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 1cli_1_D DATA FIRST_RESID 3021 DATA SEQUENCE ALVGRIKGVV KKTRRPEVMG GLGGFGALCA LPQKYREPVL VSGTDGVGTK DATA SEQUENCE LRLAMDLKRH DTIGIDLVAM CVNDLVVQGA EPLFFLDYYA TGKLDVDTAS DATA SEQUENCE AVISGIAEGC LQSGCSLVGG ETAEMPGMYH GEDYDVAGFC VGVVEKSEII DATA SEQUENCE DGSKVSDGDV LIALGSSGPH SNGYSLVRKI LEVSGCDPQT TELDGKPLAD DATA SEQUENCE HLLAPTRIYV KSVLELIEKV DVHAIAHLTG GGFWENIPRV LPDNTQAVID DATA SEQUENCE ESSWQWPEVF NWLQTAGNVE HHEMYRTFNC GVGMIIALPA PEVDKALALL DATA SEQUENCE NANGENAWKI GIIKASDSEQ RVVIE 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 3021 A HA 0.000 nan 4.320 nan 0.000 0.244 3021 A C 0.000 177.545 177.584 -0.065 0.000 1.274 3021 A CA 0.000 52.004 52.037 -0.055 0.000 0.836 3021 A CB 0.000 18.965 19.000 -0.059 0.000 0.831 3022 L N -0.406 120.766 121.223 -0.084 0.000 2.607 3022 L HA 0.507 4.847 4.340 -0.000 0.000 0.228 3022 L C 1.583 178.402 176.870 -0.085 0.000 1.123 3022 L CA 0.847 55.629 54.840 -0.097 0.000 0.890 3022 L CB 0.687 42.660 42.059 -0.144 0.000 1.103 3022 L HN 0.309 nan 8.230 nan 0.000 0.468 3023 V N 1.350 121.223 119.914 -0.069 0.000 2.568 3023 V HA -0.144 3.975 4.120 -0.000 0.000 0.253 3023 V C 2.197 178.263 176.094 -0.047 0.000 1.072 3023 V CA 2.270 64.538 62.300 -0.054 0.000 1.084 3023 V CB -0.419 31.378 31.823 -0.045 0.000 0.676 3023 V HN 0.647 nan 8.190 nan 0.000 0.469 3024 G N -1.150 107.622 108.800 -0.047 0.000 2.683 3024 G HA2 -0.063 3.896 3.960 -0.000 0.000 0.213 3024 G HA3 -0.063 3.896 3.960 -0.000 0.000 0.213 3024 G C 1.620 176.495 174.900 -0.042 0.000 1.142 3024 G CA -0.018 45.059 45.100 -0.040 0.000 0.793 3024 G HN 0.385 nan 8.290 nan 0.000 0.534 3025 R N 0.303 120.772 120.500 -0.052 0.000 2.200 3025 R HA 0.136 4.475 4.340 -0.000 0.000 0.208 3025 R C 2.077 178.345 176.300 -0.055 0.000 1.033 3025 R CA 0.712 56.779 56.100 -0.054 0.000 1.000 3025 R CB -0.123 30.137 30.300 -0.068 0.000 0.906 3025 R HN 0.691 nan 8.270 nan 0.000 0.462 3026 I N -3.361 117.175 120.570 -0.056 0.000 4.154 3026 I HA 0.251 4.421 4.170 -0.000 0.000 0.334 3026 I C 1.613 177.710 176.117 -0.034 0.000 1.371 3026 I CA -0.151 61.119 61.300 -0.050 0.000 1.110 3026 I CB 0.339 38.301 38.000 -0.064 0.000 1.085 3026 I HN -0.247 nan 8.210 nan 0.000 0.398 3027 K N 2.046 122.427 120.400 -0.031 0.000 2.209 3027 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 3027 K C 1.990 178.579 176.600 -0.018 0.000 1.048 3027 K CA 1.730 58.004 56.287 -0.022 0.000 0.940 3027 K CB -0.231 32.255 32.500 -0.023 0.000 0.729 3027 K HN 0.548 nan 8.250 nan 0.000 0.451 3028 G N -0.047 108.741 108.800 -0.021 0.000 2.396 3028 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 3028 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 3028 G C 1.347 176.237 174.900 -0.016 0.000 1.166 3028 G CA 0.731 45.820 45.100 -0.018 0.000 0.793 3028 G HN 0.283 nan 8.290 nan 0.000 0.533 3029 V N -0.960 118.943 119.914 -0.019 0.000 3.141 3029 V HA 0.017 4.136 4.120 -0.000 0.000 0.265 3029 V C 2.343 178.432 176.094 -0.008 0.000 1.126 3029 V CA 1.285 63.574 62.300 -0.017 0.000 1.141 3029 V CB -0.224 31.585 31.823 -0.024 0.000 0.743 3029 V HN 0.122 nan 8.190 nan 0.000 0.492 3030 V N 0.153 120.064 119.914 -0.004 0.000 2.374 3030 V HA -0.034 4.086 4.120 -0.000 0.000 0.241 3030 V C 2.659 178.758 176.094 0.009 0.000 1.034 3030 V CA 1.878 64.183 62.300 0.010 0.000 1.037 3030 V CB -0.588 31.243 31.823 0.013 0.000 0.682 3030 V HN 0.417 nan 8.190 nan 0.000 0.463 3031 K N 1.084 121.485 120.400 0.002 0.000 2.152 3031 K HA -0.234 4.086 4.320 -0.000 0.000 0.206 3031 K C 2.101 178.702 176.600 0.002 0.000 1.048 3031 K CA 1.793 58.081 56.287 0.002 0.000 0.933 3031 K CB -0.213 32.285 32.500 -0.003 0.000 0.721 3031 K HN 0.620 nan 8.250 nan 0.000 0.447 3032 K N 0.475 120.875 120.400 -0.001 0.000 2.217 3032 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 3032 K C 1.728 178.328 176.600 -0.000 0.000 1.051 3032 K CA 1.717 58.002 56.287 -0.003 0.000 0.952 3032 K CB -0.285 32.210 32.500 -0.008 0.000 0.736 3032 K HN 0.048 nan 8.250 nan 0.000 0.453 3033 T N -1.095 113.462 114.554 0.004 0.000 3.148 3033 T HA 0.003 4.352 4.350 -0.000 0.000 0.253 3033 T C 0.741 175.453 174.700 0.020 0.000 1.134 3033 T CA -0.458 61.647 62.100 0.008 0.000 1.051 3033 T CB -0.206 68.668 68.868 0.011 0.000 0.959 3033 T HN 0.237 nan 8.240 nan 0.000 0.525 3034 R N 1.551 122.062 120.500 0.019 0.000 2.522 3034 R HA 0.178 4.518 4.340 -0.000 0.000 0.284 3034 R C -0.187 176.127 176.300 0.024 0.000 1.032 3034 R CA -0.145 55.969 56.100 0.023 0.000 1.049 3034 R CB 0.411 30.719 30.300 0.015 0.000 0.956 3034 R HN 0.368 nan 8.270 nan 0.000 0.422 3035 R N 4.267 124.788 120.500 0.035 0.000 2.674 3035 R HA 0.229 4.569 4.340 -0.000 0.000 0.266 3035 R C -1.714 174.605 176.300 0.032 0.000 1.016 3035 R CA -2.040 54.082 56.100 0.036 0.000 1.062 3035 R CB 0.971 31.304 30.300 0.055 0.000 1.142 3035 R HN 0.514 nan 8.270 nan 0.000 0.517 3036 P HA -0.113 nan 4.420 nan 0.000 0.225 3036 P C 0.103 177.421 177.300 0.030 0.000 1.148 3036 P CA 1.107 64.221 63.100 0.024 0.000 0.779 3036 P CB 0.348 32.060 31.700 0.022 0.000 0.780 3037 E N -1.106 119.120 120.200 0.043 0.000 2.216 3037 E HA -0.022 4.327 4.350 -0.000 0.000 0.192 3037 E C 0.343 176.965 176.600 0.036 0.000 0.988 3037 E CA 0.292 56.722 56.400 0.050 0.000 0.834 3037 E CB -0.410 29.337 29.700 0.079 0.000 0.772 3037 E HN 0.023 nan 8.360 nan 0.000 0.479 3038 V N 2.536 122.467 119.914 0.029 0.000 2.446 3038 V HA 0.031 4.151 4.120 -0.000 0.000 0.276 3038 V C 0.173 176.264 176.094 -0.004 0.000 1.030 3038 V CA 0.422 62.724 62.300 0.003 0.000 1.033 3038 V CB 0.016 31.841 31.823 0.004 0.000 0.993 3038 V HN 0.179 nan 8.190 nan 0.000 0.477 3039 M N 4.244 123.835 119.600 -0.015 0.000 2.423 3039 M HA 0.764 5.244 4.480 -0.000 0.000 0.335 3039 M C 0.749 177.038 176.300 -0.018 0.000 1.177 3039 M CA 0.432 55.725 55.300 -0.012 0.000 1.038 3039 M CB 1.838 34.432 32.600 -0.009 0.000 1.641 3039 M HN 0.904 nan 8.290 nan 0.000 0.455 3040 G N 0.884 109.677 108.800 -0.012 0.000 2.428 3040 G HA2 0.178 4.138 3.960 -0.000 0.000 0.202 3040 G HA3 0.178 4.138 3.960 -0.000 0.000 0.202 3040 G C -0.523 174.372 174.900 -0.009 0.000 1.247 3040 G CA -0.522 44.571 45.100 -0.011 0.000 1.020 3040 G HN 1.073 nan 8.290 nan 0.000 0.529 3041 G N -1.514 107.281 108.800 -0.009 0.000 3.359 3041 G HA2 0.661 4.621 3.960 -0.000 0.000 0.187 3041 G HA3 0.661 4.621 3.960 -0.000 0.000 0.187 3041 G C 1.756 176.653 174.900 -0.006 0.000 1.294 3041 G CA 0.528 45.623 45.100 -0.008 0.000 0.769 3041 G HN 1.885 nan 8.290 nan 0.000 0.733 3042 L N -0.525 120.693 121.223 -0.007 0.000 2.211 3042 L HA 0.148 4.488 4.340 -0.000 0.000 0.216 3042 L C 1.552 178.426 176.870 0.005 0.000 1.092 3042 L CA 1.818 56.654 54.840 -0.005 0.000 0.767 3042 L CB -1.000 41.051 42.059 -0.013 0.000 0.894 3042 L HN 1.432 nan 8.230 nan 0.000 0.437 3043 G N -0.024 108.782 108.800 0.010 0.000 2.289 3043 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.280 3043 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.280 3043 G C 0.268 175.205 174.900 0.062 0.000 1.089 3043 G CA -0.047 45.068 45.100 0.025 0.000 0.939 3043 G HN 0.992 nan 8.290 nan 0.000 0.499 3044 G N -0.559 108.279 108.800 0.064 0.000 2.800 3044 G HA2 0.649 4.609 3.960 -0.000 0.000 0.340 3044 G HA3 0.649 4.609 3.960 -0.000 0.000 0.340 3044 G C 0.104 175.142 174.900 0.229 0.000 1.089 3044 G CA -0.772 44.385 45.100 0.095 0.000 1.144 3044 G HN 1.152 nan 8.290 nan 0.000 0.461 3045 F N 0.080 120.026 119.950 -0.007 0.000 2.444 3045 F HA -0.032 4.495 4.527 -0.000 0.000 0.447 3045 F C 0.855 176.648 175.800 -0.012 0.000 1.176 3045 F CA 0.804 58.801 58.000 -0.005 0.000 1.427 3045 F CB -1.156 37.842 39.000 -0.003 0.000 2.142 3045 F HN 1.542 nan 8.300 nan 0.000 0.763 3046 G N 0.717 109.568 108.800 0.085 0.000 2.607 3046 G HA2 0.523 4.483 3.960 -0.000 0.000 0.613 3046 G HA3 0.523 4.483 3.960 -0.000 0.000 0.613 3046 G C -0.223 174.670 174.900 -0.011 0.000 1.099 3046 G CA -0.235 44.878 45.100 0.021 0.000 1.280 3046 G HN 1.665 nan 8.290 nan 0.000 0.573 3047 A N 2.233 125.016 122.820 -0.061 0.000 2.388 3047 A HA 0.813 5.132 4.320 -0.000 0.000 0.257 3047 A C 0.544 178.024 177.584 -0.173 0.000 1.095 3047 A CA -0.083 51.880 52.037 -0.124 0.000 0.791 3047 A CB 0.543 19.426 19.000 -0.195 0.000 1.029 3047 A HN 1.151 nan 8.150 nan 0.000 0.489 3048 L N 1.658 122.796 121.223 -0.142 0.000 2.322 3048 L HA 0.563 4.902 4.340 -0.000 0.000 0.281 3048 L C -0.578 176.210 176.870 -0.137 0.000 1.014 3048 L CA -0.452 54.316 54.840 -0.119 0.000 0.815 3048 L CB 1.646 43.671 42.059 -0.056 0.000 1.247 3048 L HN 0.741 nan 8.230 nan 0.000 0.421 3049 C N 3.601 122.829 119.300 -0.121 0.000 2.789 3049 C HA 0.714 5.174 4.460 -0.000 0.000 0.367 3049 C C 0.496 175.514 174.990 0.047 0.000 1.062 3049 C CA -0.583 58.408 59.018 -0.045 0.000 1.297 3049 C CB 0.263 27.948 27.740 -0.092 0.000 1.794 3049 C HN 0.949 nan 8.230 nan 0.000 0.474 3050 A N 5.436 128.285 122.820 0.049 0.000 2.346 3050 A HA 0.630 4.950 4.320 -0.000 0.000 0.252 3050 A C -0.130 177.507 177.584 0.089 0.000 1.089 3050 A CA -0.134 51.939 52.037 0.060 0.000 0.797 3050 A CB 0.333 19.361 19.000 0.046 0.000 1.047 3050 A HN 0.947 nan 8.150 nan 0.000 0.494 3051 L N 0.941 122.214 121.223 0.084 0.000 2.418 3051 L HA 0.302 4.641 4.340 -0.000 0.000 0.265 3051 L C -2.037 174.911 176.870 0.131 0.000 1.143 3051 L CA -1.756 53.143 54.840 0.099 0.000 0.809 3051 L CB 0.543 42.648 42.059 0.077 0.000 1.124 3051 L HN 0.445 nan 8.230 nan 0.000 0.456 3052 P HA 0.026 nan 4.420 nan 0.000 0.268 3052 P C -0.046 177.358 177.300 0.172 0.000 1.204 3052 P CA -0.321 62.899 63.100 0.200 0.000 0.768 3052 P CB 0.518 32.407 31.700 0.314 0.000 0.842 3053 Q N 2.935 122.777 119.800 0.071 0.000 2.291 3053 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 3053 Q C 1.534 177.523 176.000 -0.018 0.000 0.976 3053 Q CA 1.509 57.332 55.803 0.034 0.000 0.875 3053 Q CB -0.348 28.398 28.738 0.012 0.000 0.927 3053 Q HN 0.634 nan 8.270 nan 0.000 0.450 3054 K N -0.899 119.428 120.400 -0.121 0.000 2.283 3054 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 3054 K C 0.003 176.418 176.600 -0.309 0.000 1.048 3054 K CA 0.454 56.587 56.287 -0.256 0.000 0.948 3054 K CB -0.230 32.039 32.500 -0.384 0.000 0.742 3054 K HN 0.011 nan 8.250 nan 0.000 0.458 3055 Y N 1.835 122.136 120.300 0.001 0.000 2.359 3055 Y HA 0.155 4.705 4.550 -0.000 0.000 0.334 3055 Y C 1.623 177.524 175.900 0.002 0.000 1.058 3055 Y CA -0.707 57.393 58.100 0.001 0.000 1.244 3055 Y CB 1.083 39.543 38.460 0.000 0.000 1.187 3055 Y HN -0.039 nan 8.280 nan 0.000 0.510 3056 R N 1.822 122.402 120.500 0.134 0.000 2.057 3056 R HA 0.006 4.346 4.340 -0.000 0.000 0.224 3056 R C -0.010 176.340 176.300 0.084 0.000 1.136 3056 R CA 1.037 57.185 56.100 0.079 0.000 0.968 3056 R CB 0.320 30.649 30.300 0.048 0.000 0.863 3056 R HN 0.804 nan 8.270 nan 0.000 0.433 3057 E N 1.598 121.856 120.200 0.096 0.000 3.108 3057 E HA 0.279 4.629 4.350 -0.000 0.000 0.228 3057 E C -2.502 174.131 176.600 0.055 0.000 1.176 3057 E CA -2.369 54.069 56.400 0.062 0.000 0.881 3057 E CB 1.258 30.983 29.700 0.041 0.000 1.354 3057 E HN 0.152 nan 8.360 nan 0.000 0.400 3058 P HA 0.000 nan 4.420 nan 0.000 0.268 3058 P C -0.500 176.739 177.300 -0.103 0.000 1.205 3058 P CA -0.104 62.943 63.100 -0.088 0.000 0.771 3058 P CB 1.411 33.041 31.700 -0.117 0.000 0.858 3059 V N 4.509 124.329 119.914 -0.157 0.000 2.531 3059 V HA 0.271 4.391 4.120 -0.000 0.000 0.301 3059 V C 0.456 176.461 176.094 -0.148 0.000 1.034 3059 V CA -0.833 61.401 62.300 -0.111 0.000 0.865 3059 V CB 1.771 33.551 31.823 -0.072 0.000 0.995 3059 V HN 0.373 nan 8.190 nan 0.000 0.424 3060 L N 4.971 126.127 121.223 -0.113 0.000 2.331 3060 L HA 0.532 4.872 4.340 -0.000 0.000 0.278 3060 L C -0.486 176.323 176.870 -0.101 0.000 1.106 3060 L CA -0.437 54.329 54.840 -0.123 0.000 0.824 3060 L CB 1.196 43.204 42.059 -0.085 0.000 1.142 3060 L HN 0.361 nan 8.230 nan 0.000 0.443 3061 V N 2.249 122.088 119.914 -0.125 0.000 2.409 3061 V HA 0.457 4.577 4.120 -0.000 0.000 0.291 3061 V C 0.085 176.119 176.094 -0.101 0.000 1.020 3061 V CA -0.439 61.807 62.300 -0.091 0.000 0.848 3061 V CB 1.578 33.349 31.823 -0.086 0.000 0.990 3061 V HN 0.919 nan 8.190 nan 0.000 0.430 3062 S N 3.093 118.765 115.700 -0.046 0.000 2.600 3062 S HA 1.010 5.479 4.470 -0.000 0.000 0.300 3062 S C -0.230 174.393 174.600 0.037 0.000 1.087 3062 S CA -0.283 57.908 58.200 -0.014 0.000 0.965 3062 S CB 2.368 65.618 63.200 0.084 0.000 1.089 3062 S HN 1.327 nan 8.310 nan 0.000 0.496 3063 G N 0.097 108.945 108.800 0.080 0.000 2.673 3063 G HA2 0.618 4.577 3.960 -0.000 0.000 0.292 3063 G HA3 0.618 4.577 3.960 -0.000 0.000 0.292 3063 G C -1.478 173.520 174.900 0.164 0.000 1.450 3063 G CA -0.643 44.517 45.100 0.100 0.000 0.837 3063 G HN 0.815 nan 8.290 nan 0.000 0.505 3064 T N 0.673 115.304 114.554 0.128 0.000 2.900 3064 T HA 0.784 5.134 4.350 -0.000 0.000 0.295 3064 T C -1.533 173.230 174.700 0.106 0.000 1.044 3064 T CA -0.519 61.654 62.100 0.121 0.000 0.995 3064 T CB 2.370 71.272 68.868 0.056 0.000 1.072 3064 T HN 0.566 nan 8.240 nan 0.000 0.473 3065 D N -0.595 119.877 120.400 0.121 0.000 2.683 3065 D HA 0.519 5.158 4.640 -0.000 0.000 0.246 3065 D C -0.690 175.693 176.300 0.137 0.000 1.238 3065 D CA -0.260 53.814 54.000 0.123 0.000 0.759 3065 D CB 2.213 43.097 40.800 0.141 0.000 1.349 3065 D HN 0.767 nan 8.370 nan 0.000 0.426 3066 G N -0.582 108.290 108.800 0.120 0.000 2.644 3066 G HA2 0.504 4.464 3.960 -0.000 0.000 0.307 3066 G HA3 0.504 4.464 3.960 -0.000 0.000 0.307 3066 G C 0.714 175.683 174.900 0.114 0.000 1.250 3066 G CA -0.355 44.818 45.100 0.122 0.000 0.996 3066 G HN 0.260 nan 8.290 nan 0.000 0.489 3067 V N 0.207 120.182 119.914 0.101 0.000 2.535 3067 V HA 0.375 4.495 4.120 -0.000 0.000 0.246 3067 V C 1.822 177.947 176.094 0.051 0.000 1.045 3067 V CA 1.848 64.192 62.300 0.074 0.000 1.058 3067 V CB -1.135 30.725 31.823 0.061 0.000 0.689 3067 V HN 1.748 nan 8.190 nan 0.000 0.461 3068 G N -0.084 108.744 108.800 0.046 0.000 2.548 3068 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.208 3068 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.208 3068 G C 0.373 175.287 174.900 0.024 0.000 1.308 3068 G CA -0.057 45.073 45.100 0.049 0.000 0.924 3068 G HN 0.103 nan 8.290 nan 0.000 0.540 3069 T N 0.406 114.997 114.554 0.063 0.000 3.077 3069 T HA -0.055 4.294 4.350 -0.000 0.000 0.269 3069 T C 2.082 176.796 174.700 0.024 0.000 1.146 3069 T CA 1.843 63.983 62.100 0.066 0.000 1.091 3069 T CB -0.162 68.779 68.868 0.120 0.000 0.892 3069 T HN 0.611 nan 8.240 nan 0.000 0.533 3070 K N 0.788 121.123 120.400 -0.108 0.000 2.288 3070 K HA 0.082 4.402 4.320 -0.000 0.000 0.201 3070 K C 1.964 178.439 176.600 -0.208 0.000 1.048 3070 K CA 0.551 56.595 56.287 -0.404 0.000 0.956 3070 K CB -0.174 31.846 32.500 -0.800 0.000 0.746 3070 K HN 0.334 nan 8.250 nan 0.000 0.461 3071 L N 0.750 121.899 121.223 -0.123 0.000 2.046 3071 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 3071 L C 2.463 179.272 176.870 -0.102 0.000 1.077 3071 L CA 1.289 56.058 54.840 -0.118 0.000 0.747 3071 L CB -0.328 41.624 42.059 -0.178 0.000 0.896 3071 L HN 0.195 nan 8.230 nan 0.000 0.432 3072 R N -0.384 120.076 120.500 -0.067 0.000 2.096 3072 R HA -0.175 4.164 4.340 -0.000 0.000 0.235 3072 R C 2.153 178.447 176.300 -0.010 0.000 1.127 3072 R CA 1.163 57.247 56.100 -0.026 0.000 0.968 3072 R CB -0.670 29.634 30.300 0.006 0.000 0.861 3072 R HN 0.239 nan 8.270 nan 0.000 0.440 3073 L N 1.028 122.241 121.223 -0.016 0.000 2.156 3073 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 3073 L C 2.231 179.070 176.870 -0.052 0.000 1.095 3073 L CA 1.463 56.300 54.840 -0.006 0.000 0.770 3073 L CB -0.393 41.681 42.059 0.026 0.000 0.914 3073 L HN 0.115 nan 8.230 nan 0.000 0.439 3074 A N -1.052 121.714 122.820 -0.089 0.000 2.014 3074 A HA -0.167 4.152 4.320 -0.000 0.000 0.218 3074 A C 2.230 179.688 177.584 -0.210 0.000 1.163 3074 A CA 1.723 53.669 52.037 -0.153 0.000 0.652 3074 A CB -0.513 18.425 19.000 -0.103 0.000 0.808 3074 A HN 0.503 nan 8.150 nan 0.000 0.449 3075 M N 0.124 119.703 119.600 -0.035 0.000 2.193 3075 M HA -0.053 4.427 4.480 -0.000 0.000 0.265 3075 M C 1.097 177.420 176.300 0.038 0.000 1.071 3075 M CA 1.860 57.215 55.300 0.090 0.000 1.140 3075 M CB -0.333 32.332 32.600 0.109 0.000 1.369 3075 M HN 0.323 nan 8.290 nan 0.000 0.423 3076 D N 0.211 120.619 120.400 0.012 0.000 2.123 3076 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 3076 D C 1.905 178.205 176.300 0.000 0.000 0.992 3076 D CA 1.587 55.597 54.000 0.016 0.000 0.833 3076 D CB -0.456 40.355 40.800 0.018 0.000 0.954 3076 D HN 0.415 nan 8.370 nan 0.000 0.455 3077 L N -0.299 120.905 121.223 -0.032 0.000 2.558 3077 L HA 0.124 4.464 4.340 -0.000 0.000 0.225 3077 L C 0.356 177.189 176.870 -0.063 0.000 1.128 3077 L CA 0.052 54.866 54.840 -0.044 0.000 0.868 3077 L CB -0.292 41.733 42.059 -0.057 0.000 1.006 3077 L HN -0.058 nan 8.230 nan 0.000 0.454 3078 K N 0.736 121.082 120.400 -0.091 0.000 3.125 3078 K HA -0.132 4.187 4.320 -0.000 0.000 0.268 3078 K C -0.416 176.066 176.600 -0.195 0.000 1.078 3078 K CA 0.353 56.592 56.287 -0.079 0.000 0.775 3078 K CB -1.074 31.449 32.500 0.038 0.000 1.253 3078 K HN 0.163 nan 8.250 nan 0.000 0.486 3079 R N 0.799 121.058 120.500 -0.402 0.000 2.371 3079 R HA 0.237 4.576 4.340 -0.000 0.000 0.312 3079 R C 0.326 176.387 176.300 -0.400 0.000 0.980 3079 R CA -0.461 55.472 56.100 -0.277 0.000 0.867 3079 R CB 0.640 30.852 30.300 -0.146 0.000 1.163 3079 R HN 0.278 nan 8.270 nan 0.000 0.492 3080 H N 0.122 119.229 119.070 0.061 0.000 3.046 3080 H HA 0.002 4.558 4.556 -0.000 0.000 0.262 3080 H C 0.524 175.880 175.328 0.047 0.000 1.044 3080 H CA 0.100 56.202 56.048 0.090 0.000 1.209 3080 H CB 1.088 30.920 29.762 0.117 0.000 1.507 3080 H HN 0.483 nan 8.280 nan 0.000 0.507 3081 D N 1.435 121.900 120.400 0.107 0.000 2.392 3081 D HA -0.092 4.547 4.640 -0.000 0.000 0.228 3081 D C 1.499 177.815 176.300 0.027 0.000 1.003 3081 D CA 1.148 55.180 54.000 0.053 0.000 0.917 3081 D CB -0.287 40.529 40.800 0.027 0.000 0.890 3081 D HN 0.407 nan 8.370 nan 0.000 0.532 3082 T N -3.244 111.326 114.554 0.028 0.000 2.959 3082 T HA 0.145 4.494 4.350 -0.000 0.000 0.254 3082 T C 1.702 176.412 174.700 0.017 0.000 1.003 3082 T CA -0.354 61.749 62.100 0.006 0.000 0.950 3082 T CB -0.428 68.433 68.868 -0.012 0.000 1.090 3082 T HN -0.030 nan 8.240 nan 0.000 0.503 3083 I N 3.142 123.745 120.570 0.055 0.000 2.530 3083 I HA 0.118 4.288 4.170 -0.000 0.000 0.257 3083 I C 2.371 178.538 176.117 0.082 0.000 1.179 3083 I CA 0.776 62.121 61.300 0.076 0.000 1.440 3083 I CB -0.598 37.502 38.000 0.166 0.000 1.087 3083 I HN 0.461 nan 8.210 nan 0.000 0.440 3084 G N -0.056 108.786 108.800 0.070 0.000 2.448 3084 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 3084 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 3084 G C 1.684 176.574 174.900 -0.016 0.000 1.135 3084 G CA 0.592 45.721 45.100 0.049 0.000 0.784 3084 G HN 0.442 nan 8.290 nan 0.000 0.543 3085 I N 0.849 121.400 120.570 -0.032 0.000 2.315 3085 I HA -0.097 4.072 4.170 -0.000 0.000 0.248 3085 I C 2.018 178.097 176.117 -0.063 0.000 1.117 3085 I CA 1.014 62.271 61.300 -0.072 0.000 1.404 3085 I CB -0.163 37.796 38.000 -0.068 0.000 1.071 3085 I HN 0.081 nan 8.210 nan 0.000 0.419 3086 D N 0.910 121.296 120.400 -0.024 0.000 2.219 3086 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 3086 D C 2.234 178.556 176.300 0.037 0.000 0.970 3086 D CA 0.961 54.960 54.000 -0.003 0.000 0.851 3086 D CB 0.200 41.005 40.800 0.010 0.000 0.943 3086 D HN 0.340 nan 8.370 nan 0.000 0.488 3087 L N 0.897 122.153 121.223 0.056 0.000 2.007 3087 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 3087 L C 2.460 179.405 176.870 0.125 0.000 1.073 3087 L CA 0.983 55.902 54.840 0.131 0.000 0.744 3087 L CB -0.221 41.951 42.059 0.188 0.000 0.898 3087 L HN -0.113 nan 8.230 nan 0.000 0.435 3088 V N 0.378 120.251 119.914 -0.069 0.000 2.343 3088 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 3088 V C 2.839 178.878 176.094 -0.091 0.000 1.051 3088 V CA 1.614 63.746 62.300 -0.280 0.000 1.036 3088 V CB -1.147 30.320 31.823 -0.593 0.000 0.654 3088 V HN 0.565 nan 8.190 nan 0.000 0.451 3089 A N -0.368 122.404 122.820 -0.080 0.000 1.940 3089 A HA -0.236 4.083 4.320 -0.000 0.000 0.219 3089 A C 2.247 179.850 177.584 0.031 0.000 1.176 3089 A CA 2.093 54.091 52.037 -0.065 0.000 0.631 3089 A CB -0.476 18.460 19.000 -0.107 0.000 0.814 3089 A HN 0.409 nan 8.150 nan 0.000 0.446 3090 M N -0.699 118.965 119.600 0.107 0.000 2.117 3090 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 3090 M C 2.378 178.782 176.300 0.174 0.000 1.065 3090 M CA 1.367 56.784 55.300 0.196 0.000 1.114 3090 M CB -1.627 31.079 32.600 0.176 0.000 1.361 3090 M HN 0.580 nan 8.290 nan 0.000 0.408 3091 C N -0.996 118.404 119.300 0.166 0.000 2.500 3091 C HA -0.020 4.440 4.460 -0.000 0.000 0.279 3091 C C 2.926 177.967 174.990 0.085 0.000 1.288 3091 C CA 0.212 59.328 59.018 0.164 0.000 1.710 3091 C CB -0.822 27.090 27.740 0.286 0.000 2.052 3091 C HN 0.332 nan 8.230 nan 0.000 0.488 3092 V N 2.097 122.041 119.914 0.051 0.000 2.427 3092 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 3092 V C 2.138 178.189 176.094 -0.070 0.000 1.051 3092 V CA 1.958 64.247 62.300 -0.018 0.000 1.048 3092 V CB -0.563 31.229 31.823 -0.053 0.000 0.666 3092 V HN 0.530 nan 8.190 nan 0.000 0.456 3093 N N 0.031 118.652 118.700 -0.131 0.000 2.270 3093 N HA -0.121 4.619 4.740 -0.000 0.000 0.181 3093 N C 1.493 176.843 175.510 -0.267 0.000 1.016 3093 N CA 1.287 54.156 53.050 -0.301 0.000 0.870 3093 N CB -0.355 37.692 38.487 -0.733 0.000 0.979 3093 N HN 0.440 nan 8.380 nan 0.000 0.431 3094 D N 0.425 120.761 120.400 -0.107 0.000 2.183 3094 D HA 0.004 4.644 4.640 -0.000 0.000 0.203 3094 D C 2.055 178.346 176.300 -0.016 0.000 0.969 3094 D CA 0.301 54.303 54.000 0.003 0.000 0.842 3094 D CB -0.008 40.847 40.800 0.091 0.000 0.957 3094 D HN 0.234 nan 8.370 nan 0.000 0.484 3095 L N 0.469 121.674 121.223 -0.031 0.000 2.027 3095 L HA -0.110 4.229 4.340 -0.000 0.000 0.206 3095 L C 2.497 179.341 176.870 -0.044 0.000 1.074 3095 L CA 0.811 55.627 54.840 -0.039 0.000 0.745 3095 L CB -0.645 41.382 42.059 -0.053 0.000 0.898 3095 L HN 0.019 nan 8.230 nan 0.000 0.433 3096 V N -3.922 115.962 119.914 -0.050 0.000 3.026 3096 V HA -0.125 3.994 4.120 -0.000 0.000 0.265 3096 V C 2.239 178.307 176.094 -0.043 0.000 1.121 3096 V CA 0.928 63.203 62.300 -0.042 0.000 1.142 3096 V CB -0.671 31.128 31.823 -0.040 0.000 0.730 3096 V HN 0.197 nan 8.190 nan 0.000 0.503 3097 V N 0.686 120.572 119.914 -0.046 0.000 2.490 3097 V HA -0.239 3.880 4.120 -0.000 0.000 0.250 3097 V C 2.482 178.560 176.094 -0.027 0.000 1.061 3097 V CA 2.480 64.757 62.300 -0.039 0.000 1.064 3097 V CB -0.630 31.179 31.823 -0.023 0.000 0.670 3097 V HN 0.666 nan 8.190 nan 0.000 0.461 3098 Q N -0.857 118.929 119.800 -0.023 0.000 2.220 3098 Q HA 0.355 4.694 4.340 -0.000 0.000 0.205 3098 Q C 1.347 177.339 176.000 -0.013 0.000 0.865 3098 Q CA 0.534 56.327 55.803 -0.016 0.000 0.960 3098 Q CB 0.915 29.642 28.738 -0.017 0.000 1.097 3098 Q HN 0.649 nan 8.270 nan 0.000 0.493 3099 G N 0.493 109.285 108.800 -0.013 0.000 2.136 3099 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.242 3099 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.242 3099 G C 0.145 175.049 174.900 0.006 0.000 0.989 3099 G CA 0.018 45.118 45.100 0.001 0.000 0.682 3099 G HN 0.502 nan 8.290 nan 0.000 0.522 3100 A N -0.038 122.771 122.820 -0.019 0.000 2.363 3100 A HA 0.635 4.954 4.320 -0.000 0.000 0.270 3100 A C 0.469 178.039 177.584 -0.024 0.000 1.121 3100 A CA 0.293 