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 2o2k_1_B DATA FIRST_RESID 926 DATA SEQUENCE ERRYLPLSQA RKSGFQMDWL SEPHPVKPTF IGTQVFEEYD LQKLVDYIDW DATA SEQUENCE KPFFDVWQLR GKYPNRGFPK IFNDKXXGGE ARKVYDDAHN MLNTLISQKK DATA SEQUENCE LRARGVVGFW PAQSIQDDIH LYAEAAVPQA AEPIATFYGL RQQAENXXXX DATA SEQUENCE TEPYYCLSDF IAPLHSGIRD YLGLFAVACF GVEELSKAYE DDGDDYSSIM DATA SEQUENCE VKALGDRLAE AFAEELHERV RRELWAYCGS EQLDVADLRR LRYKGIRPAP DATA SEQUENCE GYPSQPDHTE KLTMWRLADI EQSTGIRLTE SLAMAPASAV SGLYFSNLKS DATA SEQUENCE KYFAVGKISK DQVEDYALRK NISVAEVEKW LGPILGYDT 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 926 E HA 0.000 nan 4.350 nan 0.000 0.291 926 E C 0.000 176.617 176.600 0.029 0.000 1.382 926 E CA 0.000 56.423 56.400 0.039 0.000 0.976 926 E CB 0.000 29.720 29.700 0.033 0.000 0.812 927 R N 0.703 121.222 120.500 0.032 0.000 2.489 927 R HA 0.621 4.961 4.340 -0.000 0.000 0.287 927 R C 0.547 176.794 176.300 -0.089 0.000 1.053 927 R CA 0.716 56.786 56.100 -0.051 0.000 1.036 927 R CB 0.425 30.684 30.300 -0.069 0.000 0.966 927 R HN 0.690 nan 8.270 nan 0.000 0.432 928 R N 3.843 124.235 120.500 -0.180 0.000 2.349 928 R HA 0.316 4.656 4.340 -0.000 0.000 0.299 928 R C -1.483 174.632 176.300 -0.308 0.000 1.027 928 R CA -0.109 55.919 56.100 -0.120 0.000 0.958 928 R CB 0.405 30.675 30.300 -0.050 0.000 1.047 928 R HN 0.675 nan 8.270 nan 0.000 0.468 929 Y N 1.105 121.434 120.300 0.048 0.000 2.409 929 Y HA 0.483 5.032 4.550 -0.000 0.000 0.343 929 Y C 0.031 175.935 175.900 0.007 0.000 0.973 929 Y CA -1.220 56.907 58.100 0.046 0.000 1.064 929 Y CB 2.200 40.692 38.460 0.052 0.000 1.207 929 Y HN 0.598 nan 8.280 nan 0.000 0.452 930 L N 5.929 127.216 121.223 0.106 0.000 2.380 930 L HA 0.449 4.789 4.340 -0.000 0.000 0.273 930 L C -2.387 174.476 176.870 -0.012 0.000 1.138 930 L CA -2.141 52.685 54.840 -0.024 0.000 0.832 930 L CB 0.273 42.193 42.059 -0.232 0.000 1.124 930 L HN 0.382 nan 8.230 nan 0.000 0.454 931 P HA -0.062 nan 4.420 nan 0.000 0.266 931 P C 0.584 177.855 177.300 -0.048 0.000 1.193 931 P CA -0.154 62.932 63.100 -0.024 0.000 0.770 931 P CB 0.477 32.162 31.700 -0.024 0.000 0.836 932 L N 3.869 125.075 121.223 -0.028 0.000 2.013 932 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 932 L C 2.176 179.026 176.870 -0.033 0.000 1.073 932 L CA 2.685 57.512 54.840 -0.022 0.000 0.753 932 L CB -1.496 40.567 42.059 0.006 0.000 0.890 932 L HN 0.459 nan 8.230 nan 0.000 0.432 933 S N -1.620 114.064 115.700 -0.026 0.000 2.383 933 S HA -0.275 4.195 4.470 -0.000 0.000 0.229 933 S C 1.875 176.449 174.600 -0.044 0.000 1.030 933 S CA 1.420 59.606 58.200 -0.023 0.000 1.002 933 S CB -0.699 62.492 63.200 -0.014 0.000 0.829 933 S HN 0.689 nan 8.310 nan 0.000 0.467 934 Q N 1.086 120.844 119.800 -0.070 0.000 2.083 934 Q HA 0.137 4.477 4.340 -0.000 0.000 0.198 934 Q C 2.678 178.567 176.000 -0.184 0.000 0.969 934 Q CA 1.136 56.878 55.803 -0.101 0.000 0.838 934 Q CB -0.515 28.163 28.738 -0.100 0.000 0.900 934 Q HN 0.744 nan 8.270 nan 0.000 0.436 935 A N 1.426 124.089 122.820 -0.262 0.000 1.940 935 A HA -0.231 4.088 4.320 -0.000 0.000 0.219 935 A C 2.008 179.497 177.584 -0.157 0.000 1.176 935 A CA 1.458 53.253 52.037 -0.404 0.000 0.631 935 A CB -0.398 18.407 19.000 -0.326 0.000 0.814 935 A HN 0.210 nan 8.150 nan 0.000 0.446 936 R N -0.677 119.778 120.500 -0.074 0.000 2.075 936 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 936 R C 2.409 178.703 176.300 -0.011 0.000 1.126 936 R CA 1.517 57.608 56.100 -0.016 0.000 0.963 936 R CB -0.250 30.052 30.300 0.003 0.000 0.858 936 R HN 0.377 nan 8.270 nan 0.000 0.435 937 K N 0.010 120.396 120.400 -0.025 0.000 2.147 937 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 937 K C 1.708 178.308 176.600 0.000 0.000 1.049 937 K CA 1.260 57.540 56.287 -0.011 0.000 0.936 937 K CB -0.095 32.395 32.500 -0.016 0.000 0.722 937 K HN 0.167 nan 8.250 nan 0.000 0.446 938 S N 0.193 115.897 115.700 0.006 0.000 2.583 938 S HA 0.275 4.744 4.470 -0.000 0.000 0.239 938 S C 0.721 175.391 174.600 0.117 0.000 0.966 938 S CA -0.171 58.078 58.200 0.081 0.000 0.973 938 S CB 0.477 63.780 63.200 0.172 0.000 0.794 938 S HN 0.589 nan 8.310 nan 0.000 0.463 939 G N 1.031 109.859 108.800 0.046 0.000 2.667 939 G HA2 0.327 4.286 3.960 -0.000 0.000 0.250 939 G HA3 0.327 4.286 3.960 -0.000 0.000 0.250 939 G C -0.430 174.454 174.900 -0.027 0.000 1.212 939 G CA -0.495 44.615 45.100 0.017 0.000 0.874 939 G HN 0.365 nan 8.290 nan 0.000 0.561 940 F N 0.875 120.671 119.950 -0.257 0.000 2.533 940 F HA 0.222 4.748 4.527 -0.000 0.000 0.378 940 F C 0.392 176.147 175.800 -0.075 0.000 1.070 940 F CA -0.366 57.483 58.000 -0.251 0.000 1.172 940 F CB 0.651 39.457 39.000 -0.323 0.000 1.085 940 F HN 0.156 nan 8.300 nan 0.000 0.552 941 Q N 7.378 126.775 119.800 -0.672 0.000 2.347 941 Q HA 0.146 4.486 4.340 -0.000 0.000 0.262 941 Q C 0.669 176.153 176.000 -0.860 0.000 0.980 941 Q CA -0.463 55.017 55.803 -0.538 0.000 0.867 941 Q CB 1.698 30.280 28.738 -0.260 0.000 1.242 941 Q HN 0.937 nan 8.270 nan 0.000 0.453 942 M N 2.300 121.424 119.600 -0.794 0.000 2.288 942 M HA -0.095 4.384 4.480 -0.000 0.000 0.266 942 M C -0.272 175.587 176.300 -0.735 0.000 1.072 942 M CA 1.190 55.913 55.300 -0.962 0.000 1.132 942 M CB 0.198 31.885 32.600 -1.521 0.000 1.386 942 M HN 0.841 nan 8.290 nan 0.000 0.432 943 D N -0.766 119.322 120.400 -0.520 0.000 3.620 943 D HA -0.246 4.394 4.640 -0.000 0.000 0.237 943 D C -0.516 175.644 176.300 -0.234 0.000 1.111 943 D CA 0.509 54.361 54.000 -0.245 0.000 1.070 943 D CB -1.442 39.261 40.800 -0.161 0.000 0.891 943 D HN 0.623 nan 8.370 nan 0.000 0.412 944 W N 2.312 123.602 121.300 -0.018 0.000 2.595 944 W HA 0.138 4.798 4.660 -0.000 0.000 0.257 944 W C 2.460 178.989 176.519 0.017 0.000 1.267 944 W CA 0.310 57.652 57.345 -0.006 0.000 1.300 944 W CB -0.115 29.330 29.460 -0.026 0.000 1.120 944 W HN 0.374 nan 8.180 nan 0.000 0.618 945 L N -0.715 120.628 121.223 0.200 0.000 2.141 945 L HA -0.149 4.190 4.340 -0.000 0.000 0.209 945 L C 2.117 179.081 176.870 0.158 0.000 1.094 945 L CA 1.139 56.083 54.840 0.173 0.000 0.763 945 L CB -0.810 41.323 42.059 0.122 0.000 0.908 945 L HN -0.182 nan 8.230 nan 0.000 0.437 946 S N -1.853 113.901 115.700 0.090 0.000 2.486 946 S HA 0.066 4.536 4.470 -0.000 0.000 0.220 946 S C 0.666 175.303 174.600 0.061 0.000 1.011 946 S CA -0.023 58.213 58.200 0.061 0.000 0.921 946 S CB 0.117 63.327 63.200 0.017 0.000 0.785 946 S HN 0.260 nan 8.310 nan 0.000 0.517 947 E N 2.418 122.652 120.200 0.055 0.000 2.390 947 E HA 0.239 4.588 4.350 -0.000 0.000 0.261 947 E C -2.589 174.110 176.600 0.165 0.000 1.076 947 E CA -2.260 54.167 56.400 0.046 0.000 0.905 947 E CB -0.287 29.371 29.700 -0.070 0.000 0.984 947 E HN 0.077 nan 8.360 nan 0.000 0.427 948 P HA 0.024 nan 4.420 nan 0.000 0.267 948 P C -0.361 177.114 177.300 0.292 0.000 1.205 948 P CA 0.409 63.609 63.100 0.167 0.000 0.765 948 P CB 0.208 31.966 31.700 0.097 0.000 0.828 949 H N 3.486 122.634 119.070 0.129 0.000 2.897 949 H HA 0.079 4.634 4.556 -0.000 0.000 0.347 949 H C -1.600 173.840 175.328 0.186 0.000 1.068 949 H CA -1.470 54.682 56.048 0.173 0.000 1.426 949 H CB -0.104 29.747 29.762 0.147 0.000 1.410 949 H HN 0.340 nan 8.280 nan 0.000 0.597 950 P HA -0.067 nan 4.420 nan 0.000 0.265 950 P C -0.621 176.902 177.300 0.372 0.000 1.187 950 P CA 0.025 63.327 63.100 0.337 0.000 0.766 950 P CB 0.564 32.510 31.700 0.410 0.000 0.820 951 V N 3.702 123.813 119.914 0.329 0.000 2.498 951 V HA 0.143 4.263 4.120 -0.000 0.000 0.279 951 V C 0.755 176.938 176.094 0.147 0.000 1.048 951 V CA -0.484 61.968 62.300 0.253 0.000 0.967 951 V CB 0.920 32.876 31.823 0.222 0.000 0.988 951 V HN 0.466 nan 8.190 nan 