242 55.803 0.038 0.000 0.796 3308 Q CB 2.252 31.062 28.738 0.120 0.000 1.271 3308 Q HN 0.551 nan 8.270 nan 0.000 0.450 3309 R N 1.107 121.610 120.500 0.004 0.000 2.686 3309 R HA 0.556 4.896 4.340 0.000 0.000 0.283 3309 R C -0.847 175.438 176.300 -0.024 0.000 0.978 3309 R CA -0.226 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 0.047 114.566 114.554 -0.058 0.000 2.948 3310 T HA 0.581 4.931 4.350 0.000 0.000 0.285 3310 T C 0.219 174.904 174.700 -0.024 0.000 1.019 3310 T CA -0.752 61.316 62.100 -0.055 0.000 1.013 3310 T CB 1.569 70.364 68.868 -0.121 0.000 1.117 3310 T HN 0.646 nan 8.240 nan 0.000 0.533 3311 A N 0.913 123.731 122.820 -0.003 0.000 2.535 3311 A HA 0.510 4.830 4.320 0.000 0.000 0.290 3311 A C 1.316 178.895 177.584 -0.007 0.000 1.270 3311 A CA 0.422 52.458 52.037 -0.001 0.000 0.937 3311 A CB -2.208 16.798 19.000 0.010 0.000 1.096 3311 A HN 1.976 nan 8.150 nan 0.000 0.534 3312 N N 0.007 118.698 118.700 -0.015 0.000 2.542 3312 N HA 0.378 5.118 4.740 0.000 0.000 0.218 3312 N C 1.126 176.622 175.510 -0.023 0.000 1.607 3312 N CA 0.808 53.848 53.050 -0.017 0.000 3.190 3312 N CB -1.913 36.563 38.487 -0.018 0.000 1.504 3312 N HN 2.273 nan 8.380 nan 0.000 1.106 3313 F N -0.289 119.647 119.950 -0.024 0.000 3.048 3313 F HA -0.096 4.431 4.527 0.000 0.000 0.287 3313 F C 1.017 176.795 175.800 -0.037 0.000 0.796 3313 F CA 1.775 59.759 58.000 -0.027 0.000 1.111 3313 F CB -2.196 36.790 39.000 -0.023 0.000 1.320 3313 F HN 1.533 nan 8.300 nan 0.000 0.430 3314 S N 1.419 117.094 115.700 -0.041 0.000 2.439 3314 S HA 0.458 4.928 4.470 0.000 0.000 0.282 3314 S C -0.305 174.259 174.600 -0.061 0.000 1.170 3314 S CA -0.002 58.168 58.200 -0.050 0.000 1.054 3314 S CB 0.305 63.475 63.200 -0.049 0.000 0.956 3314 S HN 0.486 nan 8.310 nan 0.000 0.490 3315 D N 3.414 123.775 120.400 -0.064 0.000 2.264 3315 D HA 0.147 4.787 4.640 0.000 0.000 0.250 3315 D C 1.128 177.390 176.300 -0.063 0.000 1.113 3315 D CA -0.007 53.954 54.000 -0.065 0.000 0.871 3315 D CB 1.753 42.503 40.800 -0.083 0.000 1.167 3315 D HN 0.713 nan 8.370 nan 0.000 0.447 3316 T N -0.446 114.072 114.554 -0.060 0.000 3.065 3316 T HA 0.004 4.354 4.350 0.000 0.000 0.252 3316 T C 0.977 175.651 174.700 -0.044 0.000 1.099 3316 T CA -0.121 61.942 62.100 -0.062 0.000 1.063 3316 T CB 0.171 68.989 68.868 -0.084 0.000 0.948 3316 T HN 0.591 nan 8.240 nan 0.000 0.506 3317 R N 0.278 120.767 120.500 -0.019 0.000 2.714 3317 R HA 0.311 4.651 4.340 0.000 0.000 0.214 3317 R C -0.867 175.482 176.300 0.082 0.000 1.474 3317 R CA -0.648 55.454 56.100 0.004 0.000 1.435 3317 R CB -0.312 29.964 30.300 -0.041 