52.306 52.037 -0.039 0.000 0.800 3100 A CB 0.568 19.526 19.000 -0.071 0.000 1.052 3100 A HN 0.594 nan 8.150 nan 0.000 0.493 3101 E N 3.410 123.603 120.200 -0.010 0.000 2.081 3101 E HA 0.321 4.671 4.350 -0.000 0.000 0.281 3101 E C -2.559 174.019 176.600 -0.038 0.000 0.986 3101 E CA -2.072 54.338 56.400 0.017 0.000 0.796 3101 E CB 0.673 30.445 29.700 0.120 0.000 1.085 3101 E HN 0.314 nan 8.360 nan 0.000 0.398 3102 P HA -0.094 nan 4.420 nan 0.000 0.260 3102 P C -0.185 177.074 177.300 -0.069 0.000 1.185 3102 P CA 0.110 63.164 63.100 -0.077 0.000 0.763 3102 P CB 0.605 32.275 31.700 -0.050 0.000 0.776 3103 L N 5.903 127.037 121.223 -0.149 0.000 2.356 3103 L HA 0.384 4.724 4.340 -0.000 0.000 0.193 3103 L C 0.198 177.091 176.870 0.039 0.000 1.087 3103 L CA 1.388 56.178 54.840 -0.084 0.000 0.817 3103 L CB -0.263 41.700 42.059 -0.160 0.000 1.035 3103 L HN 0.318 nan 8.230 nan 0.000 0.482 3104 F N -2.575 117.349 119.950 -0.044 0.000 2.626 3104 F HA 0.588 5.115 4.527 -0.000 0.000 0.311 3104 F C -1.029 174.761 175.800 -0.018 0.000 1.088 3104 F CA -1.881 56.108 58.000 -0.020 0.000 0.949 3104 F CB 0.845 39.825 39.000 -0.034 0.000 1.322 3104 F HN -0.124 nan 8.300 nan 0.000 0.461 3105 F N 2.117 122.160 119.950 0.155 0.000 2.563 3105 F HA 0.858 5.385 4.527 -0.000 0.000 0.316 3105 F C -1.869 174.020 175.800 0.149 0.000 1.076 3105 F CA -1.080 56.952 58.000 0.054 0.000 0.921 3105 F CB 1.895 40.912 39.000 0.029 0.000 1.209 3105 F HN 0.535 nan 8.300 nan 0.000 0.462 3106 L N 4.243 125.287 121.223 -0.299 0.000 2.434 3106 L HA 0.456 4.795 4.340 -0.000 0.000 0.260 3106 L C -1.296 175.477 176.870 -0.161 0.000 0.983 3106 L CA -0.599 54.240 54.840 -0.002 0.000 0.820 3106 L CB 2.312 44.522 42.059 0.251 0.000 1.361 3106 L HN 0.656 nan 8.230 nan 0.000 0.410 3107 D N -0.036 120.417 120.400 0.090 0.000 2.523 3107 D HA 0.310 4.949 4.640 -0.000 0.000 0.236 3107 D C -1.577 174.854 176.300 0.219 0.000 1.094 3107 D CA -0.456 53.639 54.000 0.157 0.000 0.942 3107 D CB 2.657 43.634 40.800 0.294 0.000 1.447 3107 D HN 0.391 nan 8.370 nan 0.000 0.479 3108 Y N 1.067 121.427 120.300 0.100 0.000 2.363 3108 Y HA 0.368 4.918 4.550 -0.000 0.000 0.325 3108 Y C -1.975 174.009 175.900 0.139 0.000 0.984 3108 Y CA -1.137 57.018 58.100 0.092 0.000 1.248 3108 Y CB 1.053 39.535 38.460 0.037 0.000 1.116 3108 Y HN 0.419 nan 8.280 nan 0.000 0.470 3109 Y N 5.625 125.718 120.300 -0.344 0.000 2.385 3109 Y HA 0.732 5.282 4.550 -0.000 0.000 0.341 3109 Y C -0.698 174.892 175.900 -0.517 0.000 0.965 3109 Y CA -0.752 57.171 58.100 -0.295 0.000 1.180 3109 Y CB 0.556 38.896 38.460 -0.200 0.000 1.139 3109 Y HN 0.757 nan 8.280 nan 0.000 0.502 3110 A N 4.898 127.362 122.820 -0.594 0.000 2.304 3110 A HA 0.742 5.062 4.320 -0.000 0.000 0.323 3110 A C -0.364 176.664 177.584 -0.928 0.000 1.195 3110 A CA -0.268 51.405 52.037 -0.607 0.000 0.826 3110 A CB 1.316 20.144 19.000 -0.287 0.000 1.184 3110 A HN 0.699 nan 8.150 nan 0.000 0.496 3111 T N 0.399 114.492 114.554 -0.769 0.000 2.762 3111 T HA 0.584 4.934 4.350 -0.000 0.000 0.301 3111 T C 1.038 175.558 174.700 -0.301 0.000 1.299 3111 T CA 0.413 62.103 62.100 -0.683 0.000 1.005 3111 T CB 1.159 69.910 68.868 -0.194 0.000 1.377 3111 T HN 0.972 nan 8.240 nan 0.000 0.504 3112 G N 0.794 109.564 108.800 -0.050 0.000 2.508 3112 G HA2 0.252 4.211 3.960 -0.000 0.000 0.212 3112 G HA3 0.252 4.211 3.960 -0.000 0.000 0.212 3112 G C -0.105 174.813 174.900 0.030 0.000 1.206 3112 G CA 0.441 45.588 45.100 0.079 0.000 0.822 3112 G HN 0.548 nan 8.290 nan 0.000 0.550 3113 K N 0.794 121.208 120.400 0.025 0.000 2.394 3113 K HA 0.393 4.713 4.320 -0.000 0.000 0.260 3113 K C -0.686 175.923 176.600 0.014 0.000 0.967 3113 K CA -0.704 55.593 56.287 0.017 0.000 0.855 3113 K CB 1.195 33.708 32.500 0.022 0.000 1.101 3113 K HN 0.033 nan 8.250 nan 0.000 0.433 3114 L N 3.855 125.079 121.223 0.003 0.000 2.597 3114 L HA 0.096 4.436 4.340 -0.000 0.000 0.271 3114 L C -0.588 176.265 176.870 -0.028 0.000 1.157 3114 L CA 0.653 55.489 54.840 -0.007 0.000 0.928 3114 L CB 0.149 42.187 42.059 -0.035 0.000 1.216 3114 L HN 0.669 nan 8.230 nan 0.000 0.481 3115 D N 4.229 124.612 120.400 -0.029 0.000 2.441 3115 D HA 0.082 4.721 4.640 -0.000 0.000 0.221 3115 D C 1.342 177.582 176.300 -0.101 0.000 1.156 3115 D CA -0.349 53.621 54.000 -0.048 0.000 0.896 3115 D CB 1.007 41.787 40.800 -0.033 0.000 1.028 3115 D HN 0.414 nan 8.370 nan 0.000 0.509 3116 V N 3.314 123.169 119.914 -0.097 0.000 2.527 3116 V HA -0.296 3.823 4.120 -0.000 0.000 0.255 3116 V C 1.366 177.386 176.094 -0.123 0.000 1.081 3116 V CA 2.116 64.343 62.300 -0.121 0.000 1.092 3116 V CB -0.432 31.339 31.823 -0.087 0.000 0.673 3116 V HN 0.524 nan 8.190 nan 0.000 0.470 3117 D N -1.006 119.338 120.400 -0.094 0.000 2.183 3117 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 3117 D C 2.179 178.418 176.300 -0.101 0.000 0.962 3117 D CA 1.318 55.271 54.000 -0.078 0.000 0.849 3117 D CB -0.206 40.568 40.800 -0.043 0.000 0.978 3117 D HN 0.335 nan 8.370 nan 0.000 0.488 3118 T N -0.168 114.303 114.554 -0.139 0.000 2.978 3118 T HA 0.061 4.410 4.350 -0.000 0.000 0.262 3118 T C 1.997 176.517 174.700 -0.300 0.000 1.063 3118 T CA 0.877 62.845 62.100 -0.220 0.000 1.140 3118 T CB -0.061 68.640 68.868 -0.279 0.000 0.886 3118 T HN 0.160 nan 8.240 nan 0.000 0.470 3119 A N 1.081 123.693 122.820 -0.346 0.000 1.929 3119 A HA 0.011 4.330 4.320 -0.000 0.000 0.216 3119 A C 2.532 179.868 177.584 -0.414 0.000 1.176 3119 A CA 1.444 53.113 52.037 -0.613 0.000 0.628 3119 A CB -0.592 17.939 19.000 -0.781 0.000 0.816 3119 A HN 0.406 nan 8.150 nan 0.000 0.444 3120 S N -0.036 115.509 115.700 -0.257 0.000 2.383 3120 S HA 0.032 4.502 4.470 -0.000 0.000 0.227 3120 S C 2.293 176.824 174.600 -0.115 0.000 1.026 3120 S CA 0.976 59.075 58.200 -0.168 0.000 0.981 3120 S CB -0.366 62.762 63.200 -0.120 0.000 0.818 3120 S HN 0.761 nan 8.310 nan 0.000 0.472 3121 A N 1.288 124.050 122.820 -0.096 0.000 1.877 3121 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 3121 A C 2.328 179.902 177.584 -0.016 0.000 1.186 3121 A CA 1.603 53.622 52.037 -0.031 0.000 0.620 3121 A CB -0.964 18.049 19.000 0.021 0.000 0.822 3121 A HN 0.339 nan 8.150 nan 0.000 0.443 3122 V N 0.201 120.088 119.914 -0.044 0.000 2.343 3122 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 3122 V C 2.340 178.433 176.094 -0.001 0.000 1.051 3122 V CA 2.037 64.340 62.300 0.006 0.000 1.036 3122 V CB -0.665 31.154 31.823 -0.006 0.000 0.654 3122 V HN 0.577 nan 8.190 nan 0.000 0.451 3123 I N -0.540 119.994 120.570 -0.061 0.000 2.830 3123 I HA -0.132 4.038 4.170 -0.000 0.000 0.263 3123 I C 2.412 178.510 176.117 -0.031 0.000 1.230 3123 I CA 0.930 62.206 61.300 -0.041 0.000 1.480 3123 I CB -0.251 37.694 38.000 -0.092 0.000 1.095 3123 I HN 0.194 nan 8.210 nan 0.000 0.455 3124 S N 0.488 116.166 115.700 -0.037 0.000 2.425 3124 S HA 0.005 4.475 4.470 -0.000 0.000 0.225 3124 S C 2.073 176.656 174.600 -0.028 0.000 1.024 3124 S CA 1.077 59.258 58.200 -0.031 0.000 0.951 3124 S CB -0.119 63.063 63.200 -0.030 0.000 0.796 3124 S HN 0.589 nan 8.310 nan 0.000 0.498 3125 G N 1.207 109.996 108.800 -0.017 0.000 2.403 3125 G HA2 -0.046 3.913 3.960 -0.000 0.000 0.216 3125 G HA3 -0.046 3.913 3.960 -0.000 0.000 0.216 3125 G C 1.293 176.165 174.900 -0.047 0.000 1.154 3125 G CA 0.344 45.432 45.100 -0.020 0.000 0.784 3125 G HN 0.496 nan 8.290 nan 0.000 0.538 3126 I N 1.228 121.774 120.570 -0.040 0.000 2.315 3126 I HA -0.106 4.064 4.170 -0.000 0.000 0.248 3126 I C 3.209 179.246 176.117 -0.133 0.000 1.117 3126 I CA 0.861 62.103 61.300 -0.097 0.000 1.404 3126 I CB -0.116 37.882 38.000 -0.003 0.000 1.071 3126 I HN 0.234 nan 8.210 nan 0.000 0.419 3127 A N 0.369 123.148 122.820 -0.069 0.000 1.969 3127 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 3127 A C 2.193 179.733 177.584 -0.072 0.000 1.169 3127 A CA 1.687 53.689 52.037 -0.059 0.000 0.635 3127 A CB -0.408 18.573 19.000 -0.031 0.000 0.810 3127 A HN 0.356 nan 8.150 nan 0.000 0.445 3128 E N 0.282 120.439 120.200 -0.071 0.000 2.077 3128 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 3128 E C 1.982 178.526 176.600 -0.094 0.000 0.989 3128 E CA 1.618 57.977 56.400 -0.069 0.000 0.800 3128 E CB -0.808 28.857 29.700 -0.058 0.000 0.746 3128 E HN 0.390 nan 8.360 nan 0.000 0.452 3129 G N -0.462 108.260 108.800 -0.130 0.000 2.403 3129 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 3129 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 3129 G C 1.881 176.670 174.900 -0.185 0.000 1.154 3129 G CA 0.860 45.859 45.100 -0.168 0.000 0.784 3129 G HN 0.413 nan 8.290 nan 0.000 0.538 3130 C N 0.293 119.471 119.300 -0.203 0.000 2.425 3130 C HA 0.100 4.560 4.460 -0.000 0.000 0.277 3130 C C 2.875 177.812 174.990 -0.089 0.000 1.280 3130 C CA 0.331 59.251 59.018 -0.163 0.000 1.744 3130 C CB -0.985 26.679 27.740 -0.126 0.000 1.989 3130 C HN 0.420 nan 8.230 nan 0.000 0.491 3131 L N 0.160 121.338 121.223 -0.075 0.000 2.017 3131 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 3131 L C 2.823 179.661 176.870 -0.053 0.000 1.073 3131 L CA 1.582 56.391 54.840 -0.051 0.000 0.745 3131 L CB -0.776 41.256 42.059 -0.045 0.000 0.894 3131 L HN 0.453 nan 8.230 nan 0.000 0.432 3132 Q N -0.399 119.359 119.800 -0.069 0.000 2.084 3132 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 3132 Q C 2.357 178.318 176.000 -0.065 0.000 0.978 3132 Q CA 1.977 57.739 55.803 -0.069 0.000 0.844 3132 Q CB -0.125 28.560 28.738 -0.089 0.000 0.898 3132 Q HN 0.602 nan 8.270 nan 0.000 0.426 3133 S N -1.402 114.252 115.700 -0.077 0.000 2.470 3133 S HA 0.149 4.618 4.470 -0.000 0.000 0.225 3133 S C 1.442 176.018 174.600 -0.040 0.000 1.006 3133 S CA 0.486 58.647 58.200 -0.065 0.000 0.934 3133 S CB 0.547 63.696 63.200 -0.084 0.000 0.778 3133 S HN 0.517 nan 8.310 nan 0.000 0.517 3134 G N 0.793 109.573 108.800 -0.034 0.000 2.131 3134 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.223 3134 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.223 3134 G C 0.134 175.036 174.900 0.003 0.000 0.990 3134 G CA -0.162 44.931 45.100 -0.012 0.000 0.671 3134 G HN 1.327 nan 8.290 nan 0.000 0.521 3135 C N -0.489 118.811 119.300 -0.000 0.000 2.470 3135 C HA 0.930 5.390 4.460 -0.000 0.000 0.341 3135 C C 0.717 175.744 174.990 0.063 0.000 1.190 3135 C CA -0.663 58.378 59.018 0.037 0.000 1.904 3135 C CB 1.656 29.417 27.740 0.034 0.000 2.354 3135 C HN 0.553 nan 8.230 nan 0.000 0.509 3136 S N 1.206 116.978 115.700 0.120 0.000 2.525 3136 S HA 0.492 4.962 4.470 -0.000 0.000 0.278 3136 S C -0.388 174.317 174.600 0.174 0.000 1.234 3136 S CA -0.336 57.936 58.200 0.119 0.000 1.058 3136 S CB 1.062 64.326 63.200 0.106 0.000 0.983 3136 S HN 0.786 nan 8.310 nan 0.000 0.495 3137 L N 5.833 127.140 121.223 0.140 0.000 2.363 3137 L HA 0.283 4.623 4.340 -0.000 0.000 0.286 3137 L C 0.712 177.662 176.870 0.133 0.000 1.106 3137 L CA 0.161 55.118 54.840 0.195 0.000 0.859 3137 L CB 0.251 42.401 42.059 0.151 0.000 1.223 3137 L HN 0.588 nan 8.230 nan 0.000 0.446 3138 V N 2.155 122.147 119.914 0.130 0.000 3.650 3138 V HA 0.678 4.798 4.120 -0.000 0.000 0.271 3138 V C 0.760 176.875 176.094 0.034 0.000 1.281 3138 V CA 0.645 62.966 62.300 0.035 0.000 1.120 3138 V CB -0.458 31.312 31.823 -0.087 0.000 0.856 3138 V HN 0.739 nan 8.190 nan 0.000 0.443 3139 G N -1.649 107.204 108.800 0.088 0.000 2.682 3139 G HA2 0.747 4.707 3.960 -0.000 0.000 0.290 3139 G HA3 0.747 4.707 3.960 -0.000 0.000 0.290 3139 G C -0.716 174.253 174.900 0.115 0.000 1.425 3139 G CA -0.243 44.911 45.100 0.089 0.000 0.807 3139 G HN 0.947 nan 8.290 nan 0.000 0.482 3140 G N -1.350 107.515 108.800 0.108 0.000 2.506 3140 G HA2 0.591 4.551 3.960 -0.000 0.000 0.292 3140 G HA3 0.591 4.551 3.960 -0.000 0.000 0.292 3140 G C -2.086 172.878 174.900 0.106 0.000 1.425 3140 G CA -0.326 44.839 45.100 0.108 0.000 0.788 3140 G HN 0.582 nan 8.290 nan 0.000 