0.000 0.473 952 K N 6.497 126.795 120.400 -0.171 0.000 2.379 952 K HA 0.260 4.580 4.320 -0.000 0.000 0.284 952 K C -2.373 173.865 176.600 -0.603 0.000 1.044 952 K CA -1.233 54.584 56.287 -0.782 0.000 0.974 952 K CB 0.736 32.943 32.500 -0.489 0.000 0.962 952 K HN 0.385 nan 8.250 nan 0.000 0.474 953 P HA -0.050 nan 4.420 nan 0.000 0.271 953 P C 0.357 177.266 177.300 -0.652 0.000 1.233 953 P CA -0.161 62.308 63.100 -1.053 0.000 0.789 953 P CB 0.547 31.083 31.700 -1.940 0.000 0.951 954 T N -2.123 112.121 114.554 -0.518 0.000 3.035 954 T HA 0.051 4.401 4.350 -0.000 0.000 0.268 954 T C 0.378 175.056 174.700 -0.037 0.000 1.109 954 T CA 0.648 62.634 62.100 -0.189 0.000 1.119 954 T CB -0.966 67.888 68.868 -0.023 0.000 0.900 954 T HN 0.447 nan 8.240 nan 0.000 0.503 955 F N -0.738 119.110 119.950 -0.170 0.000 2.645 955 F HA 0.782 5.309 4.527 -0.000 0.000 0.310 955 F C -1.534 174.184 175.800 -0.136 0.000 1.102 955 F CA -2.366 55.567 58.000 -0.111 0.000 0.952 955 F CB 1.094 40.059 39.000 -0.057 0.000 1.326 955 F HN -0.253 nan 8.300 nan 0.000 0.456 956 I N 2.065 122.673 120.570 0.063 0.000 2.433 956 I HA 0.792 4.962 4.170 -0.000 0.000 0.292 956 I C 0.563 176.653 176.117 -0.044 0.000 1.001 956 I CA -0.091 61.152 61.300 -0.095 0.000 1.119 956 I CB 0.653 38.630 38.000 -0.039 0.000 1.289 956 I HN 1.152 nan 8.210 nan 0.000 0.438 957 G N 4.940 113.498 108.800 -0.403 0.000 2.416 957 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.203 957 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.203 957 G C -0.397 174.378 174.900 -0.208 0.000 1.227 957 G CA -0.265 44.694 45.100 -0.236 0.000 1.041 957 G HN 0.850 nan 8.290 nan 0.000 0.546 958 T N -2.273 112.247 114.554 -0.056 0.000 2.912 958 T HA 0.737 5.087 4.350 -0.000 0.000 0.288 958 T C -0.306 174.239 174.700 -0.259 0.000 1.030 958 T CA 0.058 62.115 62.100 -0.071 0.000 1.020 958 T CB 2.269 71.119 68.868 -0.030 0.000 1.056 958 T HN 0.970 nan 8.240 nan 0.000 0.480 959 Q N 1.604 121.217 119.800 -0.312 0.000 2.330 959 Q HA 0.610 4.950 4.340 -0.000 0.000 0.269 959 Q C -1.708 173.978 176.000 -0.524 0.000 1.022 959 Q CA -0.850 54.624 55.803 -0.547 0.000 0.796 959 Q CB 1.905 30.200 28.738 -0.739 0.000 1.271 959 Q HN 0.685 nan 8.270 nan 0.000 0.450 960 V N 4.594 124.208 119.914 -0.499 0.000 2.472 960 V HA 0.451 4.571 4.120 -0.000 0.000 0.290 960 V C -0.793 175.011 176.094 -0.484 0.000 1.037 960 V CA -0.460 61.622 62.300 -0.363 0.000 0.908 960 V CB 1.115 32.836 31.823 -0.170 0.000 0.985 960 V HN 0.654 nan 8.190 nan 0.000 0.454 961 F N 2.618 122.637 119.950 0.115 0.000 2.332 961 F HA 0.419 4.946 4.527 -0.000 0.000 0.368 961 F C 1.262 177.160 175.800 0.164 0.000 1.110 961 F CA -0.427 57.694 58.000 0.200 0.000 1.087 961 F CB 1.138 40.379 39.000 0.403 0.000 1.235 961 F HN 0.565 nan 8.300 nan 0.000 0.470 962 E N 1.207 121.538 120.200 0.219 0.000 2.285 962 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 962 E C 0.305 176.991 176.600 0.142 0.000 0.997 962 E CA 0.589 57.064 56.400 0.124 0.000 0.845 962 E CB 0.437 30.167 29.700 0.050 0.000 0.782 962 E HN 0.609 nan 8.360 nan 0.000 0.491 963 E N -1.048 119.278 120.200 0.210 0.000 2.430 963 E HA 0.397 4.746 4.350 -0.000 0.000 0.279 963 E C -1.965 174.784 176.600 0.249 0.000 1.003 963 E CA -0.748 55.756 56.400 0.173 0.000 0.801 963 E CB 1.352 31.100 29.700 0.080 0.000 1.313 963 E HN -0.074 nan 8.360 nan 0.000 0.459 964 Y N 0.552 120.819 120.300 -0.055 0.000 2.571 964 Y HA 0.264 4.814 4.550 -0.000 0.000 0.341 964 Y C -1.290 174.479 175.900 -0.219 0.000 1.076 964 Y CA -0.967 56.999 58.100 -0.223 0.000 1.029 964 Y CB 1.949 40.034 38.460 -0.626 0.000 1.308 964 Y HN 0.547 nan 8.280 nan 0.000 0.461 965 D N 3.946 124.098 120.400 -0.413 0.000 2.398 965 D HA 0.088 4.728 4.640 -0.000 0.000 0.250 965 D C 0.852 177.082 176.300 -0.117 0.000 1.287 965 D CA 0.676 54.531 54.000 -0.240 0.000 0.992 965 D CB 0.323 40.942 40.800 -0.303 0.000 1.071 965 D HN 0.701 nan 8.370 nan 0.000 0.514 966 L N 2.436 123.622 121.223 -0.062 0.000 2.083 966 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 966 L C 2.250 179.117 176.870 -0.005 0.000 1.083 966 L CA 0.822 55.642 54.840 -0.032 0.000 0.752 966 L CB -0.201 41.854 42.059 -0.007 0.000 0.899 966 L HN 0.365 nan 8.230 nan 0.000 0.433 967 Q N 0.742 120.541 119.800 -0.002 0.000 2.084 967 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 967 Q C 2.120 178.149 176.000 0.048 0.000 0.978 967 Q CA 1.734 57.552 55.803 0.026 0.000 0.844 967 Q CB -0.125 28.624 28.738 0.018 0.000 0.898 967 Q HN 0.292 nan 8.270 nan 0.000 0.426 968 K N -0.465 119.951 120.400 0.027 0.000 2.097 968 K HA -0.114 4.205 4.320 -0.000 0.000 0.206 968 K C 1.815 178.515 176.600 0.168 0.000 1.049 968 K CA 1.184 57.517 56.287 0.076 0.000 0.933 968 K CB -0.161 32.345 32.500 0.010 0.000 0.717 968 K HN 0.282 nan 8.250 nan 0.000 0.442 969 L N 0.604 121.881 121.223 0.091 0.000 2.201 969 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 969 L C 2.239 179.202 176.870 0.155 0.000 1.105 969 L CA 0.425 55.330 54.840 0.109 0.000 0.775 969 L CB -0.326 41.728 42.059 -0.008 0.000 0.913 969 L HN 0.032 nan 8.230 nan 0.000 0.440 970 V N -0.103 119.881 119.914 0.117 0.000 2.324 970 V HA -0.319 3.801 4.120 -0.000 0.000 0.250 970 V C 1.996 178.201 176.094 0.186 0.000 1.060 970 V CA 1.936 64.309 62.300 0.122 0.000 1.042 970 V CB -0.519 31.395 31.823 0.150 0.000 0.650 970 V HN 0.459 nan 8.190 nan 0.000 0.450 971 D N -1.316 119.199 120.400 0.192 0.000 2.310 971 D HA -0.130 4.510 4.640 -0.000 0.000 0.212 971 D C 1.658 177.955 176.300 -0.005 0.000 0.965 971 D CA 1.208 55.271 54.000 0.106 0.000 0.879 971 D CB -0.111 40.697 40.800 0.014 0.000 0.921 971 D HN 0.618 nan 8.370 nan 0.000 0.510 972 Y N 0.132 120.462 120.300 0.050 0.000 2.457 972 Y HA 0.240 4.790 4.550 -0.000 0.000 0.263 972 Y C 1.045 176.928 175.900 -0.027 0.000 1.164 972 Y CA -0.445 57.672 58.100 0.028 0.000 1.274 972 Y CB 0.357 38.831 38.460 0.024 0.000 1.097 972 Y HN -0.184 nan 8.280 nan 0.000 0.523 973 I N 1.461 122.032 120.570 0.002 0.000 2.683 973 I HA -0.108 4.062 4.170 -0.000 0.000 0.286 973 I C 0.146 176.107 176.117 -0.261 0.000 1.175 973 I CA 0.320 61.439 61.300 -0.301 0.000 1.429 973 I CB 0.345 37.849 38.000 -0.826 0.000 1.371 973 I HN 0.074 nan 8.210 nan 0.000 0.569 974 D N 6.227 126.511 120.400 -0.194 0.000 2.411 974 D HA 0.073 4.713 4.640 -0.000 0.000 0.225 974 D C 0.335 176.609 176.300 -0.042 0.000 1.156 974 D CA -0.222 53.761 54.000 -0.027 0.000 0.874 974 D CB 0.464 41.288 40.800 0.040 0.000 1.034 974 D HN 0.344 nan 8.370 nan 0.000 0.502 975 W N 3.262 124.670 121.300 0.179 0.000 2.678 975 W HA 0.082 4.742 4.660 -0.000 0.000 0.256 975 W C 2.340 179.078 176.519 0.365 0.000 1.280 975 W CA -0.189 57.291 57.345 0.225 0.000 1.345 975 W CB 0.182 29.814 29.460 0.285 0.000 1.118 975 W HN 0.410 nan 8.180 nan 0.000 0.629 976 K N 0.789 121.484 120.400 0.491 0.000 2.020 976 K HA -0.214 4.106 4.320 -0.000 0.000 0.212 976 K C -0.739 176.082 176.600 0.367 0.000 1.050 976 K CA 1.977 58.519 56.287 0.426 0.000 0.929 976 K CB -1.219 31.437 32.500 0.261 0.000 0.714 976 K HN -0.031 nan 8.250 nan 0.000 0.443 977 P HA -0.138 nan 4.420 nan 0.000 0.218 977 P C 0.951 178.376 177.300 0.208 0.000 1.149 977 P CA 0.936 64.148 63.100 0.187 0.000 0.817 977 P CB -0.065 31.709 31.700 0.122 0.000 0.785 978 F N -0.550 119.472 119.950 0.120 0.000 2.102 978 F HA -0.175 4.351 4.527 -0.000 0.000 0.298 978 F C 1.839 177.756 175.800 0.194 0.000 1.105 978 F CA 1.532 59.599 58.000 0.111 0.000 1.239 978 F CB -0.761 38.316 39.000 0.128 0.000 0.991 978 F HN -0.236 nan 8.300 nan 0.000 0.474 979 F N 1.048 121.268 119.950 0.450 0.000 2.234 979 