0.000 1.517 3317 R HN 0.084 nan 8.270 nan 0.000 0.748 3318 K N 2.989 123.395 120.400 0.010 0.000 2.292 3318 K HA 0.278 4.598 4.320 0.000 0.000 0.290 3318 K C -0.946 175.663 176.600 0.015 0.000 1.083 3318 K CA -0.165 56.104 56.287 -0.030 0.000 0.918 3318 K CB 0.431 32.805 32.500 -0.209 0.000 1.089 3318 K HN 0.448 nan 8.250 nan 0.000 0.473 3319 L N 3.381 124.706 121.223 0.170 0.000 2.370 3319 L HA 0.354 4.694 4.340 0.000 0.000 0.266 3319 L C -0.292 176.711 176.870 0.223 0.000 1.002 3319 L CA -1.384 53.578 54.840 0.204 0.000 0.818 3319 L CB 1.926 44.168 42.059 0.305 0.000 1.325 3319 L HN 0.715 nan 8.230 nan 0.000 0.418 3320 D N 0.701 121.204 120.400 0.171 0.000 2.368 3320 D HA 0.128 4.768 4.640 0.000 0.000 0.240 3320 D C -2.096 174.312 176.300 0.181 0.000 1.169 3320 D CA -1.145 52.948 54.000 0.155 0.000 0.906 3320 D CB 0.626 41.497 40.800 0.118 0.000 1.187 3320 D HN 0.207 nan 8.370 nan 0.000 0.435 3321 P HA -0.198 nan 4.420 nan 0.000 0.216 3321 P C 1.007 178.469 177.300 0.271 0.000 1.153 3321 P CA 1.504 64.700 63.100 0.159 0.000 0.858 3321 P CB 0.111 31.868 31.700 0.095 0.000 0.789 3322 K N -1.214 119.309 120.400 0.204 0.000 2.097 3322 K HA -0.048 4.272 4.320 0.000 0.000 0.205 3322 K C 1.915 178.635 176.600 0.199 0.000 1.050 3322 K CA 1.540 57.943 56.287 0.193 0.000 0.938 3322 K CB -0.625 31.955 32.500 0.134 0.000 0.718 3322 K HN 0.165 nan 8.250 nan 0.000 0.442 3323 T N 0.474 115.143 114.554 0.192 0.000 2.904 3323 T HA -0.143 4.207 4.350 0.000 0.000 0.267 3323 T C 1.183 176.006 174.700 0.204 0.000 1.059 3323 T CA 0.599 62.796 62.100 0.161 0.000 1.137 3323 T CB -0.133 68.811 68.868 0.126 0.000 0.879 3323 T HN 0.427 nan 8.240 nan 0.000 0.467 3324 W N 2.279 123.644 121.300 0.109 0.000 2.355 3324 W HA -0.090 4.570 4.660 0.000 0.000 0.309 3324 W C 2.468 179.104 176.519 0.196 0.000 1.206 3324 W CA 1.299 58.730 57.345 0.143 0.000 1.284 3324 W CB -0.641 28.908 29.460 0.148 0.000 1.145 3324 W HN 0.293 nan 8.180 nan 0.000 0.502 3325 A N 0.943 124.057 122.820 0.491 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 2.687 54.949 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 0.306 nan 8.150 nan 0.000 0.444 3326 A N -0.825 122.086 122.820 0.150 0.000 1.908 3326 A HA -0.212 4.108 4.320 0.000 0.000 0.218 3326 A C 2.093 179.707 177.584 0.050 0.000 1.181 3326 A CA 1.743 53.831 52.037 0.085 0.000 0.627 3326 A CB -0.485 18.556 19.000 0.069 0.000 0.818 3326 A HN 0.514 nan 8.150 nan 0.000 0.445 3327 Q N -0.532 119.273 119.800 0.008 0.000 2.124 3327 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 3327 Q C 2.114 178.130 176.000 0.026 