0.490 3141 E N -0.030 120.224 120.200 0.090 0.000 2.522 3141 E HA 0.335 4.684 4.350 -0.000 0.000 0.315 3141 E C -1.372 175.197 176.600 -0.052 0.000 0.917 3141 E CA -0.355 56.089 56.400 0.073 0.000 0.796 3141 E CB 1.652 31.456 29.700 0.172 0.000 1.323 3141 E HN 0.426 nan 8.360 nan 0.000 0.397 3142 T N 1.746 116.270 114.554 -0.051 0.000 2.853 3142 T HA 0.591 4.941 4.350 -0.000 0.000 0.317 3142 T C -0.113 174.537 174.700 -0.084 0.000 1.059 3142 T CA -0.463 61.588 62.100 -0.082 0.000 0.954 3142 T CB 0.913 69.726 68.868 -0.091 0.000 0.994 3142 T HN 0.399 nan 8.240 nan 0.000 0.479 3143 A N 3.549 126.261 122.820 -0.180 0.000 2.249 3143 A HA 0.514 4.834 4.320 -0.000 0.000 0.314 3143 A C 0.125 177.669 177.584 -0.067 0.000 1.290 3143 A CA -0.779 51.205 52.037 -0.089 0.000 0.893 3143 A CB 0.393 19.362 19.000 -0.051 0.000 1.165 3143 A HN 0.776 nan 8.150 nan 0.000 0.530 3144 E N 2.120 122.313 120.200 -0.011 0.000 2.089 3144 E HA 0.283 4.633 4.350 -0.000 0.000 0.284 3144 E C -1.070 175.563 176.600 0.055 0.000 1.023 3144 E CA -0.223 56.178 56.400 0.002 0.000 0.819 3144 E CB 0.994 30.698 29.700 0.006 0.000 1.076 3144 E HN 0.575 nan 8.360 nan 0.000 0.396 3145 M N 5.453 125.123 119.600 0.117 0.000 2.152 3145 M HA 0.237 4.717 4.480 -0.000 0.000 0.354 3145 M C -2.116 174.268 176.300 0.139 0.000 1.173 3145 M CA -2.532 52.874 55.300 0.178 0.000 1.110 3145 M CB 1.131 33.934 32.600 0.338 0.000 1.366 3145 M HN 0.201 nan 8.290 nan 0.000 0.415 3146 P HA -0.130 nan 4.420 nan 0.000 0.217 3146 P C 0.819 178.112 177.300 -0.013 0.000 1.158 3146 P CA 1.354 64.471 63.100 0.028 0.000 0.887 3146 P CB 0.276 31.988 31.700 0.021 0.000 0.792 3147 G N -2.511 106.272 108.800 -0.029 0.000 3.936 3147 G HA2 0.269 4.229 3.960 -0.000 0.000 0.296 3147 G HA3 0.269 4.229 3.960 -0.000 0.000 0.296 3147 G C 0.698 175.505 174.900 -0.156 0.000 1.121 3147 G CA -0.005 45.045 45.100 -0.083 0.000 0.899 3147 G HN 0.212 nan 8.290 nan 0.000 0.542 3148 M N -0.948 118.524 119.600 -0.213 0.000 2.447 3148 M HA 0.459 4.939 4.480 -0.000 0.000 0.255 3148 M C -0.737 175.199 176.300 -0.607 0.000 1.289 3148 M CA 0.148 55.238 55.300 -0.350 0.000 1.128 3148 M CB 1.032 33.430 32.600 -0.337 0.000 1.540 3148 M HN 0.062 nan 8.290 nan 0.000 0.557 3149 Y N 1.004 121.141 120.300 -0.272 0.000 2.331 3149 Y HA 0.390 4.940 4.550 -0.000 0.000 0.338 3149 Y C -0.802 174.890 175.900 -0.347 0.000 0.992 3149 Y CA -0.656 57.322 58.100 -0.204 0.000 1.121 3149 Y CB 0.603 39.019 38.460 -0.074 0.000 1.184 3149 Y HN 0.133 nan 8.280 nan 0.000 0.469 3150 H N 0.970 120.114 119.070 0.123 0.000 2.457 3150 H HA 0.608 5.164 4.556 -0.000 0.000 0.335 3150 H C 0.751 176.132 175.328 0.088 0.000 1.115 3150 H CA -0.226 55.871 56.048 0.081 0.000 1.219 3150 H CB 1.342 31.127 29.762 0.039 0.000 1.471 3150 H HN 0.887 nan 8.280 nan 0.000 0.491 3151 G N 1.984 110.883 108.800 0.166 0.000 2.552 3151 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.265 3151 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.265 3151 G C 0.677 175.643 174.900 0.110 0.000 1.234 3151 G CA 0.314 45.487 45.100 0.122 0.000 0.944 3151 G HN 0.714 nan 8.290 nan 0.000 0.568 3152 E N 1.219 121.483 120.200 0.106 0.000 2.502 3152 E HA 0.136 4.485 4.350 -0.000 0.000 0.194 3152 E C 0.019 176.704 176.600 0.142 0.000 1.062 3152 E CA 0.262 56.728 56.400 0.110 0.000 0.867 3152 E CB -0.073 29.691 29.700 0.107 0.000 0.888 3152 E HN 0.461 nan 8.360 nan 0.000 0.510 3153 D N 1.052 121.526 120.400 0.124 0.000 2.548 3153 D HA -0.047 4.592 4.640 -0.000 0.000 0.231 3153 D C -0.440 175.888 176.300 0.046 0.000 1.142 3153 D CA 0.977 55.026 54.000 0.081 0.000 0.866 3153 D CB 0.165 41.064 40.800 0.164 0.000 1.190 3153 D HN 0.103 nan 8.370 nan 0.000 0.469 3154 Y N -1.293 118.927 120.300 -0.134 0.000 2.597 3154 Y HA 0.626 5.175 4.550 -0.000 0.000 0.340 3154 Y C -1.604 174.106 175.900 -0.316 0.000 1.097 3154 Y CA -1.437 56.393 58.100 -0.450 0.000 1.037 3154 Y CB 1.614 39.658 38.460 -0.693 0.000 1.305 3154 Y HN 0.088 nan 8.280 nan 0.000 0.463 3155 D N 1.181 121.430 120.400 -0.252 0.000 2.787 3155 D HA 0.632 5.272 4.640 -0.000 0.000 0.246 3155 D C -1.675 174.599 176.300 -0.043 0.000 1.150 3155 D CA -0.337 53.626 54.000 -0.062 0.000 0.864 3155 D CB 2.544 43.418 40.800 0.124 0.000 1.481 3155 D HN 0.607 nan 8.370 nan 0.000 0.509 3156 V N 1.583 121.550 119.914 0.088 0.000 2.555 3156 V HA 0.888 5.008 4.120 -0.000 0.000 0.302 3156 V C 0.002 176.220 176.094 0.207 0.000 1.038 3156 V CA -1.025 61.370 62.300 0.158 0.000 0.887 3156 V CB 1.452 33.417 31.823 0.237 0.000 0.991 3156 V HN 0.729 nan 8.190 nan 0.000 0.434 3157 A N 2.836 125.808 122.820 0.254 0.000 2.318 3157 A HA 0.878 5.198 4.320 -0.000 0.000 0.317 3157 A C 0.249 177.944 177.584 0.185 0.000 1.159 3157 A CA -0.133 52.028 52.037 0.208 0.000 0.799 3157 A CB 1.245 20.355 19.000 0.185 0.000 1.194 3157 A HN 1.136 nan 8.150 nan 0.000 0.479 3158 G N 0.119 109.022 108.800 0.172 0.000 2.412 3158 G HA2 0.603 4.563 3.960 -0.000 0.000 0.318 3158 G HA3 0.603 4.563 3.960 -0.000 0.000 0.318 3158 G C -1.235 173.615 174.900 -0.085 0.000 1.146 3158 G CA -0.334 44.815 45.100 0.082 0.000 0.882 3158 G HN 0.872 nan 8.290 nan 0.000 0.501 3159 F N 1.117 120.578 119.950 -0.815 0.000 2.607 3159 F HA 0.577 5.104 4.527 -0.000 0.000 0.322 3159 F C -0.946 174.524 175.800 -0.550 0.000 1.176 3159 F CA -1.758 55.947 58.000 -0.491 0.000 0.977 3159 F CB 1.155 39.967 39.000 -0.313 0.000 1.242 3159 F HN 0.634 nan 8.300 nan 0.000 0.465 3160 C N 5.757 124.739 119.300 -0.530 0.000 2.802 3160 C HA 0.940 5.400 4.460 -0.000 0.000 0.307 3160 C C -1.460 173.135 174.990 -0.658 0.000 1.222 3160 C CA -0.418 58.311 59.018 -0.482 0.000 1.580 3160 C CB 1.514 29.257 27.740 0.004 0.000 2.119 3160 C HN 0.681 nan 8.230 nan 0.000 0.479 3161 V N 4.385 123.842 119.914 -0.761 0.000 2.482 3161 V HA 0.713 4.833 4.120 -0.000 0.000 0.295 3161 V C 0.651 176.421 176.094 -0.540 0.000 1.026 3161 V CA 0.119 61.987 62.300 -0.719 0.000 0.856 3161 V CB 1.296 32.442 31.823 -1.129 0.000 1.001 3161 V HN 1.154 nan 8.190 nan 0.000 0.424 3162 G N 2.391 110.997 108.800 -0.323 0.000 2.552 3162 G HA2 0.710 4.670 3.960 -0.000 0.000 0.324 3162 G HA3 0.710 4.670 3.960 -0.000 0.000 0.324 3162 G C -1.294 173.459 174.900 -0.245 0.000 1.217 3162 G CA -0.764 44.194 45.100 -0.238 0.000 0.989 3162 G HN 0.768 nan 8.290 nan 0.000 0.490 3163 V N -0.216 119.546 119.914 -0.253 0.000 2.686 3163 V HA 0.709 4.828 4.120 -0.000 0.000 0.306 3163 V C -1.147 174.675 176.094 -0.453 0.000 1.065 3163 V CA -0.682 61.373 62.300 -0.407 0.000 0.894 3163 V CB 1.570 33.052 31.823 -0.568 0.000 1.004 3163 V HN 0.828 nan 8.190 nan 0.000 0.424 3164 V N 5.110 124.808 119.914 -0.360 0.000 2.823 3164 V HA 0.697 4.817 4.120 -0.000 0.000 0.312 3164 V C -0.442 175.607 176.094 -0.074 0.000 1.072 3164 V CA -0.574 61.648 62.300 -0.130 0.000 0.937 3164 V CB 2.264 34.061 31.823 -0.043 0.000 1.013 3164 V HN 1.122 nan 8.190 nan 0.000 0.430 3165 E N 3.904 124.213 120.200 0.182 0.000 2.344 3165 E HA 0.173 4.522 4.350 -0.000 0.000 0.270 3165 E C 1.034 177.680 176.600 0.076 0.000 1.021 3165 E CA 0.524 57.044 56.400 0.199 0.000 0.887 3165 E CB 1.227 31.066 29.700 0.231 0.000 0.997 3165 E HN 0.647 nan 8.360 nan 0.000 0.429 3166 K N 2.447 122.876 120.400 0.048 0.000 2.113 3166 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 3166 K C 1.326 177.942 176.600 0.026 0.000 1.047 3166 K CA 1.695 57.996 56.287 0.023 0.000 0.928 3166 K CB -0.133 32.378 32.500 0.017 0.000 0.716 3166 K HN 0.592 nan 8.250 nan 0.000 0.446 3167 S N -0.305 115.417 115.700 0.036 0.000 2.603 3167 S HA 0.041 4.511 4.470 -0.000 0.000 0.220 3167 S C 0.630 175.248 174.600 0.029 0.000 0.967 3167 S CA 0.214 58.431 58.200 0.028 0.000 0.920 3167 S CB 0.248 63.464 63.200 0.026 0.000 0.773 3167 S HN 0.244 nan 8.310 nan 0.000 0.529 3168 E N 0.818 121.040 120.200 0.038 0.000 2.734 3168 E HA 0.369 4.718 4.350 -0.000 0.000 0.211 3168 E C -0.254 176.364 176.600 0.030 0.000 0.991 3168 E CA -0.263 56.159 56.400 0.036 0.000 1.065 3168 E CB 0.443 30.172 29.700 0.048 0.000 1.047 3168 E HN 0.584 nan 8.360 nan 0.000 0.470 3169 I N 1.810 122.393 120.570 0.022 0.000 2.588 3169 I HA 0.097 4.267 4.170 -0.000 0.000 0.283 3169 I C 0.560 176.684 176.117 0.011 0.000 1.119 3169 I CA -0.003 61.303 61.300 0.011 0.000 1.419 3169 I CB 0.616 38.617 38.000 0.003 0.000 1.394 3169 I HN -0.131 nan 8.210 nan 0.000 0.562 3170 I N 6.024 126.598 120.570 0.007 0.000 2.337 3170 I HA 0.101 4.271 4.170 -0.000 0.000 0.285 3170 I C 0.741 176.860 176.117 0.003 0.000 1.041 3170 I CA -0.284 61.023 61.300 0.010 0.000 1.199 3170 I CB 0.663 38.668 38.000 0.009 0.000 1.370 3170 I HN 0.651 nan 8.210 nan 0.000 0.470 3171 D N 4.075 124.476 120.400 0.002 0.000 2.262 3171 D HA 0.047 4.687 4.640 -0.000 0.000 0.212 3171 D C 1.359 177.654 176.300 -0.007 0.000 0.964 3171 D CA 1.065 55.062 54.000 -0.004 0.000 0.875 3171 D CB 0.734 41.530 40.800 -0.007 0.000 0.996 3171 D HN 0.675 nan 8.370 nan 0.000 0.497 3172 G N 0.662 109.457 108.800 -0.009 0.000 2.192 3172 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.193 3172 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.193 3172 G C 1.140 176.014 174.900 -0.044 0.000 0.999 3172 G CA 0.738 45.828 45.100 -0.018 0.000 0.659 3172 G HN 0.516 nan 8.290 nan 0.000 0.503 3173 S N 0.229 115.901 115.700 -0.047 0.000 2.423 3173 S HA 0.032 4.502 4.470 -0.000 0.000 0.231 3173 S C 1.989 176.521 174.600 -0.113 0.000 1.014 3173 S CA 1.491 59.655 58.200 -0.061 0.000 0.965 3173 S CB -0.081 63.093 63.200 -0.043 0.000 0.785 3173 S HN 0.276 nan 8.310 nan 0.000 0.495 3174 K N 1.409 121.712 120.400 -0.162 0.000 2.365 3174 K HA 0.217 4.537 4.320 -0.000 0.000 0.199 3174 K C 0.296 176.544 176.600 -0.587 0.000 1.045 3174 K CA 0.076 56.151 56.287 -0.354 0.000 0.962 3174 K CB -0.784 31.509 32.500 -0.345 0.000 0.759 3174 K HN 0.333 nan 8.250 nan 0.000 0.469 3175 V N 3.480 123.202 119.914 -0.320 0.000 2.434 3175 V HA -0.067 4.053 4.120 -0.000 0.000 0.281 3175 V C 0.845 176.851 176.094 -0.147 0.000 1.005 3175 V CA 0.136 62.320 62.300 -0.194 0.000 1.089 3175 V CB -0.199 31.590 31.823 -0.057 0.000 0.978 3175 V HN 0.292 nan 8.190 nan 0.000 0.474 3176 S N 3.133 118.756 115.700 -0.127 0.000 2.753 3176 S HA 0.570 5.040 4.470 -0.000 0.000 0.302 3176 S C -0.511 174.080 174.600 -0.015 0.000 1.104 3176 S CA -0.974 57.186 58.200 -0.067 0.000 0.968 3176 S CB 1.464 64.622 63.200 -0.070 0.000 1.278 3176 S HN 0.669 nan 8.310 nan 0.000 0.549 3177 D N -1.238 119.159 120.400 -0.005 0.000 2.304 3177 D HA 0.509 5.149 4.640 -0.000 0.000 0.247 3177 D C 1.261 177.573 176.300 0.019 0.000 1.089 3177 D CA 0.939 54.944 54.000 0.009 0.000 0.910 3177 D CB 0.429 41.233 40.800 0.007 0.000 1.199 3177 D HN 1.039 nan 8.370 nan 0.000 0.426 3178 G N 2.581 111.395 108.800 0.023 0.000 2.213 3178 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.236 3178 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.236 3178 G C 0.078 174.998 174.900 0.033 0.000 0.991 3178 G CA 0.071 45.187 45.100 0.027 0.000 0.629 3178 G HN 0.651 nan 8.290 nan 0.000 0.517 3179 D N 0.537 120.963 120.400 0.044 0.000 2.449 3179 D HA 0.419 5.059 4.640 -0.000 0.000 0.236 3179 D C 0.781 177.096 176.300 0.025 0.000 1.149 3179 D CA 0.298 54.332 54.000 0.056 0.000 0.878 3179 D CB 1.473 42.328 40.800 0.090 0.000 1.198 3179 D HN 0.257 nan 8.370 nan 0.000 0.446 3180 V N 2.679 122.597 119.914 0.007 0.000 2.713 3180 V HA 0.383 4.503 4.120 -0.000 0.000 0.307 3180 V C 0.289 176.357 176.094 -0.044 0.000 1.052 3180 V CA -0.815 61.476 62.300 -0.014 0.000 0.967 3180 V CB 1.516 33.328 31.823 -0.018 0.000 1.019 3180 V HN 0.298 nan 8.190 nan 0.000 0.459 3181 L N 4.620 125.804 121.223 -0.064 0.000 2.313 3181 L HA 0.552 4.891 4.340 -0.000 0.000 0.283 3181 L C -0.839 175.919 176.870 -0.186 0.000 1.013 3181 L CA -0.498 54.270 54.840 -0.120 