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 979 F C 2.236 178.136 175.800 0.167 0.000 1.087 979 F CA 1.410 59.587 58.000 0.295 0.000 1.340 979 F CB -0.953 38.228 39.000 0.303 0.000 1.031 979 F HN -0.000 nan 8.300 nan 0.000 0.500 980 D N -0.035 120.539 120.400 0.289 0.000 2.117 980 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 980 D C 2.591 178.932 176.300 0.067 0.000 0.987 980 D CA 1.151 55.250 54.000 0.166 0.000 0.829 980 D CB -0.664 40.214 40.800 0.131 0.000 0.961 980 D HN 0.072 nan 8.370 nan 0.000 0.460 981 V N -0.110 119.773 119.914 -0.052 0.000 2.287 981 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 981 V C 2.086 178.011 176.094 -0.282 0.000 1.053 981 V CA 1.538 63.690 62.300 -0.247 0.000 1.027 981 V CB -0.608 30.937 31.823 -0.463 0.000 0.646 981 V HN 0.308 nan 8.190 nan 0.000 0.447 982 W N -0.776 120.468 121.300 -0.094 0.000 2.467 982 W HA -0.069 4.591 4.660 -0.000 0.000 0.275 982 W C 2.670 179.288 176.519 0.165 0.000 1.239 982 W CA 0.423 57.779 57.345 0.018 0.000 1.266 982 W CB -0.127 29.298 29.460 -0.058 0.000 1.112 982 W HN 0.160 nan 8.180 nan 0.000 0.576 983 Q N 0.048 120.046 119.800 0.329 0.000 2.079 983 Q HA -0.176 4.164 4.340 -0.000 0.000 0.200 983 Q C 2.260 178.389 176.000 0.215 0.000 0.974 983 Q CA 1.184 57.142 55.803 0.259 0.000 0.840 983 Q CB -1.119 27.735 28.738 0.193 0.000 0.898 983 Q HN 0.370 nan 8.270 nan 0.000 0.430 984 L N 0.807 122.122 121.223 0.153 0.000 2.027 984 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 984 L C 2.191 179.164 176.870 0.173 0.000 1.074 984 L CA 1.701 56.620 54.840 0.131 0.000 0.745 984 L CB -0.243 41.848 42.059 0.053 0.000 0.898 984 L HN 0.001 nan 8.230 nan 0.000 0.433 985 R N -0.124 120.454 120.500 0.129 0.000 2.090 985 R HA 0.079 4.419 4.340 -0.000 0.000 0.228 985 R C 2.201 178.709 176.300 0.347 0.000 1.110 985 R CA 1.047 57.247 56.100 0.167 0.000 0.973 985 R CB -1.555 28.738 30.300 -0.011 0.000 0.869 985 R HN 0.534 nan 8.270 nan 0.000 0.440 986 G N 1.367 110.476 108.800 0.516 0.000 2.448 986 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 986 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 986 G C 1.516 176.658 174.900 0.403 0.000 1.127 986 G CA 0.603 46.118 45.100 0.692 0.000 0.766 986 G HN 0.314 nan 8.290 nan 0.000 0.552 987 K N -0.581 119.954 120.400 0.225 0.000 2.097 987 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 987 K C -0.088 176.370 176.600 -0.237 0.000 1.049 987 K CA 0.660 56.927 56.287 -0.034 0.000 0.933 987 K CB -0.125 32.297 32.500 -0.130 0.000 0.717 987 K HN 0.390 nan 8.250 nan 0.000 0.442 988 Y N 1.902 122.222 120.300 0.034 0.000 2.837 988 Y HA 0.312 4.862 4.550 -0.000 0.000 0.356 988 Y C -2.316 173.462 175.900 -0.203 0.000 1.035 988 Y CA -2.837 55.229 58.100 -0.056 0.000 1.165 988 Y CB 0.747 39.175 38.460 -0.053 0.000 1.147 988 Y HN 0.089 nan 8.280 nan 0.000 0.628 989 P HA -0.001 nan 4.420 nan 0.000 0.271 989 P C -0.177 176.635 177.300 -0.813 0.000 1.216 989 P CA 0.076 62.675 63.100 -0.836 0.000 0.776 989 P CB 1.009 32.375 31.700 -0.557 0.000 0.881 990 N N 2.012 119.951 118.700 -1.268 0.000 2.444 990 N HA 0.081 4.820 4.740 -0.000 0.000 0.255 990 N C 0.601 175.900 175.510 -0.351 0.000 1.255 990 N CA -0.273 52.453 53.050 -0.540 0.000 0.933 990 N CB 0.797 39.149 38.487 -0.225 0.000 1.143 990 N HN 0.405 nan 8.380 nan 0.000 0.453 991 R N -0.013 120.416 120.500 -0.120 0.000 2.585 991 R HA 0.042 4.382 4.340 -0.000 0.000 0.275 991 R C 0.949 177.292 176.300 0.072 0.000 1.018 991 R CA 1.286 57.373 56.100 -0.023 0.000 1.072 991 R CB -0.090 30.210 30.300 -0.000 0.000 0.953 991 R HN 0.871 nan 8.270 nan 0.000 0.419 992 G N 3.023 111.885 108.800 0.103 0.000 2.195 992 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.224 992 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.224 992 G C -0.152 174.869 174.900 0.202 0.000 0.990 992 G CA -0.358 44.829 45.100 0.144 0.000 0.639 992 G HN 0.478 nan 8.290 nan 0.000 0.514 993 F N 2.126 122.025 119.950 -0.086 0.000 2.539 993 F HA 0.449 4.976 4.527 -0.000 0.000 0.340 993 F C -1.037 174.650 175.800 -0.189 0.000 1.185 993 F CA -1.826 56.038 58.000 -0.227 0.000 1.333 993 F CB -0.128 38.665 39.000 -0.346 0.000 1.152 993 F HN -0.095 nan 8.300 nan 0.000 0.602 994 P HA -0.017 nan 4.420 nan 0.000 0.266 994 P C 0.646 178.034 177.300 0.146 0.000 1.193 994 P CA 0.098 63.152 63.100 -0.077 0.000 0.770 994 P CB 0.378 31.965 31.700 -0.187 0.000 0.836 995 K N 1.543 121.983 120.400 0.066 0.000 2.280 995 K HA -0.130 4.189 4.320 -0.000 0.000 0.202 995 K C 1.809 178.458 176.600 0.082 0.000 1.047 995 K CA 1.594 57.927 56.287 0.077 0.000 0.942 995 K CB -1.388 31.132 32.500 0.032 0.000 0.739 995 K HN 0.623 nan 8.250 nan 0.000 0.457 996 I N -2.622 117.971 120.570 0.040 0.000 2.567 996 I HA -0.021 4.149 4.170 -0.000 0.000 0.257 996 I C 1.813 177.891 176.117 -0.065 0.000 1.184 996 I CA 1.454 62.722 61.300 -0.053 0.000 1.451 996 I CB -0.813 37.092 38.000 -0.159 0.000 1.089 996 I HN -0.011 nan 8.210 nan 0.000 0.441 997 F N 1.688 121.667 119.950 0.048 0.000 2.451 997 F HA -0.020 4.507 4.527 -0.000 0.000 0.299 997 F C 1.715 177.551 175.800 0.061 0.000 1.101 997 F CA 0.898 58.959 58.000 0.100 0.000 1.436 997 F CB -0.544 38.593 39.000 0.229 0.000 1.074 997 F HN 0.183 nan 8.300 nan 0.000 0.553 998 N N -0.183 118.625 118.700 0.181 0.000 2.314 998 N HA 0.019 4.759 4.740 -0.000 0.000 0.200 998 N C -0.199 175.341 175.510 0.049 0.000 1.135 998 N CA 0.295 53.405 53.050 0.101 0.000 0.835 998 N CB -0.068 38.469 38.487 0.082 0.000 0.989 998 N HN 0.217 nan 8.380 nan 0.000 0.478 999 D N 0.540 120.956 120.400 0.028 0.000 2.564 999 D HA 0.344 4.984 4.640 -0.000 0.000 0.273 999 D C 0.987 177.283 176.300 -0.006 0.000 1.192 999 D CA -0.334 53.666 54.000 0.000 0.000 1.080 999 D CB 0.358 41.146 40.800 -0.020 0.000 1.160 999 D HN 0.036 nan 8.370 nan 0.000 0.607 1004 G N 0.959 109.703 108.800 -0.094 0.000 2.418 1004 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.217 1004 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.217 1004 G C 1.332 176.124 174.900 -0.180 0.000 1.158 1004 G CA 1.618 46.647 45.100 -0.118 0.000 0.771 1004 G HN 0.498 nan 8.290 nan 0.000 0.545 1005 E N 0.405 120.459 120.200 -0.244 0.000 2.047 1005 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 1005 E C 2.969 179.476 176.600 -0.155 0.000 0.987 1005 E CA 0.713 56.879 56.400 -0.391 0.000 0.799 1005 E CB -0.189 29.239 29.700 -0.454 0.000 0.752 1005 E HN 0.373 nan 8.360 nan 0.000 0.449 1006 A N 1.986 124.790 122.820 -0.027 0.000 1.908 1006 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 1006 A C 2.141 179.823 177.584 0.163 0.000 1.181 1006 A CA 1.693 53.804 52.037 0.124 0.000 0.627 1006 A CB -0.577 18.410 19.000 -0.022 0.000 0.818 1006 A HN 0.100 nan 8.150 nan 0.000 0.445 1007 R N -0.194 120.333 120.500 0.046 0.000 2.083 1007 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 1007 R C 2.120 178.467 176.300 0.077 0.000 1.137 1007 R CA 2.229 58.368 56.100 0.065 0.000 0.951 1007 R CB -0.332 29.968 30.300 -0.000 0.000 0.851 1007 R HN 0.363 nan 8.270 nan 0.000 0.434 1008 K N 0.776 121.174 120.400 -0.004 0.000 2.025 1008 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 1008 K C 2.111 178.723 176.600 0.021 0.000 1.049 1008 K CA 1.900 58.174 56.287 -0.022 0.000 0.933 1008 K CB -0.532 31.904 32.500 -0.108 0.000 0.714 1008 K HN 0.227 nan 8.250 nan 0.000 0.438 1009 V N -1.041 118.867 119.914 -0.009 0.000 2.626 1009 V HA -0.143 3.977 4.120 -0.000 0.000 0.252 1009 V C 2.196 178.382 176.094 0.153 0.000 1.067 1009 V CA 1.514 63.755 62.300 -0.099 0.000 1.081 1009 V CB -0.982 30.499 31.823 -0.570 0.000 0.686 1009 V HN 0.292 nan 8.190 nan 0.000 0.468 1010 Y N 