0.000 0.977 3327 Q CA 1.985 57.764 55.803 -0.041 0.000 0.850 3327 Q CB -1.223 27.402 28.738 -0.188 0.000 0.901 3327 Q HN 0.647 nan 8.270 nan 0.000 0.429 3328 T N 1.044 115.653 114.554 0.092 0.000 2.821 3328 T HA -0.052 4.298 4.350 0.000 0.000 0.267 3328 T C 1.809 176.572 174.700 0.105 0.000 1.046 3328 T CA 0.717 62.944 62.100 0.212 0.000 1.139 3328 T CB -0.035 69.058 68.868 0.376 0.000 0.871 3328 T HN 0.258 nan 8.240 nan 0.000 0.454 3329 R N 0.700 121.242 120.500 0.070 0.000 2.152 3329 R HA 0.038 4.378 4.340 0.000 0.000 0.232 3329 R C 2.441 178.747 176.300 0.009 0.000 1.117 3329 R CA 0.746 56.857 56.100 0.019 0.000 0.981 3329 R CB -0.047 30.269 30.300 0.027 0.000 0.870 3329 R HN 0.210 nan 8.270 nan 0.000 0.451 3330 R N 0.133 120.648 120.500 0.026 0.000 2.189 3330 R HA 0.022 4.362 4.340 0.000 0.000 0.218 3330 R C 1.887 178.203 176.300 0.026 0.000 1.074 3330 R CA 0.711 56.822 56.100 0.019 0.000 0.991 3330 R CB 0.028 30.339 30.300 0.020 0.000 0.883 3330 R HN 0.163 nan 8.270 nan 0.000 0.457 3331 R N 0.508 121.038 120.500 0.050 0.000 2.105 3331 R HA 0.139 4.479 4.340 0.000 0.000 0.214 3331 R C 2.053 178.346 176.300 -0.012 0.000 1.091 3331 R CA 0.839 56.979 56.100 0.066 0.000 1.007 3331 R CB -0.038 30.381 30.300 0.197 0.000 0.912 3331 R HN 0.311 nan 8.270 nan 0.000 0.450 3332 I N -3.758 116.763 120.570 -0.081 0.000 4.050 3332 I HA 0.472 4.642 4.170 0.000 0.000 0.327 3332 I C 0.488 176.515 176.117 -0.150 0.000 1.473 3332 I CA 0.107 61.304 61.300 -0.173 0.000 1.124 3332 I CB 0.834 38.599 38.000 -0.392 0.000 1.129 3332 I HN -0.025 nan 8.210 nan 0.000 0.428 3333 A N 0.249 123.014 122.820 -0.092 0.000 2.861 3333 A HA -0.222 4.098 4.320 0.000 0.000 0.261 3333 A C 0.652 178.188 177.584 -0.079 0.000 1.351 3333 A CA 1.704 53.699 52.037 -0.071 0.000 0.904 3333 A CB -2.289 16.673 19.000 -0.064 0.000 1.076 3333 A HN 0.803 nan 8.150 nan 0.000 0.729 3334 T N -1.887 112.601 114.554 -0.110 0.000 2.654 3334 T HA 0.498 4.848 4.350 0.000 0.000 0.303 3334 T C -2.134 172.487 174.700 -0.132 0.000 1.656 3334 T CA 0.137 62.175 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 0.286 nan 8.240 nan 0.000 0.483 3335 D N 0.558 120.900 120.400 -0.096 0.000 2.217 3335 D HA 0.515 5.155 4.640 0.000 0.000 0.248 3335 D C -0.289 175.924 176.300 -0.145 0.000 1.008 3335 D CA -0.132 53.831 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 0.577 120.470 119.950 -0.096 0.000 2.435 3336 F HA 0.217 4.744 4.527 0.000 0.000 0.316 3336 F C -1.337 174.368 175.800 -0.158 0.000 1.220 3336 F CA -1.252 56.614 58.000 -0.222 0.000 1.241 3336 F CB 0.055 38.817 39.000 -0.397 