0.000 0.816 3181 L CB 1.570 43.559 42.059 -0.117 0.000 1.236 3181 L HN 0.360 nan 8.230 nan 0.000 0.419 3182 I N 2.705 123.132 120.570 -0.239 0.000 2.377 3182 I HA 0.534 4.704 4.170 -0.000 0.000 0.293 3182 I C 0.333 176.152 176.117 -0.496 0.000 0.987 3182 I CA -0.388 60.717 61.300 -0.325 0.000 1.185 3182 I CB 1.750 39.608 38.000 -0.236 0.000 1.341 3182 I HN 0.599 nan 8.210 nan 0.000 0.455 3183 A N 7.561 129.894 122.820 -0.811 0.000 2.330 3183 A HA 0.798 5.118 4.320 -0.000 0.000 0.327 3183 A C -0.715 176.285 177.584 -0.973 0.000 1.155 3183 A CA -0.573 50.831 52.037 -1.056 0.000 0.803 3183 A CB 1.020 19.034 19.000 -1.643 0.000 1.208 3183 A HN 0.679 nan 8.150 nan 0.000 0.477 3184 L N 2.758 123.583 121.223 -0.662 0.000 2.287 3184 L HA 0.470 4.810 4.340 -0.000 0.000 0.287 3184 L C 1.050 177.825 176.870 -0.158 0.000 1.022 3184 L CA -0.745 53.863 54.840 -0.386 0.000 0.814 3184 L CB 1.535 43.283 42.059 -0.518 0.000 1.217 3184 L HN 0.913 nan 8.230 nan 0.000 0.420 3185 G N 1.889 110.808 108.800 0.197 0.000 2.414 3185 G HA2 0.220 4.179 3.960 -0.000 0.000 0.236 3185 G HA3 0.220 4.179 3.960 -0.000 0.000 0.236 3185 G C 0.301 175.448 174.900 0.411 0.000 1.293 3185 G CA -0.209 45.139 45.100 0.412 0.000 0.869 3185 G HN 0.662 nan 8.290 nan 0.000 0.556 3186 S N 0.079 115.986 115.700 0.346 0.000 2.616 3186 S HA 0.410 4.880 4.470 -0.000 0.000 0.277 3186 S C 1.346 176.151 174.600 0.343 0.000 1.234 3186 S CA 0.148 58.552 58.200 0.341 0.000 1.028 3186 S CB 1.770 64.864 63.200 -0.176 0.000 0.988 3186 S HN 1.142 nan 8.310 nan 0.000 0.522 3187 S N 0.823 116.803 115.700 0.466 0.000 2.607 3187 S HA 0.479 4.949 4.470 -0.000 0.000 0.224 3187 S C 1.064 175.817 174.600 0.255 0.000 0.969 3187 S CA 0.178 58.558 58.200 0.300 0.000 0.927 3187 S CB -1.145 62.195 63.200 0.234 0.000 0.772 3187 S HN 1.787 nan 8.310 nan 0.000 0.533 3188 G N 1.303 110.261 108.800 0.263 0.000 2.366 3188 G HA2 0.109 4.069 3.960 -0.000 0.000 0.190 3188 G HA3 0.109 4.069 3.960 -0.000 0.000 0.190 3188 G C -2.785 172.274 174.900 0.265 0.000 1.299 3188 G CA -0.192 45.017 45.100 0.182 0.000 1.056 3188 G HN 0.063 nan 8.290 nan 0.000 0.468 3189 P HA 0.112 nan 4.420 nan 0.000 0.226 3189 P C 0.928 178.520 177.300 0.487 0.000 1.153 3189 P CA 1.659 64.962 63.100 0.338 0.000 0.777 3189 P CB -0.056 31.671 31.700 0.045 0.000 0.794 3190 H N -2.234 117.058 119.070 0.370 0.000 1.452 3190 H HA -0.184 4.372 4.556 -0.000 0.000 0.090 3190 H C 0.509 176.057 175.328 0.366 0.000 0.626 3190 H CA 0.882 57.116 56.048 0.310 0.000 1.901 3190 H CB -1.984 27.933 29.762 0.258 0.000 2.257 3190 H HN 0.056 nan 8.280 nan 0.000 0.961 3191 S N 1.475 117.451 115.700 0.461 0.000 2.665 3191 S HA 0.467 4.937 4.470 -0.000 0.000 0.235 3191 S C -0.909 173.888 174.600 0.328 0.000 1.084 3191 S CA 0.142 58.534 58.200 0.320 0.000 1.151 3191 S CB -0.646 62.647 63.200 0.155 0.000 1.151 3191 S HN 0.502 nan 8.310 nan 0.000 0.461 3192 N N -0.811 118.147 118.700 0.430 0.000 2.446 3192 N HA 0.543 5.282 4.740 -0.000 0.000 0.272 3192 N C 0.022 175.591 175.510 0.098 0.000 1.127 3192 N CA 0.138 53.330 53.050 0.236 0.000 0.896 3192 N CB 1.818 40.368 38.487 0.105 0.000 1.658 3192 N HN 0.205 nan 8.380 nan 0.000 0.483 3193 G N 0.187 108.969 108.800 -0.029 0.000 2.131 3193 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.223 3193 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.223 3193 G C 0.087 174.868 174.900 -0.198 0.000 0.990 3193 G CA -0.047 44.844 45.100 -0.347 0.000 0.671 3193 G HN 0.603 nan 8.290 nan 0.000 0.521 3194 Y N 1.521 121.855 120.300 0.058 0.000 2.529 3194 Y HA 0.107 4.656 4.550 -0.000 0.000 0.290 3194 Y C 2.745 178.697 175.900 0.088 0.000 1.177 3194 Y CA 1.463 59.636 58.100 0.121 0.000 1.305 3194 Y CB 0.292 38.818 38.460 0.109 0.000 1.047 3194 Y HN 0.509 nan 8.280 nan 0.000 0.522 3195 S N -0.550 115.239 115.700 0.148 0.000 2.362 3195 S HA -0.149 4.320 4.470 -0.000 0.000 0.221 3195 S C 1.923 176.579 174.600 0.093 0.000 1.032 3195 S CA 0.833 59.095 58.200 0.103 0.000 0.973 3195 S CB -0.804 62.431 63.200 0.059 0.000 0.849 3195 S HN 0.358 nan 8.310 nan 0.000 0.465 3196 L N 2.206 123.465 121.223 0.060 0.000 2.083 3196 L HA 0.057 4.396 4.340 -0.000 0.000 0.209 3196 L C 2.432 179.409 176.870 0.178 0.000 1.083 3196 L CA 1.343 56.237 54.840 0.090 0.000 0.752 3196 L CB -0.895 41.184 42.059 0.034 0.000 0.899 3196 L HN 0.232 nan 8.230 nan 0.000 0.433 3197 V N 0.193 120.241 119.914 0.223 0.000 2.287 3197 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 3197 V C 2.711 178.921 176.094 0.193 0.000 1.053 3197 V CA 2.333 64.768 62.300 0.225 0.000 1.027 3197 V CB -0.659 31.252 31.823 0.146 0.000 0.646 3197 V HN 0.487 nan 8.190 nan 0.000 0.447 3198 R N -0.256 120.351 120.500 0.178 0.000 2.189 3198 R HA -0.145 4.195 4.340 -0.000 0.000 0.223 3198 R C 2.268 178.637 176.300 0.116 0.000 1.092 3198 R CA 1.067 57.253 56.100 0.144 0.000 0.989 3198 R CB -0.222 30.155 30.300 0.129 0.000 0.876 3198 R HN 0.341 nan 8.270 nan 0.000 0.457 3199 K N 1.316 121.783 120.400 0.111 0.000 2.116 3199 K HA 0.027 4.347 4.320 -0.000 0.000 0.203 3199 K C 1.694 178.346 176.600 0.087 0.000 1.052 3199 K CA 1.038 57.376 56.287 0.085 0.000 0.952 3199 K CB 0.037 32.582 32.500 0.074 0.000 0.729 3199 K HN 0.047 nan 8.250 nan 0.000 0.446 3200 I N 0.343 120.980 120.570 0.112 0.000 2.353 3200 I HA -0.209 3.960 4.170 -0.000 0.000 0.248 3200 I C 1.898 178.099 176.117 0.139 0.000 1.119 3200 I CA 0.832 62.191 61.300 0.099 0.000 1.417 3200 I CB -0.121 37.944 38.000 0.108 0.000 1.078 3200 I HN 0.097 nan 8.210 nan 0.000 0.421 3201 L N 0.389 121.726 121.223 0.190 0.000 2.093 3201 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 3201 L C 2.629 179.579 176.870 0.134 0.000 1.085 3201 L CA 1.328 56.291 54.840 0.205 0.000 0.755 3201 L CB -0.517 41.641 42.059 0.164 0.000 0.904 3201 L HN 0.327 nan 8.230 nan 0.000 0.435 3202 E N 0.275 120.536 120.200 0.101 0.000 2.028 3202 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 3202 E C 2.257 178.893 176.600 0.060 0.000 0.988 3202 E CA 1.548 57.991 56.400 0.072 0.000 0.799 3202 E CB 0.091 29.828 29.700 0.062 0.000 0.755 3202 E HN 0.203 nan 8.360 nan 0.000 0.447 3203 V N 1.548 121.494 119.914 0.053 0.000 2.255 3203 V HA -0.290 3.829 4.120 -0.000 0.000 0.247 3203 V C 2.630 178.741 176.094 0.029 0.000 1.051 3203 V CA 2.239 64.559 62.300 0.033 0.000 1.018 3203 V CB -0.676 31.160 31.823 0.022 0.000 0.641 3203 V HN 0.482 nan 8.190 nan 0.000 0.445 3204 S N -0.061 115.661 115.700 0.037 0.000 2.515 3204 S HA 0.096 4.565 4.470 -0.000 0.000 0.231 3204 S C 1.741 176.380 174.600 0.066 0.000 0.987 3204 S CA 0.898 59.119 58.200 0.035 0.000 0.936 3204 S CB -0.009 63.207 63.200 0.027 0.000 0.766 3204 S HN 1.304 nan 8.310 nan 0.000 0.528 3205 G N 0.287 109.132 108.800 0.075 0.000 2.166 3205 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 3205 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 3205 G C 0.186 175.138 174.900 0.087 0.000 0.986 3205 G CA 0.125 45.266 45.100 0.070 0.000 0.683 3205 G HN 0.685 nan 8.290 nan 0.000 0.527 3206 C N 0.569 119.949 119.300 0.134 0.000 2.593 3206 C HA 0.508 4.968 4.460 -0.000 0.000 0.409 3206 C C 0.637 175.683 174.990 0.093 0.000 1.304 3206 C CA -0.392 58.716 59.018 0.150 0.000 2.007 3206 C CB 0.998 28.919 27.740 0.302 0.000 2.614 3206 C HN 0.546 nan 8.230 nan 0.000 0.585 3207 D N 4.006 124.436 120.400 0.049 0.000 2.359 3207 D HA 0.254 4.894 4.640 -0.000 0.000 0.230 3207 D C -1.005 175.276 176.300 -0.030 0.000 1.118 3207 D CA -2.017 51.992 54.000 0.015 0.000 0.844 3207 D CB 1.140 41.948 40.800 0.013 0.000 1.059 3207 D HN 0.291 nan 8.370 nan 0.000 0.493 3208 P HA -0.168 nan 4.420 nan 0.000 0.223 3208 P C 0.707 177.949 177.300 -0.096 0.000 1.144 3208 P CA 1.089 64.115 63.100 -0.123 0.000 0.783 3208 P CB 0.460 32.101 31.700 -0.097 0.000 0.771 3209 Q N -0.526 119.241 119.800 -0.055 0.000 2.250 3209 Q HA -0.018 4.322 4.340 -0.000 0.000 0.200 3209 Q C 2.182 178.160 176.000 -0.037 0.000 0.941 3209 Q CA 1.777 57.555 55.803 -0.042 0.000 0.872 3209 Q CB -0.368 28.354 28.738 -0.026 0.000 0.965 3209 Q HN 0.370 nan 8.270 nan 0.000 0.480 3210 T N -2.276 112.259 114.554 -0.031 0.000 3.035 3210 T HA 0.036 4.386 4.350 -0.000 0.000 0.259 3210 T C 1.077 175.760 174.700 -0.029 0.000 1.078 3210 T CA 0.134 62.221 62.100 -0.021 0.000 1.132 3210 T CB -0.115 68.750 68.868 -0.006 0.000 0.900 3210 T HN -0.099 nan 8.240 nan 0.000 0.480 3211 T N 3.450 117.972 114.554 -0.053 0.000 2.769 3211 T HA 0.223 4.573 4.350 -0.000 0.000 0.293 3211 T C -0.130 174.510 174.700 -0.099 0.000 0.931 3211 T CA -0.188 61.868 62.100 -0.074 0.000 1.139 3211 T CB 0.716 69.504 68.868 -0.133 0.000 0.881 3211 T HN 0.285 nan 8.240 nan 0.000 0.532 3212 E N 2.036 122.201 120.200 -0.058 0.000 2.277 3212 E HA 0.475 4.825 4.350 -0.000 0.000 0.274 3212 E C -0.793 175.769 176.600 -0.063 0.000 1.022 3212 E CA -0.716 55.658 56.400 -0.044 0.000 0.853 3212 E CB 1.943 31.635 29.700 -0.013 0.000 1.086 3212 E HN 0.313 nan 8.360 nan 0.000 0.397 3213 L N 3.147 124.346 121.223 -0.041 0.000 2.596 3213 L HA 0.197 4.536 4.340 -0.000 0.000 0.265 3213 L C -1.276 175.631 176.870 0.061 0.000 0.962 3213 L CA -0.098 54.697 54.840 -0.075 0.000 0.891 3213 L CB 1.077 42.939 42.059 -0.329 0.000 1.248 3213 L HN 0.392 nan 8.230 nan 0.000 0.410 3214 D N 4.366 124.794 120.400 0.046 0.000 2.708 3214 D HA -0.151 4.489 4.640 -0.000 0.000 0.236 3214 D C 1.142 177.494 176.300 0.086 0.000 1.146 3214 D CA 1.982 56.029 54.000 0.079 0.000 0.662 3214 D CB -0.949 39.917 40.800 0.111 0.000 1.059 3214 D HN 1.249 nan 8.370 nan 0.000 0.428 3215 G N -0.720 108.113 108.800 0.055 0.000 2.490 3215 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.214 3215 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.214 3215 G C 0.269 175.182 174.900 0.021 0.000 1.151 3215 G CA 0.514 45.633 45.100 0.031 0.000 0.684 3215 G HN 0.744 nan 8.290 nan 0.000 0.518 3216 K N 1.034 121.455 120.400 0.036 0.000 2.166 3216 K HA 0.716 5.035 4.320 -0.000 0.000 0.245 3216 K C -3.160 173.461 176.600 0.035 0.000 0.967 3216 K CA -2.232 54.052 56.287 -0.005 0.000 0.863 3216 K CB 2.401 34.841 32.500 -0.100 0.000 1.107 3216 K HN 0.084 nan 8.250 nan 0.000 0.436 3217 P HA -0.092 nan 4.420 nan 0.000 0.267 3217 P C 0.458 177.763 177.300 0.010 0.000 1.200 3217 P CA -0.345 62.743 63.100 -0.020 0.000 0.772 3217 P CB 0.384 32.062 31.700 -0.038 0.000 0.855 3218 L N 3.928 125.091 121.223 -0.101 0.000 2.187 3218 L HA -0.178 4.162 4.340 -0.000 0.000 0.213 3218 L C 1.967 178.759 176.870 -0.129 0.000 1.100 3218 L CA 2.118 56.828 54.840 -0.218 0.000 0.765 3218 L CB -1.416 40.314 42.059 -0.549 0.000 0.904 3218 L HN 0.400 nan 8.230 nan 0.000 0.437 3219 A N -0.931 121.832 122.820 -0.094 0.000 1.969 3219 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 3219 A C 1.891 179.456 177.584 -0.031 0.000 1.169 3219 A CA 1.696 53.699 52.037 -0.057 0.000 0.635 3219 A CB -0.677 18.292 19.000 -0.051 0.000 0.810 3219 A HN 0.506 nan 8.150 nan 0.000 0.445 3220 D N -1.075 119.300 120.400 -0.041 0.000 2.178 3220 D HA -0.088 4.552 4.640 -0.000 0.000 0.202 3220 D C 1.735 177.976 176.300 -0.098 0.000 0.974 3220 D CA 0.998 54.951 54.000 -0.079 0.000 0.841 3220 D CB -0.385 40.340 40.800 -0.124 0.000 0.953 3220 D HN 0.585 nan 8.370 nan 0.000 0.478 3221 H N -0.223 118.789 119.070 -0.096 0.000 2.395 3221 H HA 0.067 4.623 4.556 -0.000 0.000 0.299 3221 H C 2.126 177.400 175.328 -0.089 0.000 1.070 3221 H CA 0.691 56.672 56.048 -0.111 0.000 1.356 3221 H CB 0.263 29.915 29.762 -0.184 0.000 1.401 3221 H HN 0.184 nan 8.280 nan 0.000 0.524 3222 L N -0.010 121.250 121.223 0.060 0.000 2.127 3222 L HA -0.056 4.284 4.340 -0.000 0.000 0.203 3222 L C 1.950 178.938 176.870 0.196 0.000 1.080 3222 L CA 0.286 55.201 54.840 0.124 0.000 0.768 3222 L CB 0.041 42.168 42.059 0.112 0.000 0.924 3222 L HN 0.173 nan 8.230 nan 