1.939 122.294 120.300 0.091 0.000 2.184 1010 Y HA -0.009 4.540 4.550 -0.000 0.000 0.290 1010 Y C 2.293 178.195 175.900 0.004 0.000 1.129 1010 Y CA 1.901 60.008 58.100 0.012 0.000 1.144 1010 Y CB -0.427 38.101 38.460 0.112 0.000 0.995 1010 Y HN 0.268 nan 8.280 nan 0.000 0.513 1011 D N 0.065 120.483 120.400 0.029 0.000 2.117 1011 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 1011 D C 1.686 177.972 176.300 -0.024 0.000 0.987 1011 D CA 1.585 55.562 54.000 -0.038 0.000 0.829 1011 D CB -0.279 40.521 40.800 0.000 0.000 0.961 1011 D HN 0.377 nan 8.370 nan 0.000 0.460 1012 D N 0.158 120.566 120.400 0.013 0.000 2.144 1012 D HA -0.084 4.555 4.640 -0.000 0.000 0.199 1012 D C 1.981 178.285 176.300 0.007 0.000 0.984 1012 D CA 1.174 55.196 54.000 0.037 0.000 0.834 1012 D CB -0.285 40.579 40.800 0.108 0.000 0.955 1012 D HN 0.135 nan 8.370 nan 0.000 0.465 1013 A N 0.701 123.505 122.820 -0.027 0.000 1.877 1013 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 1013 A C 2.010 179.490 177.584 -0.173 0.000 1.186 1013 A CA 1.419 53.403 52.037 -0.088 0.000 0.620 1013 A CB -0.823 18.026 19.000 -0.252 0.000 0.822 1013 A HN 0.320 nan 8.150 nan 0.000 0.443 1014 H N -0.108 118.828 119.070 -0.224 0.000 2.387 1014 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 1014 H C 1.930 177.208 175.328 -0.083 0.000 1.090 1014 H CA 1.618 57.555 56.048 -0.185 0.000 1.332 1014 H CB -0.125 29.442 29.762 -0.325 0.000 1.386 1014 H HN 0.443 nan 8.280 nan 0.000 0.516 1015 N N 0.728 119.452 118.700 0.040 0.000 2.084 1015 N HA -0.142 4.598 4.740 -0.000 0.000 0.190 1015 N C 2.153 177.688 175.510 0.043 0.000 1.030 1015 N CA 0.847 53.919 53.050 0.036 0.000 0.849 1015 N CB -0.433 38.071 38.487 0.029 0.000 1.012 1015 N HN 0.356 nan 8.380 nan 0.000 0.423 1016 M N 0.468 120.091 119.600 0.039 0.000 2.086 1016 M HA -0.091 4.389 4.480 -0.000 0.000 0.261 1016 M C 1.823 178.157 176.300 0.057 0.000 1.067 1016 M CA 1.213 56.549 55.300 0.059 0.000 1.116 1016 M CB -0.062 32.573 32.600 0.058 0.000 1.348 1016 M HN 0.051 nan 8.290 nan 0.000 0.407 1017 L N 0.576 121.817 121.223 0.030 0.000 1.990 1017 L HA -0.314 4.025 4.340 -0.000 0.000 0.213 1017 L C 2.229 179.126 176.870 0.046 0.000 1.072 1017 L CA 1.454 56.311 54.840 0.029 0.000 0.755 1017 L CB -1.091 40.968 42.059 -0.001 0.000 0.889 1017 L HN 0.398 nan 8.230 nan 0.000 0.432 1018 N N -0.769 117.962 118.700 0.052 0.000 2.120 1018 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 1018 N C 1.818 177.355 175.510 0.045 0.000 1.024 1018 N CA 1.910 54.990 53.050 0.049 0.000 0.852 1018 N CB -0.570 37.945 38.487 0.047 0.000 1.003 1018 N HN 0.310 nan 8.380 nan 0.000 0.424 1019 T N 1.764 116.349 114.554 0.051 0.000 2.770 1019 T HA 0.068 4.418 4.350 -0.000 0.000 0.263 1019 T C 2.126 176.861 174.700 0.058 0.000 1.039 1019 T CA 0.566 62.699 62.100 0.055 0.000 1.142 1019 T CB -0.184 68.724 68.868 0.067 0.000 0.868 1019 T HN 0.117 nan 8.240 nan 0.000 0.435 1020 L N 0.488 121.752 121.223 0.068 0.000 2.093 1020 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 1020 L C 2.363 179.264 176.870 0.053 0.000 1.085 1020 L CA 0.617 55.498 54.840 0.069 0.000 0.755 1020 L CB -0.557 41.554 42.059 0.087 0.000 0.904 1020 L HN 0.229 nan 8.230 nan 0.000 0.435 1021 I N 0.103 120.701 120.570 0.046 0.000 2.163 1021 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 1021 I C 2.902 179.037 176.117 0.030 0.000 1.081 1021 I CA 1.860 63.182 61.300 0.036 0.000 1.353 1021 I CB -1.493 36.525 38.000 0.031 0.000 1.054 1021 I HN 0.312 nan 8.210 nan 0.000 0.407 1022 S N 0.676 116.394 115.700 0.029 0.000 2.382 1022 S HA -0.215 4.255 4.470 -0.000 0.000 0.228 1022 S C 1.735 176.349 174.600 0.023 0.000 1.027 1022 S CA 0.978 59.191 58.200 0.023 0.000 0.991 1022 S CB -0.662 62.551 63.200 0.023 0.000 0.823 1022 S HN 0.582 nan 8.310 nan 0.000 0.469 1023 Q N 0.798 120.616 119.800 0.029 0.000 2.403 1023 Q HA 0.227 4.567 4.340 -0.000 0.000 0.203 1023 Q C -0.378 175.638 176.000 0.026 0.000 0.932 1023 Q CA -0.067 55.753 55.803 0.027 0.000 0.945 1023 Q CB -0.094 28.663 28.738 0.032 0.000 1.045 1023 Q HN 0.535 nan 8.270 nan 0.000 0.511 1024 K N 0.111 120.528 120.400 0.029 0.000 3.096 1024 K HA -0.241 4.078 4.320 -0.000 0.000 0.266 1024 K C 0.125 176.747 176.600 0.037 0.000 1.043 1024 K CA 0.609 56.914 56.287 0.030 0.000 0.758 1024 K CB -0.990 31.523 32.500 0.022 0.000 1.260 1024 K HN 0.243 nan 8.250 nan 0.000 0.481 1025 K N 0.120 120.545 120.400 0.042 0.000 2.379 1025 K HA 0.154 4.474 4.320 -0.000 0.000 0.194 1025 K C 0.695 177.333 176.600 0.063 0.000 1.031 1025 K CA 0.457 56.770 56.287 0.043 0.000 1.037 1025 K CB 0.296 32.817 32.500 0.035 0.000 0.824 1025 K HN 0.193 nan 8.250 nan 0.000 0.516 1026 L N 1.591 122.857 121.223 0.072 0.000 2.342 1026 L HA 0.487 4.827 4.340 -0.000 0.000 0.271 1026 L C -0.433 176.498 176.870 0.102 0.000 1.008 1026 L CA -1.093 53.804 54.840 0.096 0.000 0.818 1026 L CB 1.815 43.926 42.059 0.087 0.000 1.296 1026 L HN 0.026 nan 8.230 nan 0.000 0.427 1027 R N 1.623 122.213 120.500 0.151 0.000 2.643 1027 R HA 0.873 5.213 4.340 -0.000 0.000 0.269 1027 R C -1.745 174.706 176.300 0.252 0.000 1.037 1027 R CA -0.817 55.374 56.100 0.151 0.000 0.894 1027 R CB 1.916 32.278 30.300 0.104 0.000 1.238 1027 R HN 0.569 nan 8.270 nan 0.000 0.459 1028 A N 2.843 125.795 122.820 0.220 0.000 2.337 1028 A HA 0.758 5.078 4.320 -0.000 0.000 0.329 1028 A C -0.660 177.168 177.584 0.406 0.000 1.146 1028 A CA -0.917 51.315 52.037 0.326 0.000 0.800 1028 A CB 1.194 20.256 19.000 0.103 0.000 1.220 1028 A HN 0.774 nan 8.150 nan 0.000 0.472 1029 R N 0.430 121.264 120.500 0.558 0.000 2.795 1029 R HA 0.764 5.104 4.340 -0.000 0.000 0.275 1029 R C -0.226 176.351 176.300 0.461 0.000 0.981 1029 R CA -0.519 55.863 56.100 0.469 0.000 0.917 1029 R CB 2.732 33.213 30.300 0.302 0.000 1.202 1029 R HN 1.062 nan 8.270 nan 0.000 0.469 1030 G N 0.006 109.042 108.800 0.394 0.000 2.559 1030 G HA2 0.508 4.467 3.960 -0.000 0.000 0.291 1030 G HA3 0.508 4.467 3.960 -0.000 0.000 0.291 1030 G C -2.030 173.043 174.900 0.290 0.000 1.424 1030 G CA -0.402 44.821 45.100 0.206 0.000 0.786 1030 G HN 0.406 nan 8.290 nan 0.000 0.485 1031 V N -0.688 119.326 119.914 0.166 0.000 2.932 1031 V HA 0.784 4.904 4.120 -0.000 0.000 0.307 1031 V C -1.298 174.878 176.094 0.137 0.000 1.147 1031 V CA -0.530 61.831 62.300 0.102 0.000 0.951 1031 V CB 2.022 33.820 31.823 -0.042 0.000 1.031 1031 V HN 0.885 nan 8.190 nan 0.000 0.426 1032 V N 4.714 124.706 119.914 0.130 0.000 2.735 1032 V HA 0.972 5.092 4.120 -0.000 0.000 0.310 1032 V C 0.446 176.452 176.094 -0.148 0.000 1.061 1032 V CA 0.238 62.583 62.300 0.075 0.000 0.913 1032 V CB 1.864 33.826 31.823 0.230 0.000 1.005 1032 V HN 1.185 nan 8.190 nan 0.000 0.428 1033 G N 2.373 110.928 108.800 -0.408 0.000 2.612 1033 G HA2 0.797 4.757 3.960 -0.000 0.000 0.298 1033 G HA3 0.797 4.757 3.960 -0.000 0.000 0.298 1033 G C -1.852 172.241 174.900 -1.346 0.000 1.336 1033 G CA -0.413 44.221 45.100 -0.778 0.000 0.953 1033 G HN 0.343 nan 8.290 nan 0.000 0.482 1034 F N 0.152 119.401 119.950 -1.168 0.000 2.578 1034 F HA 0.714 5.241 4.527 -0.000 0.000 0.311 1034 F C -0.625 174.560 175.800 -1.026 0.000 1.094 1034 F CA -1.161 56.287 58.000 -0.921 0.000 0.923 1034 F CB 2.209 40.643 39.000 -0.943 0.000 1.230 1034 F HN 0.342 nan 8.300 nan 0.000 0.450 1035 W N 1.438 122.812 121.300 0.124 0.000 3.127 1035 W HA 0.340 5.000 4.660 -0.000 0.000 0.330 1035 W C -2.745 173.899 176.519 0.209 0.000 1.187 1035 W CA -2.053 55.380 57.345 0.147 0.000 1.198 1035 W CB 1.929 31.451 29.460 0.104 0.000 1.408 1035 W HN 0.158 nan 8.180 nan 0.000 0.529 1036 P HA 0.125 nan 4.420 nan 0.000 0.263 1036 P C -0.553 176.881 177.300 