0.000 1.234 3336 F HN 0.062 nan 8.300 nan 0.000 0.569 3337 P HA -0.009 nan 4.420 nan 0.000 0.270 3337 P C -1.157 176.179 177.300 0.061 0.000 1.227 3337 P CA -0.258 62.913 63.100 0.118 0.000 0.788 3337 P CB 0.334 32.203 31.700 0.282 0.000 0.926 3338 K N 1.168 121.610 120.400 0.070 0.000 2.530 3338 K HA 0.107 4.427 4.320 0.000 0.000 0.280 3338 K C 1.297 177.958 176.600 0.101 0.000 1.004 3338 K CA 1.286 57.614 56.287 0.069 0.000 1.071 3338 K CB -0.762 31.796 32.500 0.097 0.000 0.876 3338 K HN 0.860 nan 8.250 nan 0.000 0.487 3339 G N 1.185 109.991 108.800 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 -0.141 0.000 0.977 3339 G CA 0.074 45.224 45.100 0.083 0.000 0.641 3339 G HN 0.430 nan 8.290 nan 0.000 0.533 3340 V N 1.043 120.727 119.914 -0.384 0.000 2.370 3340 V HA 0.646 4.766 4.120 0.000 0.000 0.279 3340 V C -0.269 175.441 176.094 -0.640 0.000 1.029 3340 V CA -0.769 61.304 62.300 -0.379 0.000 0.870 3340 V CB 0.814 32.412 31.823 -0.374 0.000 0.984 3340 V HN 0.254 nan 8.190 nan 0.000 0.451 3341 Y N 4.182 124.521 120.300 0.064 0.000 2.393 3341 Y HA 0.618 5.168 4.550 0.000 0.000 0.341 3341 Y C -0.503 175.570 175.900 0.289 0.000 0.988 3341 Y CA -0.778 57.458 58.100 0.228 0.000 1.078 3341 Y CB 1.833 40.349 38.460 0.094 0.000 1.203 3341 Y HN 0.633 nan 8.280 nan 0.000 0.453 3342 Y N 2.240 122.838 120.300 0.497 0.000 2.468 3342 Y HA 0.676 5.226 4.550 0.000 0.000 0.342 3342 Y C -1.198 175.020 175.900 0.530 0.000 1.021 3342 Y CA -1.835 56.459 58.100 0.323 0.000 1.079 3342 Y CB 1.735 40.297 38.460 0.172 0.000 1.226 3342 Y HN 0.800 nan 8.280 nan 0.000 0.460 3343 C N 6.590 125.663 119.300 -0.378 0.000 2.505 3343 C HA 0.362 4.822 4.460 0.000 0.000 0.342 3343 C C -1.316 173.302 174.990 -0.620 0.000 1.121 3343 C CA -0.715 58.137 59.018 -0.277 0.000 1.306 3343 C CB -0.056 27.905 27.740 0.369 0.000 1.897 3343 C HN 0.888 nan 8.230 nan 0.000 0.446 3344 D N 3.905 124.004 120.400 -0.503 0.000 2.280 3344 D HA 0.301 4.941 4.640 0.000 0.000 0.243 3344 D C 0.103 176.373 176.300 -0.050 0.000 1.129 3344 D CA 0.319 54.192 54.000 -0.212 0.000 0.848 3344 D CB 0.763 41.567 40.800 0.007 0.000 1.107 3344 D HN 0.712 nan 8.370 nan 0.000 0.471 3345 N N 3.417 122.131 118.700 0.025 0.000 2.377 3345 N HA 0.093 4.833 4.740 0.000 0.000 0.259 3345 N C 1.104 176.651 175.510 0.063 0.000 1.332 3345 N CA -0.163 52.917 53.050 0.050 0.000 0.877 3345 N CB 0.701 39.232 38.487 0.074 0.000 1.299 3345 N HN 0.357 nan 8.380 nan 0.000 0.501 3346 R N 0.537 121.080 120.500 0.072 0.000 2.083 3346 R HA -0.067 4.273 4.340 0.000 0.000 0.237 3346 R C 0.727 177.046 176.300 0.031 0.000 