0.000 0.444 3223 L N 0.884 122.154 121.223 0.080 0.000 2.645 3223 L HA 0.227 4.567 4.340 -0.000 0.000 0.234 3223 L C 0.939 177.823 176.870 0.024 0.000 1.165 3223 L CA -0.000 54.856 54.840 0.027 0.000 0.944 3223 L CB -1.000 41.047 42.059 -0.021 0.000 1.149 3223 L HN 0.072 nan 8.230 nan 0.000 0.446 3224 A N 1.358 124.212 122.820 0.056 0.000 2.492 3224 A HA 0.346 4.665 4.320 -0.000 0.000 0.254 3224 A C -2.112 175.516 177.584 0.073 0.000 1.091 3224 A CA -0.809 51.256 52.037 0.048 0.000 0.768 3224 A CB -0.417 18.620 19.000 0.061 0.000 1.028 3224 A HN 0.117 nan 8.150 nan 0.000 0.498 3225 P HA 0.155 nan 4.420 nan 0.000 0.269 3225 P C 0.108 177.403 177.300 -0.007 0.000 1.209 3225 P CA 0.103 63.204 63.100 0.002 0.000 0.776 3225 P CB 0.442 32.124 31.700 -0.029 0.000 0.876 3226 T N 3.274 117.782 114.554 -0.077 0.000 2.940 3226 T HA 0.086 4.436 4.350 -0.000 0.000 0.309 3226 T C 0.634 175.132 174.700 -0.336 0.000 1.056 3226 T CA -0.104 61.806 62.100 -0.316 0.000 1.137 3226 T CB 0.067 68.729 68.868 -0.343 0.000 0.976 3226 T HN 0.233 nan 8.240 nan 0.000 0.547 3227 R N 2.119 122.341 120.500 -0.463 0.000 2.490 3227 R HA 0.302 4.642 4.340 -0.000 0.000 0.280 3227 R C -0.138 175.752 176.300 -0.685 0.000 1.077 3227 R CA -0.227 55.581 56.100 -0.486 0.000 1.065 3227 R CB 0.463 30.439 30.300 -0.540 0.000 1.003 3227 R HN 0.577 nan 8.270 nan 0.000 0.470 3228 I N 4.579 124.840 120.570 -0.515 0.000 2.306 3228 I HA 0.099 4.269 4.170 -0.000 0.000 0.288 3228 I C -0.206 175.701 176.117 -0.351 0.000 1.036 3228 I CA -0.327 60.745 61.300 -0.379 0.000 1.221 3228 I CB 0.836 38.707 38.000 -0.214 0.000 1.385 3228 I HN 0.651 nan 8.210 nan 0.000 0.472 3229 Y N 4.609 124.862 120.300 -0.078 0.000 2.495 3229 Y HA 0.082 4.631 4.550 -0.000 0.000 0.293 3229 Y C 1.656 177.513 175.900 -0.071 0.000 1.186 3229 Y CA -0.211 57.851 58.100 -0.063 0.000 1.266 3229 Y CB -0.384 38.037 38.460 -0.064 0.000 1.101 3229 Y HN 0.387 nan 8.280 nan 0.000 0.517 3230 V N 0.370 120.302 119.914 0.030 0.000 2.214 3230 V HA -0.354 3.766 4.120 -0.000 0.000 0.247 3230 V C 2.334 178.433 176.094 0.010 0.000 1.051 3230 V CA 1.870 64.172 62.300 0.003 0.000 1.003 3230 V CB -0.322 31.484 31.823 -0.028 0.000 0.635 3230 V HN 0.335 nan 8.190 nan 0.000 0.447 3231 K N 0.265 120.666 120.400 0.002 0.000 2.044 3231 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 3231 K C 2.390 178.998 176.600 0.014 0.000 1.049 3231 K CA 1.965 58.254 56.287 0.004 0.000 0.927 3231 K CB -0.903 31.596 32.500 -0.003 0.000 0.713 3231 K HN 0.487 nan 8.250 nan 0.000 0.443 3232 S N 0.978 116.697 115.700 0.033 0.000 2.351 3232 S HA -0.116 4.354 4.470 -0.000 0.000 0.220 3232 S C 2.274 176.884 174.600 0.017 0.000 1.035 3232 S CA 1.486 59.709 58.200 0.038 0.000 1.031 3232 S CB -0.364 62.885 63.200 0.082 0.000 0.928 3232 S HN 0.043 nan 8.310 nan 0.000 0.433 3233 V N 2.200 122.125 119.914 0.018 0.000 2.343 3233 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 3233 V C 2.185 178.271 176.094 -0.013 0.000 1.051 3233 V CA 1.451 63.743 62.300 -0.013 0.000 1.036 3233 V CB -0.737 31.072 31.823 -0.023 0.000 0.654 3233 V HN 0.418 nan 8.190 nan 0.000 0.451 3234 L N -0.002 121.219 121.223 -0.003 0.000 2.191 3234 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 3234 L C 2.582 179.449 176.870 -0.005 0.000 1.103 3234 L CA 1.788 56.627 54.840 -0.001 0.000 0.769 3234 L CB -0.416 41.647 42.059 0.006 0.000 0.908 3234 L HN 0.435 nan 8.230 nan 0.000 0.438 3235 E N 0.513 120.710 120.200 -0.006 0.000 2.122 3235 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 3235 E C 2.162 178.753 176.600 -0.015 0.000 0.977 3235 E CA 0.756 57.150 56.400 -0.009 0.000 0.820 3235 E CB -0.141 29.557 29.700 -0.004 0.000 0.770 3235 E HN 0.341 nan 8.360 nan 0.000 0.462 3236 L N 0.329 121.541 121.223 -0.019 0.000 2.017 3236 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 3236 L C 1.881 178.730 176.870 -0.034 0.000 1.073 3236 L CA 1.082 55.904 54.840 -0.030 0.000 0.745 3236 L CB -0.271 41.763 42.059 -0.042 0.000 0.894 3236 L HN 0.250 nan 8.230 nan 0.000 0.432 3237 I N -0.032 120.521 120.570 -0.030 0.000 2.264 3237 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 3237 I C 2.508 178.612 176.117 -0.022 0.000 1.111 3237 I CA 1.342 62.627 61.300 -0.026 0.000 1.382 3237 I CB -1.266 36.725 38.000 -0.015 0.000 1.060 3237 I HN 0.371 nan 8.210 nan 0.000 0.418 3238 E N 0.739 120.928 120.200 -0.019 0.000 2.152 3238 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 3238 E C 1.803 178.391 176.600 -0.021 0.000 0.983 3238 E CA 0.785 57.174 56.400 -0.019 0.000 0.818 3238 E CB 0.200 29.888 29.700 -0.019 0.000 0.758 3238 E HN 0.440 nan 8.360 nan 0.000 0.467 3239 K N -0.129 120.257 120.400 -0.023 0.000 2.354 3239 K HA 0.187 4.506 4.320 -0.000 0.000 0.194 3239 K C 0.558 177.140 176.600 -0.031 0.000 1.045 3239 K CA 0.098 56.370 56.287 -0.024 0.000 1.026 3239 K CB 1.348 33.836 32.500 -0.020 0.000 0.866 3239 K HN -0.098 nan 8.250 nan 0.000 0.530 3240 V N 1.498 121.388 119.914 -0.040 0.000 2.962 3240 V HA 0.135 4.254 4.120 -0.000 0.000 0.313 3240 V C -1.041 175.010 176.094 -0.071 0.000 1.099 3240 V CA -1.219 61.047 62.300 -0.056 0.000 0.971 3240 V CB 2.422 34.207 31.823 -0.064 0.000 1.028 3240 V HN 0.001 nan 8.190 nan 0.000 0.430 3241 D N 2.649 122.991 120.400 -0.097 0.000 2.435 3241 D HA 0.241 4.881 4.640 -0.000 0.000 0.230 3241 D C -0.408 175.754 176.300 -0.229 0.000 1.215 3241 D CA 0.218 54.141 54.000 -0.128 0.000 0.947 3241 D CB 0.500 41.224 40.800 -0.127 0.000 1.048 3241 D HN 0.203 nan 8.370 nan 0.000 0.512 3242 V N 5.016 124.842 119.914 -0.147 0.000 2.465 3242 V HA 0.104 4.223 4.120 -0.000 0.000 0.279 3242 V C 1.168 177.233 176.094 -0.050 0.000 1.045 3242 V CA -0.453 61.762 62.300 -0.142 0.000 0.938 3242 V CB 1.420 33.195 31.823 -0.079 0.000 0.986 3242 V HN 0.589 nan 8.190 nan 0.000 0.467 3243 H N 2.963 122.009 119.070 -0.039 0.000 2.451 3243 H HA 0.564 5.120 4.556 -0.000 0.000 0.294 3243 H C 0.640 175.945 175.328 -0.038 0.000 1.028 3243 H CA 1.001 57.028 56.048 -0.034 0.000 1.349 3243 H CB 0.750 30.492 29.762 -0.032 0.000 1.444 3243 H HN 0.730 nan 8.280 nan 0.000 0.538 3244 A N 0.083 122.948 122.820 0.075 0.000 2.599 3244 A HA 0.587 4.907 4.320 -0.000 0.000 0.294 3244 A C -1.464 176.098 177.584 -0.036 0.000 1.055 3244 A CA -0.567 51.477 52.037 0.012 0.000 0.683 3244 A CB 1.003 20.008 19.000 0.008 0.000 1.278 3244 A HN 0.074 nan 8.150 nan 0.000 0.412 3245 I N 0.460 120.999 120.570 -0.051 0.000 2.619 3245 I HA 0.662 4.831 4.170 -0.000 0.000 0.292 3245 I C 0.067 176.139 176.117 -0.076 0.000 1.100 3245 I CA -0.682 60.567 61.300 -0.085 0.000 1.043 3245 I CB 2.317 40.265 38.000 -0.087 0.000 1.239 3245 I HN 0.895 nan 8.210 nan 0.000 0.420 3246 A N 3.644 126.400 122.820 -0.107 0.000 2.335 3246 A HA 0.580 4.900 4.320 -0.000 0.000 0.304 3246 A C -1.282 176.263 177.584 -0.066 0.000 1.118 3246 A CA -0.435 51.549 52.037 -0.087 0.000 0.757 3246 A CB 0.680 19.602 19.000 -0.130 0.000 1.188 3246 A HN 0.736 nan 8.150 nan 0.000 0.460 3247 H N 3.059 122.059 119.070 -0.116 0.000 2.652 3247 H HA 0.445 5.000 4.556 -0.000 0.000 0.298 3247 H C -0.615 174.662 175.328 -0.085 0.000 1.076 3247 H CA -0.732 55.266 56.048 -0.084 0.000 1.360 3247 H CB 0.456 30.210 29.762 -0.013 0.000 1.421 3247 H HN 0.518 nan 8.280 nan 0.000 0.464 3248 L N 6.803 127.878 121.223 -0.247 0.000 2.401 3248 L HA 0.152 4.492 4.340 -0.000 0.000 0.283 3248 L C 0.899 177.579 176.870 -0.315 0.000 1.151 3248 L CA -0.194 54.465 54.840 -0.301 0.000 0.942 3248 L CB -0.407 41.435 42.059 -0.362 0.000 1.283 3248 L HN 0.753 nan 8.230 nan 0.000 0.442 3249 T N -0.842 113.548 114.554 -0.274 0.000 2.747 3249 T HA 0.364 4.713 4.350 -0.000 0.000 0.236 3249 T C 0.808 175.466 174.700 -0.070 0.000 1.046 3249 T CA -0.154 61.838 62.100 -0.179 0.000 1.054 3249 T CB 0.084 68.855 68.868 -0.162 0.000 2.287 3249 T HN 0.396 nan 8.240 nan 0.000 0.523 3250 G N -0.547 108.236 108.800 -0.027 0.000 2.272 3250 G HA2 0.391 4.351 3.960 -0.000 0.000 0.247 3250 G HA3 0.391 4.351 3.960 -0.000 0.000 0.247 3250 G C 1.119 176.019 174.900 0.000 0.000 1.272 3250 G CA 0.069 45.165 45.100 -0.007 0.000 0.921 3250 G HN 1.833 nan 8.290 nan 0.000 0.495 3251 G N 1.107 109.914 108.800 0.011 0.000 2.232 3251 G HA2 0.146 4.106 3.960 -0.000 0.000 0.226 3251 G HA3 0.146 4.106 3.960 -0.000 0.000 0.226 3251 G C 1.566 176.511 174.900 0.075 0.000 0.996 3251 G CA 0.756 45.894 45.100 0.063 0.000 0.626 3251 G HN 2.642 nan 8.290 nan 0.000 0.509 3252 G N -0.109 108.696 108.800 0.009 0.000 2.611 3252 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.301 3252 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.301 3252 G C 0.849 175.718 174.900 -0.052 0.000 1.233 3252 G CA 1.059 46.165 45.100 0.010 0.000 0.993 3252 G HN 0.989 nan 8.290 nan 0.000 0.553 3253 F N 0.222 119.948 119.950 -0.373 0.000 2.163 3253 F HA 0.172 4.699 4.527 -0.000 0.000 0.297 3253 F C 2.790 178.353 175.800 -0.396 0.000 1.094 3253 F CA 2.060 59.757 58.000 -0.504 0.000 1.290 3253 F CB -0.705 37.777 39.000 -0.862 0.000 1.017 3253 F HN 0.462 nan 8.300 nan 0.000 0.483 3254 W N 0.141 121.544 121.300 0.171 0.000 2.374 3254 W HA -0.134 4.525 4.660 -0.000 0.000 0.288 3254 W C 2.271 178.833 176.519 0.070 0.000 1.218 3254 W CA 1.035 58.440 57.345 0.100 0.000 1.245 3254 W CB -0.445 29.055 29.460 0.067 0.000 1.126 3254 W HN 0.017 nan 8.180 nan 0.000 0.545 3255 E N 0.189 120.516 120.200 0.212 0.000 2.201 3255 E HA -0.059 4.290 4.350 -0.000 0.000 0.193 3255 E C 1.780 178.411 176.600 0.052 0.000 0.957 3255 E CA 0.949 57.425 56.400 0.127 0.000 0.858 3255 E CB -0.402 29.361 29.700 0.106 0.000 0.816 3255 E HN 0.026 nan 8.360 nan 0.000 0.475 3256 N N 0.323 119.020 118.700 -0.005 0.000 2.368 3256 N HA 0.024 4.764 4.740 -0.000 0.000 0.176 3256 N C 1.824 177.293 175.510 -0.069 0.000 1.021 3256 N CA 0.841 53.860 53.050 -0.051 0.000 0.888 3256 N CB 0.229 38.653 38.487 -0.106 0.000 0.995 3256 N HN 0.267 nan 8.380 nan 0.000 0.437 3257 I N 1.571 122.089 120.570 -0.086 0.000 2.252 3257 I HA -0.120 4.049 4.170 -0.000 0.000 0.245 3257 I C -0.766 175.338 176.117 -0.023 0.000 1.102 3257 I CA 1.036 62.285 61.300 -0.084 0.000 1.385 3257 I CB -1.202 36.741 38.000 -0.095 0.000 1.064 3257 I HN -0.021 nan 8.210 nan 0.000 0.414 3258 P HA -0.098 nan 4.420 nan 0.000 0.222 3258 P C 1.351 178.663 177.300 0.021 0.000 1.147 3258 P CA 1.111 64.233 63.100 0.036 0.000 0.790 3258 P CB -0.090 31.653 31.700 0.072 0.000 0.780 3259 R N -0.390 120.117 120.500 0.011 0.000 2.189 3259 R HA -0.021 4.319 4.340 -0.000 0.000 0.223 3259 R C 1.536 177.835 176.300 -0.001 0.000 1.092 3259 R CA 1.372 57.477 56.100 0.008 0.000 0.989 3259 R CB -0.468 29.836 30.300 0.007 0.000 0.876 3259 R HN 0.239 nan 8.270 nan 0.000 0.457 3260 V N -2.396 117.512 119.914 -0.010 0.000 3.528 3260 V HA 0.291 4.411 4.120 -0.000 0.000 0.294 3260 V C 0.431 176.517 176.094 -0.012 0.000 1.404 3260 V CA -0.070 62.221 62.300 -0.015 0.000 1.065 3260 V CB -0.005 31.802 31.823 -0.028 0.000 0.904 3260 V HN -0.047 nan 8.190 nan 0.000 0.435 3261 L N 2.244 123.464 121.223 -0.006 0.000 2.292 3261 L HA 0.570 4.910 4.340 -0.000 0.000 0.284 3261 L C -2.089 174.780 176.870 -0.002 0.000 1.065 3261 L CA -1.598 53.240 54.840 -0.003 0.000 0.806 3261 L CB 1.483 43.547 42.059 0.009 0.000 1.175 3261 L HN 0.142 nan 8.230 nan 0.000 0.431 3262 P HA 0.197 nan 4.420 nan 0.000 0.282 3262 P C -1.233 176.065 177.300 -0.003 0.000 1.287 3262 P CA -0.707 62.386 63.100 -0.011 0.000 0.792 3262 P CB 0.554 32.239 31.700 -0.025 0.000 1.163 3263 D N 0.678 121.076 120.400 -0.003 0.000 2.372 3263 D HA 0.025 4.665 4.640 -0.000 0.000 0.243 3263 D C 0.792 177.093 176.300 0.001 0.000 1.121 3263 D CA 0.470 54.471 54.000 0.002 0.000 0.898 3263 D CB -0.224 40.577 40.800 0.002 0.000 1.202 3263 D HN 0.537 nan 8.370 nan 0.000 0.428 3264 N N 0.156 118.860 118.700 0.007 