0.224 0.000 1.175 1036 P CA 0.994 64.194 63.100 0.167 0.000 0.761 1036 P CB 0.571 32.378 31.700 0.178 0.000 0.794 1037 A N 2.896 125.754 122.820 0.063 0.000 2.520 1037 A HA 0.662 4.982 4.320 -0.000 0.000 0.298 1037 A C -1.339 176.291 177.584 0.077 0.000 1.051 1037 A CA -0.411 51.716 52.037 0.149 0.000 0.690 1037 A CB 1.532 20.616 19.000 0.141 0.000 1.281 1037 A HN 0.404 nan 8.150 nan 0.000 0.402 1038 Q N 0.369 120.269 119.800 0.167 0.000 2.418 1038 Q HA 0.571 4.911 4.340 -0.000 0.000 0.282 1038 Q C -0.700 175.313 176.000 0.023 0.000 1.044 1038 Q CA -0.562 55.261 55.803 0.034 0.000 0.813 1038 Q CB 2.073 30.810 28.738 -0.002 0.000 1.428 1038 Q HN 1.028 nan 8.270 nan 0.000 0.402 1039 S N 0.491 116.151 115.700 -0.068 0.000 2.578 1039 S HA 0.798 5.268 4.470 -0.000 0.000 0.283 1039 S C -0.063 174.495 174.600 -0.071 0.000 1.195 1039 S CA -0.610 57.549 58.200 -0.069 0.000 1.050 1039 S CB 0.644 63.827 63.200 -0.029 0.000 1.012 1039 S HN 0.509 nan 8.310 nan 0.000 0.511 1040 I N 2.670 123.195 120.570 -0.074 0.000 2.439 1040 I HA 0.294 4.464 4.170 -0.000 0.000 0.283 1040 I C 0.415 176.530 176.117 -0.003 0.000 1.023 1040 I CA -0.451 60.843 61.300 -0.010 0.000 1.100 1040 I CB 1.591 39.646 38.000 0.093 0.000 1.238 1040 I HN 0.922 nan 8.210 nan 0.000 0.445 1041 Q N 4.063 123.878 119.800 0.024 0.000 2.224 1041 Q HA -0.331 4.009 4.340 -0.000 0.000 0.415 1041 Q C 0.392 176.418 176.000 0.043 0.000 0.619 1041 Q CA 2.641 58.469 55.803 0.042 0.000 0.957 1041 Q CB -0.679 28.092 28.738 0.056 0.000 2.552 1041 Q HN 0.721 nan 8.270 nan 0.000 0.903 1042 D N 0.946 121.384 120.400 0.062 0.000 2.339 1042 D HA 0.175 4.815 4.640 -0.000 0.000 0.217 1042 D C -0.536 175.814 176.300 0.082 0.000 1.050 1042 D CA 0.494 54.550 54.000 0.093 0.000 0.856 1042 D CB 0.037 40.923 40.800 0.143 0.000 0.922 1042 D HN 0.248 nan 8.370 nan 0.000 0.518 1043 D N -0.010 120.378 120.400 -0.021 0.000 2.350 1043 D HA 0.404 5.044 4.640 -0.000 0.000 0.238 1043 D C 0.112 176.252 176.300 -0.266 0.000 0.989 1043 D CA -0.524 53.375 54.000 -0.168 0.000 0.921 1043 D CB 2.331 42.915 40.800 -0.361 0.000 1.297 1043 D HN -0.106 nan 8.370 nan 0.000 0.490 1044 I N 1.749 122.155 120.570 -0.272 0.000 2.382 1044 I HA 0.132 4.302 4.170 -0.000 0.000 0.286 1044 I C -0.278 175.644 176.117 -0.324 0.000 1.002 1044 I CA -0.653 60.542 61.300 -0.174 0.000 1.135 1044 I CB 1.117 39.171 38.000 0.091 0.000 1.288 1044 I HN 0.084 nan 8.210 nan 0.000 0.448 1045 H N 6.134 125.123 119.070 -0.135 0.000 2.473 1045 H HA 0.522 5.078 4.556 -0.000 0.000 0.327 1045 H C -0.633 174.466 175.328 -0.382 0.000 1.105 1045 H CA -0.633 55.212 56.048 -0.338 0.000 1.280 1045 H CB 1.956 31.480 29.762 -0.396 0.000 1.450 1045 H HN 0.255 nan 8.280 nan 0.000 0.492 1046 L N 3.116 124.112 121.223 -0.379 0.000 2.334 1046 L HA 0.356 4.695 4.340 -0.000 0.000 0.272 1046 L C -0.618 175.908 176.870 -0.572 0.000 1.020 1046 L CA -0.497 54.169 54.840 -0.290 0.000 0.812 1046 L CB 0.811 42.763 42.059 -0.178 0.000 1.264 1046 L HN 0.502 nan 8.230 nan 0.000 0.439 1047 Y N -0.064 120.263 120.300 0.045 0.000 2.576 1047 Y HA 0.740 5.290 4.550 -0.000 0.000 0.346 1047 Y C 0.326 176.297 175.900 0.118 0.000 1.018 1047 Y CA -1.321 56.801 58.100 0.037 0.000 1.050 1047 Y CB 1.499 39.966 38.460 0.012 0.000 1.280 1047 Y HN 0.659 nan 8.280 nan 0.000 0.474 1048 A N 0.699 123.671 122.820 0.254 0.000 2.466 1048 A HA 0.076 4.396 4.320 -0.000 0.000 0.238 1048 A C 1.464 179.177 177.584 0.215 0.000 1.074 1048 A CA 0.189 52.359 52.037 0.222 0.000 0.774 1048 A CB 0.159 19.246 19.000 0.146 0.000 1.015 1048 A HN 1.035 nan 8.150 nan 0.000 0.498 1049 E N 1.043 121.360 120.200 0.195 0.000 2.086 1049 E HA -0.242 4.108 4.350 -0.000 0.000 0.200 1049 E C 1.676 178.346 176.600 0.117 0.000 1.012 1049 E CA 1.820 58.313 56.400 0.154 0.000 0.812 1049 E CB -0.146 29.623 29.700 0.115 0.000 0.743 1049 E HN 0.772 nan 8.360 nan 0.000 0.453 1050 A N 0.160 123.037 122.820 0.094 0.000 2.275 1050 A HA 0.446 4.766 4.320 -0.000 0.000 0.212 1050 A C 0.878 178.493 177.584 0.052 0.000 1.201 1050 A CA 0.445 52.521 52.037 0.065 0.000 0.843 1050 A CB 0.013 19.045 19.000 0.053 0.000 0.873 1050 A HN 0.319 nan 8.150 nan 0.000 0.492 1051 A N -0.111 122.749 122.820 0.066 0.000 2.445 1051 A HA 0.470 4.790 4.320 -0.000 0.000 0.242 1051 A C 0.073 177.642 177.584 -0.024 0.000 1.075 1051 A CA -0.027 52.034 52.037 0.040 0.000 0.777 1051 A CB 0.138 19.196 19.000 0.096 0.000 1.013 1051 A HN 0.413 nan 8.150 nan 0.000 0.493 1052 V N 5.341 125.223 119.914 -0.054 0.000 2.353 1052 V HA 0.150 4.270 4.120 -0.000 0.000 0.264 1052 V C -1.484 174.481 176.094 -0.215 0.000 1.049 1052 V CA -0.750 61.485 62.300 -0.107 0.000 0.896 1052 V CB 1.001 32.785 31.823 -0.065 0.000 1.025 1052 V HN 0.824 nan 8.190 nan 0.000 0.475 1053 P HA -0.202 nan 4.420 nan 0.000 0.216 1053 P C 1.516 178.504 177.300 -0.520 0.000 1.154 1053 P CA 1.341 63.889 63.100 -0.920 0.000 0.865 1053 P CB 0.229 31.283 31.700 -1.076 0.000 0.789 1054 Q N -1.478 118.159 119.800 -0.271 0.000 2.364 1054 Q HA -0.007 4.333 4.340 -0.000 0.000 0.207 1054 Q C 1.750 177.724 176.000 -0.044 0.000 0.970 1054 Q CA 1.215 56.959 55.803 -0.098 0.000 0.888 1054 Q CB -0.309 28.424 28.738 -0.009 0.000 0.951 1054 Q HN 0.212 nan 8.270 nan 0.000 0.469 1055 A N -0.393 122.388 122.820 -0.065 0.000 2.390 1055 A HA 0.524 4.844 4.320 -0.000 0.000 0.232 1055 A C 0.536 178.117 177.584 -0.006 0.000 1.233 1055 A CA 0.169 52.191 52.037 -0.025 0.000 0.907 1055 A CB 0.520 19.505 19.000 -0.025 0.000 0.967 1055 A HN 0.217 nan 8.150 nan 0.000 0.512 1056 A N -0.166 122.657 122.820 0.005 0.000 2.354 1056 A HA 0.655 4.974 4.320 -0.000 0.000 0.321 1056 A C -0.571 177.086 177.584 0.122 0.000 1.125 1056 A CA -0.523 51.555 52.037 0.069 0.000 0.799 1056 A CB 0.794 19.858 19.000 0.107 0.000 1.293 1056 A HN 0.163 nan 8.150 nan 0.000 0.452 1057 E N 1.429 121.670 120.200 0.068 0.000 2.259 1057 E HA 0.496 4.846 4.350 -0.000 0.000 0.281 1057 E C -2.450 174.123 176.600 -0.046 0.000 1.037 1057 E CA -1.630 54.768 56.400 -0.003 0.000 0.854 1057 E CB 0.441 30.119 29.700 -0.036 0.000 1.051 1057 E HN 0.358 nan 8.360 nan 0.000 0.409 1058 P HA 0.003 nan 4.420 nan 0.000 0.267 1058 P C 0.443 177.555 177.300 -0.313 0.000 1.200 1058 P CA 0.256 63.047 63.100 -0.514 0.000 0.772 1058 P CB 0.388 31.696 31.700 -0.653 0.000 0.855 1059 I N -0.511 119.871 120.570 -0.313 0.000 3.226 1059 I HA 0.431 4.601 4.170 -0.000 0.000 0.277 1059 I C 0.548 176.476 176.117 -0.314 0.000 1.243 1059 I CA 0.321 61.475 61.300 -0.242 0.000 1.459 1059 I CB 0.045 37.933 38.000 -0.186 0.000 1.093 1059 I HN 0.187 nan 8.210 nan 0.000 0.453 1060 A N 0.189 122.774 122.820 -0.391 0.000 2.608 1060 A HA 0.740 5.060 4.320 -0.000 0.000 0.292 1060 A C -0.735 176.575 177.584 -0.456 0.000 1.066 1060 A CA -0.436 51.328 52.037 -0.456 0.000 0.676 1060 A CB 1.202 19.837 19.000 -0.608 0.000 1.277 1060 A HN 0.094 nan 8.150 nan 0.000 0.413 1061 T N 1.091 115.330 114.554 -0.526 0.000 2.879 1061 T HA 0.599 4.949 4.350 -0.000 0.000 0.290 1061 T C -1.259 172.962 174.700 -0.798 0.000 0.993 1061 T CA 0.039 61.792 62.100 -0.578 0.000 0.975 1061 T CB 0.455 68.970 68.868 -0.588 0.000 0.981 1061 T HN 0.362 nan 8.240 nan 0.000 0.439 1062 F N 2.752 122.488 119.950 -0.357 0.000 2.385 1062 F HA 0.464 4.991 4.527 -0.000 0.000 0.360 1062 F C -0.120 175.549 175.800 -0.219 0.000 1.122 1062 F CA -0.960 56.937 58.000 -0.172 0.000 1.090 1062 F CB 0.722 39.698 39.000 -0.040 0.000 1.150 1062 F HN 0.524 nan 8.300 nan 0.000 0.472 1063 Y N 1.564 121.968 120.300 0.173 0.000 2.309 1063 Y HA 0.511 5.061 4.550 -0.000 0.000 0.327 1063 Y C 0.857 176.933 175.900 0.293 0.000 1.172 1063 Y CA -0.602 57.589 58.100 