1.137 3346 R CA 1.291 57.426 56.100 0.059 0.000 0.951 3346 R CB 0.060 30.436 30.300 0.127 0.000 0.851 3346 R HN 0.070 nan 8.270 nan 0.000 0.434 3347 D N 0.231 120.658 120.400 0.045 0.000 2.224 3347 D HA -0.029 4.611 4.640 0.000 0.000 0.205 3347 D C 0.136 176.460 176.300 0.040 0.000 0.965 3347 D CA 1.251 55.274 54.000 0.038 0.000 0.852 3347 D CB 0.242 41.065 40.800 0.039 0.000 0.947 3347 D HN 0.104 nan 8.370 nan 0.000 0.494 3348 K N 0.643 121.075 120.400 0.054 0.000 2.827 3348 K HA 0.279 4.599 4.320 0.000 0.000 0.186 3348 K C -2.746 173.920 176.600 0.109 0.000 1.093 3348 K CA -1.450 54.887 56.287 0.083 0.000 0.993 3348 K CB 2.388 34.943 32.500 0.091 0.000 1.199 3348 K HN -0.108 nan 8.250 nan 0.000 0.598 3349 P HA -0.059 nan 4.420 nan 0.000 0.265 3349 P C -0.073 177.356 177.300 0.215 0.000 1.187 3349 P CA -0.119 63.055 63.100 0.123 0.000 0.766 3349 P CB 0.450 32.193 31.700 0.071 0.000 0.820 3350 I N 3.735 124.425 120.570 0.202 0.000 2.598 3350 I HA -0.020 4.150 4.170 0.000 0.000 0.284 3350 I C -0.001 176.344 176.117 0.379 0.000 1.140 3350 I CA 0.368 61.784 61.300 0.194 0.000 1.420 3350 I CB -1.078 36.728 38.000 -0.324 0.000 1.387 3350 I HN 0.417 nan 8.210 nan 0.000 0.553 3351 Y N 6.533 126.941 120.300 0.181 0.000 2.359 3351 Y HA 0.217 4.767 4.550 0.000 0.000 0.336 3351 Y C 0.318 176.151 175.900 -0.112 0.000 1.098 3351 Y CA -1.332 56.783 58.100 0.025 0.000 1.272 3351 Y CB 0.876 39.294 38.460 -0.070 0.000 1.112 3351 Y HN 0.709 nan 8.280 nan 0.000 0.481 3352 T N 2.356 116.819 114.554 -0.151 0.000 2.903 3352 T HA 0.377 4.727 4.350 0.000 0.000 0.314 3352 T C 0.849 175.219 174.700 -0.551 0.000 1.078 3352 T CA 0.599 62.579 62.100 -0.201 0.000 1.114 3352 T CB 0.829 69.653 68.868 -0.073 0.000 0.987 3352 T HN 0.945 nan 8.240 nan 0.000 0.548 3353 L N -1.106 119.882 121.223 -0.393 0.000 3.294 3353 L HA -0.181 4.159 4.340 0.000 0.000 0.437 3353 L C 1.616 178.252 176.870 -0.390 0.000 0.749 3353 L CA 1.225 55.831 54.840 -0.391 0.000 2.510 3353 L CB -1.496 40.256 42.059 -0.512 0.000 1.159 3353 L HN 0.834 nan 8.230 nan 0.000 0.602 3354 Q N 0.371 119.860 119.800 -0.519 0.000 2.391 3354 Q HA 0.069 4.409 4.340 0.000 0.000 0.243 3354 Q C -0.191 175.564 176.000 -0.408 0.000 0.874 3354 Q CA 0.854 56.358 55.803 -0.498 0.000 0.950 3354 Q CB 0.903 29.228 28.738 -0.689 0.000 1.103 3354 Q HN 0.636 nan 8.270 nan 0.000 0.544 3355 Y N -2.324 117.947 120.300 -0.048 0.000 2.988 3355 Y HA 0.546 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 -0.933 57.148 58.100 -0.031 0.000 1.146 3355 Y CB -0.426 38.028 38.460 -0.011 0.000 1.178 3355 Y HN 0.157 nan 8.280 