0.000 2.869 3264 N HA -0.179 4.560 4.740 -0.000 0.000 0.249 3264 N C -1.084 174.432 175.510 0.009 0.000 1.104 3264 N CA 0.582 53.636 53.050 0.007 0.000 0.760 3264 N CB -0.837 37.652 38.487 0.003 0.000 1.108 3264 N HN 0.563 nan 8.380 nan 0.000 0.555 3265 T N -1.917 112.645 114.554 0.013 0.000 2.906 3265 T HA 0.593 4.943 4.350 -0.000 0.000 0.295 3265 T C -0.709 174.007 174.700 0.027 0.000 1.061 3265 T CA -0.713 61.397 62.100 0.015 0.000 1.000 3265 T CB 2.556 71.428 68.868 0.007 0.000 1.103 3265 T HN 0.278 nan 8.240 nan 0.000 0.486 3266 Q N 0.635 120.454 119.800 0.031 0.000 2.268 3266 Q HA 0.610 4.949 4.340 -0.000 0.000 0.266 3266 Q C -1.703 174.324 176.000 0.044 0.000 1.006 3266 Q CA -0.964 54.867 55.803 0.046 0.000 0.824 3266 Q CB 2.035 30.803 28.738 0.051 0.000 1.306 3266 Q HN 1.097 nan 8.270 nan 0.000 0.424 3267 A N 3.410 126.261 122.820 0.051 0.000 2.269 3267 A HA 0.544 4.863 4.320 -0.000 0.000 0.302 3267 A C -0.669 176.952 177.584 0.063 0.000 1.266 3267 A CA -0.413 51.649 52.037 0.041 0.000 0.894 3267 A CB 0.708 19.721 19.000 0.022 0.000 1.147 3267 A HN 0.471 nan 8.150 nan 0.000 0.537 3268 V N 5.544 125.493 119.914 0.058 0.000 2.304 3268 V HA 0.187 4.306 4.120 -0.000 0.000 0.269 3268 V C -0.066 176.078 176.094 0.083 0.000 1.036 3268 V CA -0.500 61.844 62.300 0.075 0.000 0.840 3268 V CB 0.594 32.458 31.823 0.067 0.000 1.036 3268 V HN 0.681 nan 8.190 nan 0.000 0.466 3269 I N 3.624 124.253 120.570 0.098 0.000 2.441 3269 I HA 0.230 4.400 4.170 -0.000 0.000 0.287 3269 I C 0.287 176.516 176.117 0.187 0.000 1.049 3269 I CA 0.073 61.459 61.300 0.142 0.000 1.381 3269 I CB 1.154 39.233 38.000 0.131 0.000 1.409 3269 I HN 0.575 nan 8.210 nan 0.000 0.523 3270 D N 5.793 126.348 120.400 0.259 0.000 2.428 3270 D HA 0.095 4.735 4.640 -0.000 0.000 0.221 3270 D C 0.939 177.481 176.300 0.404 0.000 1.123 3270 D CA -0.129 54.028 54.000 0.262 0.000 0.869 3270 D CB 0.676 41.613 40.800 0.229 0.000 1.032 3270 D HN 0.477 nan 8.370 nan 0.000 0.506 3271 E N 1.380 121.726 120.200 0.244 0.000 2.401 3271 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 3271 E C 1.315 177.850 176.600 -0.109 0.000 1.023 3271 E CA 0.609 57.032 56.400 0.040 0.000 0.859 3271 E CB 0.354 30.042 29.700 -0.021 0.000 0.780 3271 E HN 0.528 nan 8.360 nan 0.000 0.523 3272 S N -0.540 115.183 115.700 0.039 0.000 2.501 3272 S HA -0.057 4.413 4.470 -0.000 0.000 0.220 3272 S C 1.940 176.586 174.600 0.077 0.000 0.997 3272 S CA 0.628 58.825 58.200 -0.006 0.000 0.919 3272 S CB 0.143 63.350 63.200 0.011 0.000 0.778 3272 S HN 0.187 nan 8.310 nan 0.000 0.523 3273 S N 0.328 116.192 115.700 0.273 0.000 2.469 3273 S HA 0.056 4.525 4.470 -0.000 0.000 0.238 3273 S C 0.365 175.094 174.600 0.216 0.000 0.998 3273 S CA 0.268 58.674 58.200 0.343 0.000 0.957 3273 S CB -0.856 62.696 63.200 0.587 0.000 0.764 3273 S HN 0.959 nan 8.310 nan 0.000 0.514 3274 W N 0.724 121.953 121.300 -0.119 0.000 3.025 3274 W HA 0.617 5.277 4.660 -0.000 0.000 0.343 3274 W C -1.886 174.565 176.519 -0.114 0.000 1.246 3274 W CA -1.163 55.994 57.345 -0.313 0.000 1.178 3274 W CB 0.640 29.717 29.460 -0.638 0.000 1.463 3274 W HN 0.047 nan 8.180 nan 0.000 0.578 3275 Q N 1.719 121.359 119.800 -0.267 0.000 2.365 3275 Q HA 0.370 4.709 4.340 -0.000 0.000 0.269 3275 Q C -1.083 174.923 176.000 0.010 0.000 1.061 3275 Q CA -0.812 54.799 55.803 -0.320 0.000 0.816 3275 Q CB 1.864 30.496 28.738 -0.176 0.000 1.325 3275 Q HN 0.505 nan 8.270 nan 0.000 0.446 3276 W N 2.378 123.567 121.300 -0.185 0.000 2.251 3276 W HA 0.252 4.912 4.660 -0.000 0.000 0.327 3276 W C -2.187 174.436 176.519 0.173 0.000 1.361 3276 W CA -1.928 55.463 57.345 0.076 0.000 1.234 3276 W CB -0.706 28.771 29.460 0.030 0.000 1.212 3276 W HN 0.509 nan 8.180 nan 0.000 0.557 3277 P HA -0.093 nan 4.420 nan 0.000 0.266 3277 P C 0.988 178.447 177.300 0.265 0.000 1.195 3277 P CA 0.220 63.527 63.100 0.345 0.000 0.768 3277 P CB 0.738 32.656 31.700 0.363 0.000 0.838 3278 E N 2.576 122.860 120.200 0.140 0.000 2.253 3278 E HA -0.206 4.144 4.350 -0.000 0.000 0.202 3278 E C 1.346 177.915 176.600 -0.050 0.000 1.014 3278 E CA 1.538 57.967 56.400 0.048 0.000 0.823 3278 E CB -0.921 28.772 29.700 -0.012 0.000 0.736 3278 E HN 0.213 nan 8.360 nan 0.000 0.478 3279 V N -0.190 119.602 119.914 -0.204 0.000 2.287 3279 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 3279 V C 2.083 177.979 176.094 -0.330 0.000 1.053 3279 V CA 2.108 64.176 62.300 -0.387 0.000 1.027 3279 V CB -0.882 30.590 31.823 -0.585 0.000 0.646 3279 V HN 0.183 nan 8.190 nan 0.000 0.447 3280 F N 0.975 120.865 119.950 -0.099 0.000 2.186 3280 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 3280 F C 2.406 178.204 175.800 -0.004 0.000 1.090 3280 F CA 1.280 59.141 58.000 -0.232 0.000 1.307 3280 F CB -0.933 37.828 39.000 -0.399 0.000 1.019 3280 F HN 0.157 nan 8.300 nan 0.000 0.489 3281 N N -0.763 118.131 118.700 0.324 0.000 2.084 3281 N HA -0.225 4.515 4.740 -0.000 0.000 0.190 3281 N C 1.724 177.311 175.510 0.130 0.000 1.030 3281 N CA 1.263 54.474 53.050 0.267 0.000 0.849 3281 N CB -0.952 37.646 38.487 0.185 0.000 1.012 3281 N HN 0.452 nan 8.380 nan 0.000 0.423 3282 W N 1.897 123.159 121.300 -0.064 0.000 2.358 3282 W HA -0.033 4.627 4.660 -0.000 0.000 0.303 3282 W C 1.946 178.406 176.519 -0.099 0.000 1.208 3282 W CA 1.007 58.293 57.345 -0.099 0.000 1.274 3282 W CB -0.377 28.985 29.460 -0.164 0.000 1.138 3282 W HN -0.020 nan 8.180 nan 0.000 0.515 3283 L N 0.181 121.467 121.223 0.104 0.000 2.046 3283 L HA -0.276 4.064 4.340 -0.000 0.000 0.208 3283 L C 2.755 179.533 176.870 -0.153 0.000 1.077 3283 L CA 1.941 56.740 54.840 -0.068 0.000 0.747 3283 L CB -1.085 40.841 42.059 -0.221 0.000 0.896 3283 L HN 0.144 nan 8.230 nan 0.000 0.432 3284 Q N -0.498 119.264 119.800 -0.063 0.000 2.079 3284 Q HA -0.189 4.150 4.340 -0.000 0.000 0.200 3284 Q C 2.018 177.972 176.000 -0.076 0.000 0.974 3284 Q CA 2.061 57.865 55.803 0.000 0.000 0.840 3284 Q CB 0.069 28.901 28.738 0.157 0.000 0.898 3284 Q HN 0.427 nan 8.270 nan 0.000 0.430 3285 T N 0.235 114.693 114.554 -0.160 0.000 2.857 3285 T HA -0.011 4.339 4.350 -0.000 0.000 0.266 3285 T C 1.658 176.176 174.700 -0.304 0.000 1.048 3285 T CA 1.036 63.012 62.100 -0.207 0.000 1.139 3285 T CB -0.161 68.570 68.868 -0.229 0.000 0.874 3285 T HN 0.418 nan 8.240 nan 0.000 0.455 3286 A N 0.784 123.294 122.820 -0.516 0.000 2.067 3286 A HA 0.341 4.661 4.320 -0.000 0.000 0.217 3286 A C 2.196 179.608 177.584 -0.287 0.000 1.156 3286 A CA 1.269 52.968 52.037 -0.563 0.000 0.683 3286 A CB -0.440 17.867 19.000 -1.155 0.000 0.808 3286 A HN 0.505 nan 8.150 nan 0.000 0.455 3287 G N -1.844 106.841 108.800 -0.192 0.000 3.377 3287 G HA2 0.280 4.240 3.960 -0.000 0.000 0.257 3287 G HA3 0.280 4.240 3.960 -0.000 0.000 0.257 3287 G C 0.289 175.165 174.900 -0.040 0.000 1.038 3287 G CA 0.276 45.330 45.100 -0.077 0.000 0.809 3287 G HN 0.410 nan 8.290 nan 0.000 0.526 3288 N N -0.233 118.432 118.700 -0.059 0.000 2.714 3288 N HA -0.175 4.565 4.740 -0.000 0.000 0.252 3288 N C 0.089 175.609 175.510 0.017 0.000 1.014 3288 N CA 0.366 53.402 53.050 -0.024 0.000 0.735 3288 N CB -0.814 37.659 38.487 -0.022 0.000 0.924 3288 N HN 0.139 nan 8.380 nan 0.000 0.540 3289 V N 0.315 120.249 119.914 0.035 0.000 2.637 3289 V HA 0.072 4.192 4.120 -0.000 0.000 0.296 3289 V C 1.078 177.236 176.094 0.107 0.000 1.046 3289 V CA 0.002 62.349 62.300 0.078 0.000 1.066 3289 V CB 1.193 33.080 31.823 0.106 0.000 0.968 3289 V HN 0.209 nan 8.190 nan 0.000 0.483 3290 E N 2.478 122.753 120.200 0.125 0.000 2.371 3290 E HA 0.117 4.466 4.350 -0.000 0.000 0.257 3290 E C 1.010 177.757 176.600 0.245 0.000 1.134 3290 E CA -0.517 55.984 56.400 0.169 0.000 0.919 3290 E CB 0.697 30.486 29.700 0.149 0.000 1.025 3290 E HN 0.724 nan 8.360 nan 0.000 0.438 3291 H N 1.928 121.128 119.070 0.216 0.000 2.265 3291 H HA -0.246 4.310 4.556 -0.000 0.000 0.293 3291 H C 1.888 177.485 175.328 0.447 0.000 1.089 3291 H CA 2.169 58.412 56.048 0.325 0.000 1.244 3291 H CB 0.001 29.942 29.762 0.298 0.000 1.355 3291 H HN 0.632 nan 8.280 nan 0.000 0.485 3292 H N 0.284 119.626 119.070 0.454 0.000 2.353 3292 H HA -0.126 4.429 4.556 -0.000 0.000 0.300 3292 H C 2.287 177.838 175.328 0.372 0.000 1.090 3292 H CA 1.832 58.122 56.048 0.404 0.000 1.327 3292 H CB 0.152 29.942 29.762 0.048 0.000 1.383 3292 H HN 0.427 nan 8.280 nan 0.000 0.508 3293 E N 0.357 120.726 120.200 0.281 0.000 2.110 3293 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 3293 E C 2.357 179.026 176.600 0.115 0.000 0.988 3293 E CA 1.073 57.581 56.400 0.180 0.000 0.804 3293 E CB -0.206 29.582 29.700 0.146 0.000 0.745 3293 E HN 0.322 nan 8.360 nan 0.000 0.458 3294 M N -0.468 119.174 119.600 0.070 0.000 2.117 3294 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 3294 M C 1.633 177.790 176.300 -0.239 0.000 1.065 3294 M CA 1.408 56.659 55.300 -0.082 0.000 1.114 3294 M CB -0.770 31.647 32.600 -0.303 0.000 1.361 3294 M HN 0.234 nan 8.290 nan 0.000 0.408 3295 Y N -0.474 119.775 120.300 -0.084 0.000 2.561 3295 Y HA -0.051 4.498 4.550 -0.000 0.000 0.291 3295 Y C 2.539 178.371 175.900 -0.114 0.000 1.141 3295 Y CA 0.922 58.872 58.100 -0.250 0.000 1.303 3295 Y CB -0.518 37.667 38.460 -0.459 0.000 1.015 3295 Y HN 0.245 nan 8.280 nan 0.000 0.547 3296 R N -0.976 119.675 120.500 0.251 0.000 2.087 3296 R HA -0.042 4.298 4.340 -0.000 0.000 0.216 3296 R C 1.617 177.940 176.300 0.039 0.000 1.114 3296 R CA 1.635 57.899 56.100 0.274 0.000 1.002 3296 R CB -0.230 30.233 30.300 0.272 0.000 0.903 3296 R HN 0.083 nan 8.270 nan 0.000 0.445 3297 T N 0.366 114.859 114.554 -0.102 0.000 2.894 3297 T HA 0.124 4.473 4.350 -0.000 0.000 0.258 3297 T C -0.038 174.336 174.700 -0.543 0.000 1.043 3297 T CA 0.814 62.686 62.100 -0.379 0.000 1.141 3297 T CB -0.023 68.487 68.868 -0.596 0.000 0.873 3297 T HN -0.026 nan 8.240 nan 0.000 0.449 3298 F N 2.019 121.914 119.950 -0.092 0.000 2.483 3298 F HA 0.382 4.909 4.527 -0.000 0.000 0.329 3298 F C 1.581 177.231 175.800 -0.249 0.000 1.064 3298 F CA -1.627 56.289 58.000 -0.141 0.000 0.986 3298 F CB 0.778 39.693 39.000 -0.142 0.000 1.218 3298 F HN 0.003 nan 8.300 nan 0.000 0.484 3299 N N -0.543 118.118 118.700 -0.066 0.000 2.457 3299 N HA -0.107 4.633 4.740 -0.000 0.000 0.180 3299 N C 0.401 175.743 175.510 -0.280 0.000 1.050 3299 N CA 0.761 53.742 53.050 -0.114 0.000 0.906 3299 N CB -0.209 38.202 38.487 -0.127 0.000 0.968 3299 N HN 0.610 nan 8.380 nan 0.000 0.445 3300 C N 0.085 118.663 119.300 -1.205 0.000 4.331 3300 C HA -0.095 4.364 4.460 -0.000 0.000 0.293 3300 C C 1.574 176.252 174.990 -0.520 0.000 1.436 3300 C CA 0.438 58.501 59.018 -1.592 0.000 1.993 3300 C CB -2.298 24.674 27.740 -1.280 0.000 1.266 3300 C HN 0.889 nan 8.230 nan 0.000 0.795 3301 G N -2.466 106.155 108.800 -0.299 0.000 2.179 3301 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.220 3301 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.220 3301 G C -0.201 174.839 174.900 0.232 0.000 0.990 3301 G CA 0.141 45.398 45.100 0.262 0.000 0.646 3301 G HN 1.340 nan 8.290 nan 0.000 0.517 3302 V N 1.439 121.389 119.914 0.060 0.000 2.326 3302 V HA 0.649 4.769 4.120 -0.000 0.000 0.281 3302 V C 1.434 177.432 176.094 -0.161 0.000 1.015 3302 V CA 0.348 62.585 62.300 -0.106 0.000 0.823 3302 V CB 0.846 32.493 31.823 -0.292 0.000 1.009 3302 V HN 0.468 nan 8.190 nan 0.000 0.436 3303 G N 4.452 113.227 108.800 -0.042 0.000 2.396 3303 G HA2 0.120 4.080 3.960 -0.000 0.000 0.214 3303 G HA3 0.120 4.080 3.960 -0.000 0.000 0.214 3303 G C 0.468 175.340 174.900 -0.047 0.000 1.166 3303 G CA 0.378 45.566 45.100 0.148 0.000 0.793 3303 G HN 0.487 nan 8.290 nan 0.000 0.533 3304 M N -0.062 119.324 119.600 -0.357 0.000 2.501 3304 M HA 0.503 4.982 4.480 -0.000 0.000 0.293 3304 M C -1.660 174.371 176.300 -0.448 0.000 1.192 3304 M CA -0.469 54.599 55.300 -0.386 0.000 0.886 3304 M CB 3.211 35.489 32.600 -0.535 