0.152 0.000 1.280 1063 Y CB 0.933 39.402 38.460 0.015 0.000 1.234 1063 Y HN 0.614 nan 8.280 nan 0.000 0.512 1064 G N 2.399 111.441 108.800 0.404 0.000 2.441 1064 G HA2 0.691 4.651 3.960 -0.000 0.000 0.334 1064 G HA3 0.691 4.651 3.960 -0.000 0.000 0.334 1064 G C -1.488 173.613 174.900 0.334 0.000 1.161 1064 G CA -0.820 44.479 45.100 0.332 0.000 0.935 1064 G HN 0.540 nan 8.290 nan 0.000 0.488 1065 L N 0.069 121.424 121.223 0.220 0.000 2.354 1065 L HA 0.638 4.978 4.340 -0.000 0.000 0.269 1065 L C 0.158 177.143 176.870 0.193 0.000 1.005 1065 L CA -0.905 54.012 54.840 0.128 0.000 0.819 1065 L CB 2.572 44.623 42.059 -0.013 0.000 1.311 1065 L HN 0.489 nan 8.230 nan 0.000 0.423 1066 R N 1.600 122.197 120.500 0.162 0.000 2.562 1066 R HA 0.386 4.726 4.340 -0.000 0.000 0.298 1066 R C -0.856 175.566 176.300 0.204 0.000 0.961 1066 R CA -0.628 55.577 56.100 0.175 0.000 0.881 1066 R CB 1.521 31.893 30.300 0.120 0.000 1.159 1066 R HN 0.586 nan 8.270 nan 0.000 0.450 1067 Q N 2.032 121.986 119.800 0.257 0.000 2.333 1067 Q HA -0.099 4.240 4.340 -0.000 0.000 0.299 1067 Q C 0.218 176.435 176.000 0.361 0.000 1.067 1067 Q CA 0.909 56.902 55.803 0.318 0.000 0.943 1067 Q CB 1.007 29.930 28.738 0.308 0.000 1.233 1067 Q HN 0.632 nan 8.270 nan 0.000 0.401 1068 Q N 0.084 120.093 119.800 0.349 0.000 2.237 1068 Q HA 0.183 4.523 4.340 -0.000 0.000 0.254 1068 Q C -0.481 175.727 176.000 0.347 0.000 0.771 1068 Q CA -0.015 55.952 55.803 0.274 0.000 0.958 1068 Q CB 0.982 29.862 28.738 0.236 0.000 1.202 1068 Q HN 0.722 nan 8.270 nan 0.000 0.492 1069 A N 1.905 124.931 122.820 0.343 0.000 2.488 1069 A HA 0.122 4.442 4.320 -0.000 0.000 0.249 1069 A C -0.060 177.595 177.584 0.118 0.000 1.083 1069 A CA 0.187 52.262 52.037 0.063 0.000 0.768 1069 A CB 0.192 19.180 19.000 -0.021 0.000 1.017 1069 A HN 0.169 nan 8.150 nan 0.000 0.496 1070 E N 0.952 121.151 120.200 -0.003 0.000 2.371 1070 E HA 0.157 4.507 4.350 -0.000 0.000 0.257 1070 E C -0.114 176.489 176.600 0.006 0.000 1.134 1070 E CA -0.478 55.964 56.400 0.070 0.000 0.919 1070 E CB 0.624 30.341 29.700 0.028 0.000 1.025 1070 E HN 0.725 nan 8.360 nan 0.000 0.438 1077 E N 3.575 123.724 120.200 -0.085 0.000 2.392 1077 E HA 0.437 4.787 4.350 -0.000 0.000 0.264 1077 E C -2.236 174.217 176.600 -0.245 0.000 1.024 1077 E CA -0.992 55.331 56.400 -0.129 0.000 0.903 1077 E CB 0.819 30.443 29.700 -0.126 0.000 0.963 1077 E HN 0.586 nan 8.360 nan 0.000 0.432 1078 P HA 0.148 nan 4.420 nan 0.000 0.275 1078 P C -0.912 176.072 177.300 -0.526 0.000 1.266 1078 P CA -0.301 62.611 63.100 -0.312 0.000 0.793 1078 P CB 0.339 31.838 31.700 -0.336 0.000 1.074 1079 Y N -0.779 119.356 120.300 -0.275 0.000 2.417 1079 Y HA 0.307 4.857 4.550 -0.000 0.000 0.336 1079 Y C 0.394 176.123 175.900 -0.286 0.000 0.961 1079 Y CA -0.254 57.731 58.100 -0.191 0.000 1.215 1079 Y CB 0.169 38.588 38.460 -0.069 0.000 1.120 1079 Y HN 0.207 nan 8.280 nan 0.000 0.499 1080 Y N 1.721 121.873 120.300 -0.246 0.000 2.336 1080 Y HA 0.377 4.927 4.550 -0.000 0.000 0.331 1080 Y C 0.483 176.066 175.900 -0.528 0.000 1.211 1080 Y CA -0.049 57.673 58.100 -0.631 0.000 1.346 1080 Y CB 0.989 38.558 38.460 -1.485 0.000 1.271 1080 Y HN 0.598 nan 8.280 nan 0.000 0.538 1081 C N 4.111 123.253 119.300 -0.264 0.000 2.985 1081 C HA 0.355 4.815 4.460 -0.000 0.000 0.314 1081 C C 1.143 176.060 174.990 -0.122 0.000 1.215 1081 C CA -0.866 58.161 59.018 0.015 0.000 1.414 1081 C CB 0.172 27.947 27.740 0.058 0.000 1.842 1081 C HN 1.033 nan 8.230 nan 0.000 0.477 1082 L N 3.190 124.477 121.223 0.106 0.000 2.127 1082 L HA -0.117 4.222 4.340 -0.000 0.000 0.211 1082 L C 2.644 179.456 176.870 -0.097 0.000 1.089 1082 L CA 2.140 56.901 54.840 -0.133 0.000 0.757 1082 L CB -0.280 41.811 42.059 0.053 0.000 0.899 1082 L HN 0.967 nan 8.230 nan 0.000 0.434 1083 S N -1.323 114.413 115.700 0.060 0.000 2.442 1083 S HA -0.193 4.276 4.470 -0.000 0.000 0.236 1083 S C 1.443 176.120 174.600 0.129 0.000 1.007 1083 S CA 1.191 59.473 58.200 0.137 0.000 0.965 1083 S CB -0.413 62.845 63.200 0.096 0.000 0.773 1083 S HN 0.390 nan 8.310 nan 0.000 0.504 1084 D N 1.233 121.622 120.400 -0.018 0.000 2.311 1084 D HA -0.018 4.622 4.640 -0.000 0.000 0.212 1084 D C 0.941 177.496 176.300 0.425 0.000 0.972 1084 D CA 0.823 54.897 54.000 0.124 0.000 0.887 1084 D CB -0.419 40.412 40.800 0.052 0.000 0.915 1084 D HN 0.657 nan 8.370 nan 0.000 0.497 1085 F N -0.139 120.082 119.950 0.451 0.000 2.765 1085 F HA 0.164 4.691 4.527 -0.000 0.000 0.302 1085 F C 0.786 176.978 175.800 0.654 0.000 1.111 1085 F CA -0.333 57.963 58.000 0.494 0.000 1.359 1085 F CB 0.687 39.843 39.000 0.261 0.000 1.097 1085 F HN -0.223 nan 8.300 nan 0.000 0.577 1086 I N 0.691 121.670 120.570 0.681 0.000 2.509 1086 I HA 0.352 4.522 4.170 -0.000 0.000 0.293 1086 I C 0.249 176.271 176.117 -0.159 0.000 1.020 1086 I CA -1.163 60.351 61.300 0.358 0.000 1.088 1086 I CB 1.404 39.577 38.000 0.289 0.000 1.267 1086 I HN -0.193 nan 8.210 nan 0.000 0.430 1087 A N 8.385 130.774 122.820 -0.720 0.000 2.520 1087 A HA 0.387 4.707 4.320 -0.000 0.000 0.245 1087 A C -2.300 174.831 177.584 -0.755 0.000 1.072 1087 A CA -0.652 50.492 52.037 -1.488 0.000 0.761 1087 A CB -0.739 17.616 19.000 -1.076 0.000 1.004 1087 A HN 0.407 nan 8.150 nan 0.000 0.499 1088 P HA -0.017 nan 4.420 nan 0.000 0.267 1088 P C 1.120 178.220 177.300 -0.333 0.000 1.200 1088 P CA -0.340 62.541 63.100 -0.365 0.000 0.772 1088 P CB 0.447 31.991 31.700 -0.259 0.000 0.855 1089 L N 3.540 124.578 121.223 -0.308 0.000 2.051 1089 L HA -0.217 4.123 4.340 -0.000 0.000 0.214 1089 L C 1.521 178.152 176.870 -0.398 0.000 1.076 1089 L CA 2.181 56.784 54.840 -0.395 0.000 0.758 1089 L CB -1.008 40.746 42.059 -0.508 0.000 0.890 1089 L HN 0.452 nan 8.230 nan 0.000 0.433 1090 H N -1.599 117.412 119.070 -0.097 0.000 2.517 1090 H HA 0.266 4.822 4.556 -0.000 0.000 0.282 1090 H C 2.192 177.468 175.328 -0.087 0.000 1.023 1090 H CA 0.701 56.702 56.048 -0.079 0.000 1.169 1090 H CB -0.157 29.578 29.762 -0.046 0.000 1.454 1090 H HN 0.512 nan 8.280 nan 0.000 0.556 1091 S N -0.361 115.295 115.700 -0.073 0.000 2.453 1091 S HA 0.013 4.483 4.470 -0.000 0.000 0.231 1091 S C 1.990 176.553 174.600 -0.062 0.000 1.005 1091 S CA 0.714 58.860 58.200 -0.089 0.000 0.949 1091 S CB -0.150 62.900 63.200 -0.250 0.000 0.774 1091 S HN 0.522 nan 8.310 nan 0.000 0.510 1092 G N 0.686 109.441 108.800 -0.074 0.000 2.162 1092 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 1092 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 1092 G C -0.048 174.798 174.900 -0.091 0.000 0.976 1092 G CA 0.397 45.464 45.100 -0.056 0.000 0.655 1092 G HN 0.608 nan 8.290 nan 0.000 0.533 1093 I N 1.370 121.841 120.570 -0.165 0.000 2.354 1093 I HA 0.445 4.615 4.170 -0.000 0.000 0.292 1093 I C 0.500 176.489 176.117 -0.213 0.000 0.989 1093 I CA -1.106 60.062 61.300 -0.220 0.000 1.188 1093 I CB 1.183 39.008 38.000 -0.292 0.000 1.342 1093 I HN -0.107 nan 8.210 nan 0.000 0.457 1094 R N 4.129 124.540 120.500 -0.148 0.000 2.340 1094 R HA 0.336 4.676 4.340 -0.000 0.000 0.300 1094 R C -0.676 175.470 176.300 -0.257 0.000 1.069 1094 R CA -0.365 55.607 56.100 -0.213 0.000 0.984 1094 R CB 0.730 30.949 30.300 -0.134 0.000 1.003 1094 R HN 0.532 nan 8.270 nan 0.000 0.459 1095 D N 0.732 120.869 120.400 -0.438 0.000 2.585 1095 D HA 0.507 5.147 4.640 -0.000 0.000 0.254 1095 D C -1.106 174.771 176.300 -0.706 0.000 1.067 1095 D CA -0.487 53.329 54.000 -0.307 0.000 1.090 1095 D CB 1.297 42.043 40.800 -0.090 0.000 1.408 1095 D HN 0.242 nan 8.370 nan 0.000 0.554 1096 Y N -0.509 119.922 120.300 0.217 0.000 2.544 1096 Y HA 0.521 5.071 4.550 -0.000 0.000 0.342 1096 Y C -0.830 175.208 175.900 0.230 0.000 1.062 1096 Y