nan 0.000 0.584 3356 G N 1.768 110.642 108.800 0.122 0.000 2.907 3356 G HA2 -0.275 3.685 3.960 0.000 0.000 0.242 3356 G HA3 -0.275 3.685 3.960 0.000 0.000 0.242 3356 G C -0.333 174.623 174.900 0.094 0.000 1.448 3356 G CA -0.251 44.892 45.100 0.073 0.000 0.911 3356 G HN 0.653 nan 8.290 nan 0.000 0.553 3357 N N -0.861 117.868 118.700 0.047 0.000 2.454 3357 N HA 0.328 5.068 4.740 0.000 0.000 0.254 3357 N C 0.243 175.798 175.510 0.075 0.000 1.228 3357 N CA 0.264 53.344 53.050 0.050 0.000 0.900 3357 N CB 1.395 39.893 38.487 0.018 0.000 1.089 3357 N HN 0.584 nan 8.380 nan 0.000 0.449 3358 V N -0.237 119.747 119.914 0.117 0.000 2.864 3358 V HA 0.826 4.946 4.120 0.000 0.000 0.314 3358 V C 0.600 176.856 176.094 0.271 0.000 1.073 3358 V CA -0.870 61.510 62.300 0.133 0.000 0.956 3358 V CB 2.121 33.982 31.823 0.064 0.000 1.023 3358 V HN 0.811 nan 8.190 nan 0.000 0.435 3359 G N 0.814 109.759 108.800 0.241 0.000 2.612 3359 G HA2 0.651 4.611 3.960 0.000 0.000 0.298 3359 G HA3 0.651 4.611 3.960 0.000 0.000 0.298 3359 G C -1.953 173.099 174.900 0.254 0.000 1.336 3359 G CA -0.587 44.630 45.100 0.195 0.000 0.953 3359 G HN 0.479 nan 8.290 nan 0.000 0.482 3360 F N 1.925 121.874 119.950 -0.001 0.000 2.408 3360 F HA 0.655 5.182 4.527 0.000 0.000 0.344 3360 F C -0.242 175.543 175.800 -0.026 0.000 1.112 3360 F CA -0.471 57.560 58.000 0.052 0.000 1.096 3360 F CB 1.676 40.654 39.000 -0.037 0.000 1.129 3360 F HN 0.281 nan 8.300 nan 0.000 0.486 3361 V N 6.449 126.071 119.914 -0.488 0.000 2.555 3361 V HA 0.599 4.719 4.120 0.000 0.000 0.302 3361 V C -0.871 174.999 176.094 -0.373 0.000 1.038 3361 V CA -0.867 61.267 62.300 -0.278 0.000 0.887 3361 V CB 1.678 33.419 31.823 -0.136 0.000 0.991 3361 V HN 0.574 nan 8.190 nan 0.000 0.434 3362 V N 3.746 123.544 119.914 -0.193 0.000 2.525 3362 V HA 0.468 4.588 4.120 0.000 0.000 0.299 3362 V C -0.413 175.480 176.094 -0.335 0.000 1.034 3362 V CA -0.654 61.460 62.300 -0.310 0.000 0.863 3362 V CB 2.020 33.664 31.823 -0.298 0.000 0.999 3362 V HN 0.886 nan 8.190 nan 0.000 0.423 3363 N N 6.717 125.079 118.700 -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 -1.644 51.045 53.050 -0.601 0.000 0.931 3363 N CB 2.546 40.333 38.487 -1.166 0.000 1.122 3363 N HN 0.343 nan 8.380 nan 0.000 0.508 3364 P HA 0.148 nan 4.420 nan 0.000 0.279 3364 P C 0.162 177.390 177.300 -0.120 0.000 1.239 3364 P CA -0.181 62.790 63.100 -0.215 0.000 0.789 3364 P CB 1.997 33.567 31.700 -0.218 0.000 0.933 3365 K N 1.644 122.014 120.400 -0.051 0.000 2.211 3365 K HA 0.084 4.404 4.320 0.000 0.000 0.201 3365 K C -0.113 176.481 176.600 -0.010 0.000 1.052 