0.000 1.710 3304 M HN -0.160 nan 8.290 nan 0.000 0.457 3305 I N 3.019 123.362 120.570 -0.378 0.000 2.498 3305 I HA 0.542 4.712 4.170 -0.000 0.000 0.290 3305 I C -1.104 174.848 176.117 -0.275 0.000 1.032 3305 I CA -0.694 60.378 61.300 -0.381 0.000 1.073 3305 I CB 2.189 39.952 38.000 -0.395 0.000 1.251 3305 I HN 0.593 nan 8.210 nan 0.000 0.426 3306 I N 5.046 125.461 120.570 -0.258 0.000 2.465 3306 I HA 0.553 4.723 4.170 -0.000 0.000 0.291 3306 I C -0.069 175.962 176.117 -0.143 0.000 1.014 3306 I CA -0.605 60.584 61.300 -0.184 0.000 1.093 3306 I CB 2.095 39.985 38.000 -0.184 0.000 1.267 3306 I HN 0.560 nan 8.210 nan 0.000 0.431 3307 A N 8.139 130.905 122.820 -0.090 0.000 2.288 3307 A HA 0.923 5.243 4.320 -0.000 0.000 0.320 3307 A C -0.628 176.932 177.584 -0.041 0.000 1.217 3307 A CA -0.414 51.598 52.037 -0.042 0.000 0.840 3307 A CB 0.840 19.844 19.000 0.007 0.000 1.179 3307 A HN 0.769 nan 8.150 nan 0.000 0.504 3308 L N -0.180 120.996 121.223 -0.078 0.000 2.568 3308 L HA 0.780 5.120 4.340 -0.000 0.000 0.257 3308 L C -3.206 173.581 176.870 -0.137 0.000 1.024 3308 L CA -2.638 52.068 54.840 -0.224 0.000 0.854 3308 L CB 1.815 43.743 42.059 -0.218 0.000 1.460 3308 L HN 0.263 nan 8.230 nan 0.000 0.409 3309 P HA 0.154 nan 4.420 nan 0.000 0.268 3309 P C 0.371 177.646 177.300 -0.042 0.000 1.205 3309 P CA 0.257 63.326 63.100 -0.052 0.000 0.771 3309 P CB 1.285 32.952 31.700 -0.055 0.000 0.858 3310 A N 5.761 128.575 122.820 -0.009 0.000 1.948 3310 A HA -0.154 4.165 4.320 -0.000 0.000 0.220 3310 A C -0.467 177.109 177.584 -0.013 0.000 1.177 3310 A CA 1.995 54.027 52.037 -0.008 0.000 0.636 3310 A CB -2.415 16.589 19.000 0.007 0.000 0.815 3310 A HN 0.512 nan 8.150 nan 0.000 0.449 3311 P HA -0.074 nan 4.420 nan 0.000 0.223 3311 P C 0.951 178.236 177.300 -0.025 0.000 1.151 3311 P CA 0.855 63.947 63.100 -0.014 0.000 0.787 3311 P CB 0.109 31.803 31.700 -0.010 0.000 0.788 3312 E N -0.997 119.177 120.200 -0.043 0.000 2.478 3312 E HA 0.013 4.363 4.350 -0.000 0.000 0.194 3312 E C 1.886 178.456 176.600 -0.049 0.000 1.045 3312 E CA 0.272 56.639 56.400 -0.055 0.000 0.868 3312 E CB -0.445 29.200 29.700 -0.092 0.000 0.885 3312 E HN 0.127 nan 8.360 nan 0.000 0.505 3313 V N 1.995 121.885 119.914 -0.040 0.000 2.332 3313 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 3313 V C 1.825 177.908 176.094 -0.017 0.000 1.055 3313 V CA 1.940 64.221 62.300 -0.032 0.000 1.038 3313 V CB -0.324 31.487 31.823 -0.020 0.000 0.651 3313 V HN 0.157 nan 8.190 nan 0.000 0.450 3314 D N -0.048 120.347 120.400 -0.009 0.000 2.117 3314 D HA -0.126 4.513 4.640 -0.000 0.000 0.198 3314 D C 2.256 178.555 176.300 -0.002 0.000 0.982 3314 D CA 1.149 55.150 54.000 0.001 0.000 0.828 3314 D CB -0.105 40.697 40.800 0.005 0.000 0.967 3314 D HN 0.440 nan 8.370 nan 0.000 0.464 3315 K N 0.758 121.152 120.400 -0.011 0.000 2.103 3315 K HA 0.012 4.331 4.320 -0.000 0.000 0.204 3315 K C 2.132 178.723 176.600 -0.016 0.000 1.052 3315 K CA 0.856 57.135 56.287 -0.012 0.000 0.945 3315 K CB 0.061 32.550 32.500 -0.018 0.000 0.722 3315 K HN -0.015 nan 8.250 nan 0.000 0.443 3316 A N 1.339 124.143 122.820 -0.027 0.000 1.841 3316 A HA -0.155 4.165 4.320 -0.000 0.000 0.214 3316 A C 2.003 179.574 177.584 -0.022 0.000 1.195 3316 A CA 1.200 53.215 52.037 -0.036 0.000 0.611 3316 A CB -0.621 18.344 19.000 -0.057 0.000 0.835 3316 A HN 0.104 nan 8.150 nan 0.000 0.443 3317 L N -0.331 120.884 121.223 -0.013 0.000 2.127 3317 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 3317 L C 2.873 179.757 176.870 0.024 0.000 1.089 3317 L CA 1.880 56.726 54.840 0.010 0.000 0.757 3317 L CB -1.136 40.938 42.059 0.026 0.000 0.899 3317 L HN 0.445 nan 8.230 nan 0.000 0.434 3318 A N -1.191 121.639 122.820 0.017 0.000 1.872 3318 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 3318 A C 2.197 179.791 177.584 0.017 0.000 1.187 3318 A CA 1.250 53.299 52.037 0.020 0.000 0.614 3318 A CB -0.698 18.310 19.000 0.014 0.000 0.826 3318 A HN 0.336 nan 8.150 nan 0.000 0.442 3319 L N -0.027 121.201 121.223 0.008 0.000 1.970 3319 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 3319 L C 2.367 179.244 176.870 0.012 0.000 1.071 3319 L CA 2.148 56.991 54.840 0.005 0.000 0.751 3319 L CB -1.020 41.036 42.059 -0.005 0.000 0.889 3319 L HN 0.439 nan 8.230 nan 0.000 0.432 3320 L N 0.307 121.536 121.223 0.010 0.000 2.046 3320 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 3320 L C 2.279 179.175 176.870 0.043 0.000 1.077 3320 L CA 1.354 56.206 54.840 0.020 0.000 0.747 3320 L CB -0.629 41.431 42.059 0.001 0.000 0.896 3320 L HN 0.390 nan 8.230 nan 0.000 0.432 3321 N N -0.276 118.454 118.700 0.049 0.000 2.494 3321 N HA -0.022 4.718 4.740 -0.000 0.000 0.182 3321 N C 1.579 177.120 175.510 0.051 0.000 1.076 3321 N CA 1.058 54.146 53.050 0.065 0.000 0.908 3321 N CB 0.170 38.701 38.487 0.074 0.000 0.967 3321 N HN 0.286 nan 8.380 nan 0.000 0.449 3322 A N 0.181 123.024 122.820 0.038 0.000 2.178 3322 A HA 0.130 4.450 4.320 -0.000 0.000 0.211 3322 A C 0.279 177.880 177.584 0.029 0.000 1.157 3322 A CA 0.284 52.339 52.037 0.030 0.000 0.780 3322 A CB -0.038 18.976 19.000 0.022 0.000 0.828 3322 A HN 0.175 nan 8.150 nan 0.000 0.476 3323 N N -0.798 117.922 118.700 0.033 0.000 2.844 3323 N HA 0.431 5.170 4.740 -0.000 0.000 0.268 3323 N C 0.687 176.222 175.510 0.042 0.000 1.574 3323 N CA 0.456 53.525 53.050 0.031 0.000 0.838 3323 N CB 1.122 39.623 38.487 0.023 0.000 1.177 3323 N HN 0.277 nan 8.380 nan 0.000 0.495 3324 G N -0.135 108.692 108.800 0.045 0.000 2.270 3324 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.268 3324 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.268 3324 G C 0.154 175.104 174.900 0.084 0.000 0.982 3324 G CA 0.465 45.598 45.100 0.054 0.000 0.628 3324 G HN 0.399 nan 8.290 nan 0.000 0.544 3325 E N 0.322 120.580 120.200 0.098 0.000 2.283 3325 E HA 0.306 4.655 4.350 -0.000 0.000 0.267 3325 E C -0.096 176.594 176.600 0.150 0.000 1.045 3325 E CA -0.736 55.748 56.400 0.138 0.000 0.884 3325 E CB 0.865 30.641 29.700 0.126 0.000 1.106 3325 E HN 0.375 nan 8.360 nan 0.000 0.408 3326 N N 0.795 119.619 118.700 0.207 0.000 2.936 3326 N HA 0.304 5.044 4.740 -0.000 0.000 0.243 3326 N C -1.337 174.398 175.510 0.375 0.000 1.149 3326 N CA -0.169 53.040 53.050 0.265 0.000 0.914 3326 N CB 0.507 39.164 38.487 0.283 0.000 1.179 3326 N HN 0.379 nan 8.380 nan 0.000 0.502 3327 A N 2.622 125.603 122.820 0.269 0.000 2.294 3327 A HA 0.743 5.063 4.320 -0.000 0.000 0.330 3327 A C -1.210 176.593 177.584 0.364 0.000 1.133 3327 A CA -0.600 51.544 52.037 0.178 0.000 0.836 3327 A CB 0.546 19.552 19.000 0.010 0.000 1.190 3327 A HN 0.755 nan 8.150 nan 0.000 0.492 3328 W N 0.407 121.693 121.300 -0.022 0.000 3.153 3328 W HA 0.549 5.209 4.660 -0.000 0.000 0.316 3328 W C -0.942 175.566 176.519 -0.019 0.000 1.255 3328 W CA -0.822 56.523 57.345 0.000 0.000 1.192 3328 W CB 0.937 30.421 29.460 0.040 0.000 1.400 3328 W HN 0.662 nan 8.180 nan 0.000 0.568 3329 K N 2.930 123.421 120.400 0.152 0.000 2.315 3329 K HA 0.196 4.515 4.320 -0.000 0.000 0.291 3329 K C 0.160 176.830 176.600 0.117 0.000 1.074 3329 K CA -0.167 56.145 56.287 0.043 0.000 0.936 3329 K CB 0.498 33.054 32.500 0.093 0.000 1.049 3329 K HN 0.797 nan 8.250 nan 0.000 0.471 3330 I N 2.659 123.162 120.570 -0.111 0.000 3.228 3330 I HA 0.134 4.304 4.170 -0.000 0.000 0.279 3330 I C 0.638 176.817 176.117 0.102 0.000 1.221 3330 I CA 0.560 61.865 61.300 0.008 0.000 1.458 3330 I CB 0.398 38.202 38.000 -0.326 0.000 1.105 3330 I HN 0.856 nan 8.210 nan 0.000 0.445 3331 G N 0.725 109.548 108.800 0.039 0.000 2.335 3331 G HA2 0.290 4.249 3.960 -0.000 0.000 0.291 3331 G HA3 0.290 4.249 3.960 -0.000 0.000 0.291 3331 G C -1.422 173.493 174.900 0.025 0.000 1.261 3331 G CA -0.149 44.986 45.100 0.059 0.000 0.871 3331 G HN 0.220 nan 8.290 nan 0.000 0.491 3332 I N -2.576 118.013 120.570 0.032 0.000 3.264 3332 I HA 0.864 5.034 4.170 -0.000 0.000 0.315 3332 I C -1.171 174.959 176.117 0.022 0.000 1.154 3332 I CA -1.641 59.673 61.300 0.022 0.000 0.962 3332 I CB 2.367 40.385 38.000 0.031 0.000 1.265 3332 I HN 0.477 nan 8.210 nan 0.000 0.463 3333 I N 1.949 122.531 120.570 0.020 0.000 2.465 3333 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 3333 I C -0.792 175.339 176.117 0.023 0.000 1.014 3333 I CA -0.574 60.738 61.300 0.020 0.000 1.093 3333 I CB 1.993 40.002 38.000 0.016 0.000 1.267 3333 I HN 0.681 nan 8.210 nan 0.000 0.431 3334 K N 4.785 125.200 120.400 0.025 0.000 2.395 3334 K HA 0.874 5.193 4.320 -0.000 0.000 0.247 3334 K C -0.923 175.688 176.600 0.019 0.000 0.973 3334 K CA -0.898 55.402 56.287 0.023 0.000 0.828 3334 K CB 2.070 34.586 32.500 0.027 0.000 1.272 3334 K HN 0.498 nan 8.250 nan 0.000 0.439 3335 A N 1.123 123.952 122.820 0.015 0.000 2.454 3335 A HA 0.441 4.761 4.320 -0.000 0.000 0.260 3335 A C -0.368 177.226 177.584 0.016 0.000 1.106 3335 A CA -0.012 52.032 52.037 0.012 0.000 0.780 3335 A CB -0.078 18.927 19.000 0.008 0.000 1.044 3335 A HN 0.644 nan 8.150 nan 0.000 0.498 3336 S N 0.937 116.647 115.700 0.016 0.000 2.556 3336 S HA 0.363 4.833 4.470 -0.000 0.000 0.280 3336 S C -0.793 173.818 174.600 0.019 0.000 1.141 3336 S CA -0.098 58.113 58.200 0.019 0.000 0.883 3336 S CB 1.200 64.415 63.200 0.026 0.000 1.103 3336 S HN 0.858 nan 8.310 nan 0.000 0.453 3337 D N 2.345 122.755 120.400 0.017 0.000 2.427 3337 D HA 0.150 4.789 4.640 -0.000 0.000 0.224 3337 D C 0.497 176.808 176.300 0.018 0.000 1.157 3337 D CA -0.186 53.823 54.000 0.015 0.000 0.828 3337 D CB 0.309 41.116 40.800 0.011 0.000 0.974 3337 D HN 0.275 nan 8.370 nan 0.000 0.498 3338 S N 0.088 115.802 115.700 0.024 0.000 2.572 3338 S HA 0.009 4.479 4.470 -0.000 0.000 0.279 3338 S C 1.149 175.767 174.600 0.031 0.000 1.341 3338 S CA -0.262 57.954 58.200 0.027 0.000 1.043 3338 S CB 1.100 64.321 63.200 0.035 0.000 0.887 3338 S HN 0.064 nan 8.310 nan 0.000 0.516 3339 E N 2.111 122.327 120.200 0.027 0.000 2.371 3339 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 3339 E C 0.086 176.713 176.600 0.045 0.000 1.012 3339 E CA 0.544 56.962 56.400 0.030 0.000 0.860 3339 E CB 0.072 29.783 29.700 0.018 0.000 0.811 3339 E HN 0.695 nan 8.360 nan 0.000 0.502 3340 Q N 1.467 121.298 119.800 0.051 0.000 2.423 3340 Q HA 0.165 4.505 4.340 -0.000 0.000 0.235 3340 Q C 0.808 176.873 176.000 0.109 0.000 1.100 3340 Q CA -0.304 55.547 55.803 0.080 0.000 0.908 3340 Q CB 0.756 29.532 28.738 0.065 0.000 1.312 3340 Q HN -0.127 nan 8.270 nan 0.000 0.497 3341 R N 0.643 121.219 120.500 0.126 0.000 2.148 3341 R HA 0.028 4.367 4.340 -0.000 0.000 0.223 3341 R C 0.415 176.804 176.300 0.148 0.000 1.088 3341 R CA 0.436 56.608 56.100 0.119 0.000 0.985 3341 R CB -0.011 30.351 30.300 0.104 0.000 0.880 3341 R HN 0.245 nan 8.270 nan 0.000 0.451 3342 V N 1.221 121.279 119.914 0.240 0.000 2.531 3342 V HA 0.353 4.473 4.120 -0.000 0.000 0.301 3342 V C -0.369 175.954 176.094 0.381 0.000 1.034 3342 V CA -0.894 61.568 62.300 0.270 0.000 0.865 3342 V CB 2.571 34.559 31.823 0.275 0.000 0.995 3342 V HN -0.265 nan 8.190 nan 0.000 0.424 3343 V N 5.994 126.060 119.914 0.254 0.000 2.487 3343 V HA 0.540 4.659 4.120 -0.000 0.000 0.298 3343 V C -0.367 175.842 176.094 0.192 0.000 1.028 3343 V CA -0.398 62.053 62.300 0.251 0.000 0.860 3343 V CB 2.010 33.925 31.823 0.153 0.000 0.991 3343 V HN 0.715 nan 8.190 nan 0.000 0.427 3344 I N 5.484 126.197 120.570 0.239 0.000 2.405 3344 I HA 0.454 4.624 4.170 -0.000 0.000 0.280 3344 I C 0.251 176.451 176.117 0.139 0.000 1.027 3344 I CA -0.252 61.120 61.300 0.120 0.000 1.161 3344 I CB 1.131 39.099 38.000 -0.054 0.000 1.300 3344 I HN 0.809 nan 8.210 nan 0.000 0.463 3345 E N 0.000 120.261 120.200 0.101 0.000 2.725 3345 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 3345 E CA 0.000 56.441 56.400 0.067 0.000 0.976 3345 E CB 0.000 29.734 29.700 0.057 0.000 0.812 3345 E HN 0.000 nan 8.360 nan 0.000 0.440