CA -0.979 57.212 58.100 0.152 0.000 1.023 1096 Y CB 1.703 40.130 38.460 -0.056 0.000 1.308 1096 Y HN 0.155 nan 8.280 nan 0.000 0.457 1097 L N 1.340 122.734 121.223 0.286 0.000 2.381 1097 L HA 0.989 5.329 4.340 -0.000 0.000 0.268 1097 L C -0.144 176.879 176.870 0.255 0.000 0.997 1097 L CA -0.120 54.860 54.840 0.232 0.000 0.818 1097 L CB 2.119 44.236 42.059 0.097 0.000 1.310 1097 L HN 0.798 nan 8.230 nan 0.000 0.416 1098 G N 2.920 111.922 108.800 0.338 0.000 2.597 1098 G HA2 0.703 4.662 3.960 -0.000 0.000 0.317 1098 G HA3 0.703 4.662 3.960 -0.000 0.000 0.317 1098 G C -1.638 173.391 174.900 0.215 0.000 1.230 1098 G CA -0.483 44.817 45.100 0.333 0.000 0.996 1098 G HN 0.834 nan 8.290 nan 0.000 0.490 1099 L N -2.119 119.160 121.223 0.094 0.000 2.479 1099 L HA 0.963 5.303 4.340 -0.000 0.000 0.255 1099 L C -1.037 175.761 176.870 -0.119 0.000 1.026 1099 L CA -1.467 53.297 54.840 -0.127 0.000 0.842 1099 L CB 1.738 43.755 42.059 -0.070 0.000 1.444 1099 L HN 0.803 nan 8.230 nan 0.000 0.409 1100 F N -0.983 118.696 119.950 -0.451 0.000 2.645 1100 F HA 1.032 5.559 4.527 -0.000 0.000 0.310 1100 F C -1.037 174.580 175.800 -0.306 0.000 1.102 1100 F CA -0.665 57.146 58.000 -0.316 0.000 0.952 1100 F CB 1.608 40.434 39.000 -0.290 0.000 1.326 1100 F HN 0.916 nan 8.300 nan 0.000 0.456 1101 A N 1.989 124.615 122.820 -0.324 0.000 2.459 1101 A HA 0.800 5.120 4.320 -0.000 0.000 0.296 1101 A C -1.438 176.044 177.584 -0.170 0.000 1.039 1101 A CA -0.294 51.512 52.037 -0.384 0.000 0.698 1101 A CB 1.393 20.083 19.000 -0.516 0.000 1.261 1101 A HN 2.011 nan 8.150 nan 0.000 0.405 1102 V N -1.352 118.464 119.914 -0.163 0.000 3.007 1102 V HA 1.051 5.170 4.120 -0.000 0.000 0.311 1102 V C -0.228 175.817 176.094 -0.083 0.000 1.120 1102 V CA -0.313 61.803 62.300 -0.307 0.000 0.980 1102 V CB 1.250 32.476 31.823 -0.995 0.000 1.033 1102 V HN 2.440 nan 8.190 nan 0.000 0.429 1103 A N 1.502 124.360 122.820 0.063 0.000 2.604 1103 A HA 0.770 5.090 4.320 -0.000 0.000 0.295 1103 A C -0.966 176.722 177.584 0.174 0.000 1.067 1103 A CA -0.101 51.963 52.037 0.046 0.000 0.683 1103 A CB 1.607 20.514 19.000 -0.155 0.000 1.281 1103 A HN 1.974 nan 8.150 nan 0.000 0.407 1104 C N 2.005 121.339 119.300 0.057 0.000 2.255 1104 C HA 0.793 5.253 4.460 -0.000 0.000 0.326 1104 C C -0.750 174.236 174.990 -0.007 0.000 1.258 1104 C CA -0.701 58.388 59.018 0.118 0.000 1.676 1104 C CB -1.794 26.003 27.740 0.095 0.000 2.314 1104 C HN 0.514 nan 8.230 nan 0.000 0.509 1105 F N 4.121 124.126 119.950 0.092 0.000 2.379 1105 F HA 0.633 5.160 4.527 -0.000 0.000 0.332 1105 F C 1.422 177.256 175.800 0.058 0.000 1.096 1105 F CA 1.205 59.249 58.000 0.073 0.000 1.105 1105 F CB 1.558 40.602 39.000 0.074 0.000 1.189 1105 F HN 0.882 nan 8.300 nan 0.000 0.515 1106 G N 0.469 109.398 108.800 0.214 0.000 2.218 1106 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 1106 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 1106 G C 0.821 175.768 174.900 0.079 0.000 0.994 1106 G CA 0.124 45.304 45.100 0.133 0.000 0.637 1106 G HN 0.534 nan 8.290 nan 0.000 0.505 1107 V N 0.853 120.806 119.914 0.064 0.000 2.295 1107 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 1107 V C 2.529 178.650 176.094 0.046 0.000 1.049 1107 V CA 2.897 65.229 62.300 0.054 0.000 1.024 1107 V CB -0.566 31.277 31.823 0.033 0.000 0.648 1107 V HN 0.553 nan 8.190 nan 0.000 0.447 1108 E N -0.114 120.103 120.200 0.028 0.000 2.077 1108 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 1108 E C 2.241 178.857 176.600 0.026 0.000 0.989 1108 E CA 1.526 57.941 56.400 0.024 0.000 0.800 1108 E CB -0.118 29.590 29.700 0.012 0.000 0.746 1108 E HN 0.641 nan 8.360 nan 0.000 0.452 1109 E N 0.609 120.825 120.200 0.026 0.000 2.051 1109 E HA -0.147 4.202 4.350 -0.000 0.000 0.192 1109 E C 2.053 178.634 176.600 -0.031 0.000 0.991 1109 E CA 0.825 57.230 56.400 0.008 0.000 0.799 1109 E CB -0.122 29.591 29.700 0.021 0.000 0.748 1109 E HN 0.208 nan 8.360 nan 0.000 0.449 1110 L N 0.264 121.463 121.223 -0.039 0.000 2.056 1110 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 1110 L C 2.530 179.333 176.870 -0.112 0.000 1.078 1110 L CA 1.227 55.976 54.840 -0.152 0.000 0.749 1110 L CB -0.577 41.433 42.059 -0.082 0.000 0.901 1110 L HN 0.165 nan 8.230 nan 0.000 0.433 1111 S N -0.121 115.624 115.700 0.076 0.000 2.359 1111 S HA -0.216 4.253 4.470 -0.000 0.000 0.224 1111 S C 2.210 176.879 174.600 0.115 0.000 1.035 1111 S CA 1.391 59.692 58.200 0.170 0.000 1.018 1111 S CB -0.080 63.187 63.200 0.113 0.000 0.876 1111 S HN 0.192 nan 8.310 nan 0.000 0.448 1112 K N 1.220 121.648 120.400 0.046 0.000 2.057 1112 K HA 0.096 4.416 4.320 -0.000 0.000 0.207 1112 K C 2.283 178.896 176.600 0.022 0.000 1.049 1112 K CA 1.337 57.645 56.287 0.035 0.000 0.931 1112 K CB -1.056 31.454 32.500 0.018 0.000 0.714 1112 K HN 0.428 nan 8.250 nan 0.000 0.440 1113 A N -0.107 122.688 122.820 -0.043 0.000 1.902 1113 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 1113 A C 2.195 179.761 177.584 -0.031 0.000 1.181 1113 A CA 1.364 53.350 52.037 -0.085 0.000 0.623 1113 A CB -0.853 18.030 19.000 -0.196 0.000 0.818 1113 A HN 0.395 nan 8.150 nan 0.000 0.443 1114 Y N -0.172 120.156 120.300 0.048 0.000 2.145 1114 Y HA -0.222 4.328 4.550 -0.000 0.000 0.286 1114 Y C 2.641 178.578 175.900 0.061 0.000 1.145 1114 Y CA 1.508 59.643 58.100 0.059 0.000 1.148 1114 Y CB -0.158 38.340 38.460 0.064 0.000 0.981 1114 Y HN 0.401 nan 8.280 nan 0.000 0.507 1115 E N 0.043 120.372 120.200 0.215 0.000 2.077 1115 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 1115 E C 1.549 178.211 176.600 0.103 0.000 0.989 1115 E CA 1.306 57.790 56.400 0.140 0.000 0.800 1115 E CB -0.127 29.635 29.700 0.103 0.000 0.746 1115 E HN 0.447 nan 8.360 nan 0.000 0.452 1116 D N 0.617 121.066 120.400 0.082 0.000 2.221 1116 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 1116 D C 1.071 177.411 176.300 0.068 0.000 0.982 1116 D CA 1.070 55.105 54.000 0.059 0.000 0.857 1116 D CB -0.163 40.659 40.800 0.037 0.000 0.934 1116 D HN 0.049 nan 8.370 nan 0.000 0.475 1117 D N -1.328 119.129 120.400 0.094 0.000 2.342 1117 D HA 0.190 4.830 4.640 -0.000 0.000 0.221 1117 D C 1.098 177.464 176.300 0.110 0.000 1.101 1117 D CA 0.372 54.432 54.000 0.100 0.000 0.837 1117 D CB -0.039 40.834 40.800 0.122 0.000 0.938 1117 D HN 0.156 nan 8.370 nan 0.000 0.508 1118 G N 1.440 110.305 108.800 0.107 0.000 2.168 1118 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 1118 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 1118 G C 0.207 175.186 174.900 0.131 0.000 0.997 1118 G CA 0.312 45.475 45.100 0.104 0.000 0.708 1118 G HN 0.412 nan 8.290 nan 0.000 0.520 1119 D N 0.433 120.930 120.400 0.162 0.000 2.557 1119 D HA 0.349 4.989 4.640 -0.000 0.000 0.236 1119 D C 1.227 177.630 176.300 0.172 0.000 1.154 1119 D CA -0.561 53.540 54.000 0.169 0.000 0.985 1119 D CB 0.020 40.923 40.800 0.172 0.000 1.010 1119 D HN 0.189 nan 8.370 nan 0.000 0.516 1120 D N 1.120 121.645 120.400 0.207 0.000 2.178 1120 D HA -0.210 4.430 4.640 -0.000 0.000 0.202 1120 D C 1.433 177.869 176.300 0.227 0.000 0.974 1120 D CA 0.750 54.884 54.000 0.224 0.000 0.841 1120 D CB 0.046 41.003 40.800 0.262 0.000 0.953 1120 D HN 0.512 nan 8.370 nan 0.000 0.478 1121 Y N 2.123 122.467 120.300 0.073 0.000 2.097 1121 Y HA -0.264 4.286 4.550 -0.000 0.000 0.282 1121 Y C 2.485 178.340 175.900 -0.074 0.000 1.152 1121 Y CA 1.789 59.774 58.100 -0.192 0.000 1.136 1121 Y CB -0.356 37.833 38.460 -0.452 0.000 0.975 1121 Y HN -0.158 nan 8.280 nan 0.000 0.498 1122 S N -0.918 114.673 115.700 -0.182 0.000 2.402 1122 S HA -0.208 4.262 4.470 -0.000 0.000 0.229 1122 S C 2.239 176.578 174.600 -0.434 0.000 1.021 1122 S CA 