3365 K CA 0.897 57.163 56.287 -0.034 0.000 0.973 3365 K CB 0.331 32.820 32.500 -0.019 0.000 0.766 3365 K HN 0.428 nan 8.250 nan 0.000 0.466 3366 T N 0.581 115.149 114.554 0.024 0.000 2.916 3366 T HA 0.409 4.759 4.350 0.000 0.000 0.298 3366 T C -1.538 173.190 174.700 0.046 0.000 1.031 3366 T CA -0.706 61.400 62.100 0.009 0.000 0.993 3366 T CB 2.345 71.201 68.868 -0.021 0.000 1.045 3366 T HN -0.191 nan 8.240 nan 0.000 0.454 3367 V N 4.118 124.039 119.914 0.012 0.000 2.419 3367 V HA 0.412 4.532 4.120 0.000 0.000 0.287 3367 V C -0.355 175.718 176.094 -0.035 0.000 1.017 3367 V CA -1.112 61.203 62.300 0.024 0.000 0.844 3367 V CB 1.508 33.338 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 0.026 175.492 175.510 -0.072 0.000 1.254 3368 N CA -0.492 52.504 53.050 -0.091 0.000 0.958 3368 N CB 0.749 39.153 38.487 -0.139 0.000 1.208 3368 N HN 0.779 nan 8.380 nan 0.000 0.532 3369 Q N 0.574 120.336 119.800 -0.063 0.000 2.337 3369 Q HA -0.014 4.326 4.340 0.000 0.000 0.270 3369 Q C -0.504 175.464 176.000 -0.054 0.000 1.002 3369 Q CA 0.120 55.894 55.803 -0.047 0.000 0.888 3369 Q CB 0.163 28.879 28.738 -0.037 0.000 1.222 3369 Q HN 0.436 nan 8.270 nan 0.000 0.400 3370 N N 0.342 119.018 118.700 -0.040 0.000 2.776 3370 N HA -0.185 4.555 4.740 0.000 0.000 0.249 3370 N C -1.246 174.234 175.510 -0.050 0.000 1.111 3370 N CA 0.955 53.983 53.050 -0.036 0.000 0.711 3370 N CB -1.660 36.808 38.487 -0.032 0.000 1.065 3370 N HN 0.638 nan 8.380 nan 0.000 0.556 3371 A N 0.810 123.600 122.820 -0.051 0.000 2.371 3371 A HA 0.668 4.988 4.320 0.000 0.000 0.257 3371 A C 0.873 178.445 177.584 -0.019 0.000 1.089 3371 A CA 0.187 52.207 52.037 -0.027 0.000 0.794 3371 A CB 0.625 19.648 19.000 0.039 0.000 1.029 3371 A HN 0.463 nan 8.150 nan 0.000 0.488 3372 R N 0.786 121.303 120.500 0.028 0.000 2.690 3372 R HA 0.606 4.946 4.340 0.000 0.000 0.269 3372 R C -2.131 174.197 176.300 0.047 0.000 1.037 3372 R CA -0.928 55.165 56.100 -0.012 0.000 0.877 3372 R CB 0.869 31.186 30.300 0.028 0.000 1.255 3372 R HN 0.455 nan 8.270 nan 0.000 0.467 3373 L N 2.620 123.850 121.223 0.013 0.000 2.296 3373 L HA 0.478 4.818 4.340 0.000 0.000 0.286 3373 L C -0.647 176.292 176.870 0.116 0.000 1.023 3373 L CA -1.032 53.848 54.840 0.066 0.000 0.812 3373 L CB 1.658 43.754 42.059 0.063 0.000 1.223 3373 L HN 0.445 nan 8.230 nan 0.000 0.421 3374 L N 4.832 126.141 121.223 0.144 0.000 2.257 3374 L HA 0.421 4.761 4.340 0.000 0.000 0.290 3374 L C -0.200 176.741 176.870 0.118 0.000 1.044 3374 L CA -0.317 54.642 54.840 0.198 0.000 0.810 3374 L CB 1.114 43.368 42.059 0.325 0.000 1.193 3374 L HN 0.487 nan 8.230 nan 0.000 0.425 3375 M N 2.853 122.443 119.600 -0.016 0.000 2.209 3375 M HA 0.456 4.936 4.480 0.000 0.000 0.355 3375 M C 0.333 176.342 176.300 -0.486 0.000 1.171 3375 M CA -0.338 54.773 55.300 -0.315 0.000 1.069 3375 M CB 1.351 33.712 32.600 -0.398 0.000 1.622 3375 M HN 0.559 nan 8.290 nan 0.000 0.459 3376 G N 3.521 111.907 108.800 -0.690 0.000 2.544 3376 G HA2 0.680 4.640 3.960 0.000 0.000 0.313 3376 G HA3 0.680 4.640 3.960 0.000 0.000 0.313 3376 G C -1.781 172.742 174.900 -0.628 0.000 1.316 3376 G CA -0.250 44.244 45.100 -1.010 0.000 0.944 3376 G HN 0.597 nan 8.290 nan 0.000 0.489 3377 Y N 0.232 120.585 120.300 0.089 0.000 2.485 3377 Y HA 0.579 5.129 4.550 0.000 0.000 0.345 3377 Y C 0.295 176.452 175.900 0.427 0.000 0.998 3377 Y CA -0.935 57.403 58.100 0.396 0.000 1.059 3377 Y CB 2.809 41.628 38.460 0.598 0.000 1.234 3377 Y HN 0.488 nan 8.280 nan 0.000 0.461 3378 E N 2.744 123.279 120.200 0.557 0.000 2.191 3378 E HA 0.424 4.774 4.350 0.000 0.000 0.263 3378 E C -1.872 174.889 176.600 0.270 0.000 0.881 3378 E CA -0.673 55.892 56.400 0.276 0.000 0.757 3378 E CB 1.262 31.150 29.700 0.314 0.000 1.147 3378 E HN 0.585 nan 8.360 nan 0.000 0.414 3379 Y N 1.738 122.042 120.300 0.006 0.000 2.670 3379 Y HA 0.570 5.120 4.550 0.000 0.000 0.334 3379 Y C -1.885 173.971 175.900 -0.073 0.000 1.185 3379 Y CA -1.467 56.539 58.100 -0.156 0.000 1.053 3379 Y CB 1.015 39.231 38.460 -0.406 0.000 1.298 3379 Y HN 0.285 nan 8.280 nan 0.000 0.459 3380 F N 0.814 120.864 119.950 0.168 0.000 2.480 3380 F HA 0.708 5.235 4.527 0.000 0.000 0.329 3380 F C 0.224 176.086 175.800 0.105 0.000 1.091 3380 F CA -0.911 57.135 58.000 0.076 0.000 0.972 3380 F CB 2.517 41.508 39.000 -0.016 0.000 1.150 3380 F HN 0.740 nan 8.300 nan 0.000 0.467 3381 T N 1.048 115.754 114.554 0.253 0.000 2.889 3381 T HA 0.292 4.642 4.350 0.000 0.000 0.315 3381 T C -1.040 173.710 174.700 0.083 0.000 1.291 3381 T CA -0.515 61.685 62.100 0.167 0.000 1.028 3381 T CB 1.556 70.506 68.868 0.137 0.000 1.235 3381 T HN 0.484 nan 8.240 nan 0.000 0.491 3382 S N 2.132 117.878 115.700 0.077 0.000 2.565 3382 S HA 0.384 4.854 4.470 0.000 0.000 0.276 3382 S C 0.367 174.985 174.600 0.029 0.000 1.326 3382 S CA -0.586 57.635 58.200 0.034 0.000 1.045 3382 S CB 0.616 63.838 63.200 0.036 0.000 0.918 3382 S HN 0.660 nan 8.310 nan 0.000 0.505 3383 R N 1.223 121.726 120.500 0.005 0.000 2.726 3383 R HA 0.467 4.807 4.340 0.000 0.000 0.272 3383 R C 0.638 176.951 176.300 0.021 0.000 1.097 3383 R CA 0.833 56.934 56.100 0.002 0.000 1.198 3383 R CB -0.370 29.931 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