1.148 59.015 58.200 -0.556 0.000 0.974 1122 S CB -0.639 61.873 63.200 -1.146 0.000 0.800 1122 S HN 0.598 nan 8.310 nan 0.000 0.484 1123 S N 1.526 117.156 115.700 -0.116 0.000 2.356 1123 S HA -0.050 4.419 4.470 -0.000 0.000 0.223 1123 S C 1.793 176.399 174.600 0.010 0.000 1.032 1123 S CA 1.024 59.282 58.200 0.097 0.000 1.005 1123 S CB -0.447 62.838 63.200 0.141 0.000 0.867 1123 S HN 0.479 nan 8.310 nan 0.000 0.449 1124 I N 0.830 121.359 120.570 -0.068 0.000 2.226 1124 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 1124 I C 2.619 178.643 176.117 -0.155 0.000 1.100 1124 I CA 1.593 62.773 61.300 -0.200 0.000 1.374 1124 I CB -0.359 37.395 38.000 -0.409 0.000 1.057 1124 I HN 0.385 nan 8.210 nan 0.000 0.413 1125 M N 0.394 119.985 119.600 -0.015 0.000 2.065 1125 M HA -0.178 4.302 4.480 -0.000 0.000 0.259 1125 M C 2.217 178.602 176.300 0.141 0.000 1.069 1125 M CA 1.780 57.185 55.300 0.174 0.000 1.110 1125 M CB -0.446 32.140 32.600 -0.023 0.000 1.328 1125 M HN 0.095 nan 8.290 nan 0.000 0.405 1126 V N -0.102 119.863 119.914 0.084 0.000 2.427 1126 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 1126 V C 2.131 178.288 176.094 0.105 0.000 1.051 1126 V CA 1.906 64.290 62.300 0.141 0.000 1.048 1126 V CB -0.464 31.517 31.823 0.263 0.000 0.666 1126 V HN 0.551 nan 8.190 nan 0.000 0.456 1127 K N 0.138 120.577 120.400 0.066 0.000 2.032 1127 K HA -0.145 4.174 4.320 -0.000 0.000 0.209 1127 K C 2.274 178.888 176.600 0.025 0.000 1.048 1127 K CA 1.580 57.882 56.287 0.026 0.000 0.927 1127 K CB -0.486 32.005 32.500 -0.015 0.000 0.712 1127 K HN 0.554 nan 8.250 nan 0.000 0.441 1128 A N 1.445 124.283 122.820 0.030 0.000 1.902 1128 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 1128 A C 2.141 179.831 177.584 0.176 0.000 1.181 1128 A CA 1.277 53.369 52.037 0.091 0.000 0.623 1128 A CB -0.617 18.434 19.000 0.086 0.000 0.818 1128 A HN 0.161 nan 8.150 nan 0.000 0.443 1129 L N -0.846 120.485 121.223 0.179 0.000 2.093 1129 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 1129 L C 2.847 179.726 176.870 0.016 0.000 1.085 1129 L CA 0.983 55.864 54.840 0.069 0.000 0.755 1129 L CB -0.827 41.275 42.059 0.072 0.000 0.904 1129 L HN 0.497 nan 8.230 nan 0.000 0.435 1130 G N -0.210 108.615 108.800 0.042 0.000 2.440 1130 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.218 1130 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.218 1130 G C 1.208 176.118 174.900 0.016 0.000 1.154 1130 G CA 1.148 46.266 45.100 0.030 0.000 0.767 1130 G HN 0.356 nan 8.290 nan 0.000 0.552 1131 D N 0.086 120.495 120.400 0.015 0.000 2.097 1131 D HA -0.096 4.544 4.640 -0.000 0.000 0.195 1131 D C 2.622 178.918 176.300 -0.006 0.000 0.989 1131 D CA 0.722 54.729 54.000 0.011 0.000 0.827 1131 D CB -0.040 40.769 40.800 0.015 0.000 0.966 1131 D HN 0.004 nan 8.370 nan 0.000 0.456 1132 R N -0.024 120.452 120.500 -0.041 0.000 2.081 1132 R HA -0.049 4.290 4.340 -0.000 0.000 0.235 1132 R C 2.555 178.786 176.300 -0.116 0.000 1.131 1132 R CA 0.558 56.576 56.100 -0.138 0.000 0.960 1132 R CB -1.070 29.031 30.300 -0.330 0.000 0.856 1132 R HN 0.364 nan 8.270 nan 0.000 0.436 1133 L N 0.029 121.209 121.223 -0.071 0.000 2.056 1133 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 1133 L C 2.573 179.479 176.870 0.061 0.000 1.078 1133 L CA 1.242 56.071 54.840 -0.019 0.000 0.749 1133 L CB -0.587 41.472 42.059 -0.001 0.000 0.901 1133 L HN 0.141 nan 8.230 nan 0.000 0.433 1134 A N -0.173 122.689 122.820 0.070 0.000 1.902 1134 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 1134 A C 2.199 179.842 177.584 0.099 0.000 1.181 1134 A CA 1.920 54.023 52.037 0.110 0.000 0.623 1134 A CB -0.434 18.603 19.000 0.062 0.000 0.818 1134 A HN 0.359 nan 8.150 nan 0.000 0.443 1135 E N 0.323 120.557 120.200 0.056 0.000 2.072 1135 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 1135 E C 2.042 178.677 176.600 0.059 0.000 0.985 1135 E CA 1.489 57.920 56.400 0.052 0.000 0.801 1135 E CB -0.566 29.152 29.700 0.030 0.000 0.750 1135 E HN 0.440 nan 8.360 nan 0.000 0.452 1136 A N 0.381 123.229 122.820 0.047 0.000 1.908 1136 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 1136 A C 2.392 180.015 177.584 0.065 0.000 1.181 1136 A CA 1.480 53.557 52.037 0.066 0.000 0.627 1136 A CB -1.141 17.883 19.000 0.040 0.000 0.818 1136 A HN 0.511 nan 8.150 nan 0.000 0.445 1137 F N 0.470 120.347 119.950 -0.123 0.000 2.102 1137 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 1137 F C 2.675 178.323 175.800 -0.252 0.000 1.105 1137 F CA 0.850 58.711 58.000 -0.232 0.000 1.239 1137 F CB -0.089 38.783 39.000 -0.213 0.000 0.991 1137 F HN 0.334 nan 8.300 nan 0.000 0.474 1138 A N -0.010 122.803 122.820 -0.012 0.000 1.908 1138 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 1138 A C 1.847 179.334 177.584 -0.162 0.000 1.181 1138 A CA 2.104 54.033 52.037 -0.180 0.000 0.627 1138 A CB -0.869 18.133 19.000 0.003 0.000 0.818 1138 A HN 0.505 nan 8.150 nan 0.000 0.445 1139 E N -0.289 119.891 120.200 -0.033 0.000 2.028 1139 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 1139 E C 2.108 178.651 176.600 -0.095 0.000 0.988 1139 E CA 1.403 57.812 56.400 0.016 0.000 0.799 1139 E CB -0.232 29.547 29.700 0.132 0.000 0.755 1139 E HN 0.540 nan 8.360 nan 0.000 0.447 1140 E N 0.108 120.137 120.200 -0.285 0.000 2.077 1140 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 1140 E C 2.078 178.522 176.600 -0.260 0.000 0.989 1140 E CA 0.807 56.850 56.400 -0.595 0.000 0.800 1140 E CB -0.232 28.886 29.700 -0.970 0.000 0.746 1140 E HN 0.301 nan 8.360 nan 0.000 0.452 1141 L N 1.016 122.141 121.223 -0.163 0.000 2.093 1141 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 1141 L C 2.486 179.295 176.870 -0.102 0.000 1.085 1141 L CA 1.893 56.656 54.840 -0.128 0.000 0.755 1141 L CB -0.864 41.055 42.059 -0.232 0.000 0.904 1141 L HN 0.213 nan 8.230 nan 0.000 0.435 1142 H N -0.113 118.794 119.070 -0.272 0.000 2.353 1142 H HA -0.180 4.375 4.556 -0.000 0.000 0.300 1142 H C 2.166 177.302 175.328 -0.321 0.000 1.090 1142 H CA 2.045 57.920 56.048 -0.289 0.000 1.327 1142 H CB 0.024 29.643 29.762 -0.237 0.000 1.383 1142 H HN 0.592 nan 8.280 nan 0.000 0.508 1143 E N 0.224 120.264 120.200 -0.267 0.000 2.077 1143 E HA -0.214 4.135 4.350 -0.000 0.000 0.193 1143 E C 2.506 178.988 176.600 -0.197 0.000 0.989 1143 E CA 0.936 57.163 56.400 -0.289 0.000 0.800 1143 E CB -0.084 29.532 29.700 -0.139 0.000 0.746 1143 E HN 0.400 nan 8.360 nan 0.000 0.452 1144 R N 0.162 120.593 120.500 -0.115 0.000 2.096 1144 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 1144 R C 2.289 178.577 176.300 -0.020 0.000 1.127 1144 R CA 1.367 57.445 56.100 -0.037 0.000 0.968 1144 R CB -0.122 30.195 30.300 0.028 0.000 0.861 1144 R HN 0.116 nan 8.270 nan 0.000 0.440 1145 V N 1.091 120.979 119.914 -0.042 0.000 2.261 1145 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 1145 V C 2.428 178.463 176.094 -0.099 0.000 1.047 1145 V CA 2.026 64.329 62.300 0.004 0.000 1.015 1145 V CB -0.496 31.215 31.823 -0.187 0.000 0.642 1145 V HN 0.406 nan 8.190 nan 0.000 0.446 1146 R N -0.286 120.017 120.500 -0.328 0.000 2.096 1146 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 1146 R C 2.431 178.398 176.300 -0.555 0.000 1.127 1146 R CA 1.467 57.136 56.100 -0.718 0.000 0.968 1146 R CB -0.277 29.547 30.300 -0.794 0.000 0.861 1146 R HN 0.501 nan 8.270 nan 0.000 0.440 1147 R N -0.378 119.939 120.500 -0.305 0.000 2.175 1147 R HA 0.053 4.393 4.340 -0.000 0.000 0.202 1147 R C 1.396 177.631 176.300 -0.108 0.000 1.018 1147 R CA 0.778 56.758 56.100 -0.199 0.000 1.029 1147 R CB 0.345 30.561 30.300 -0.141 0.000 0.959 1147 R HN 0.309 nan 8.270 nan 0.000 0.480 1148 E N -0.185 119.981 120.200 -0.058 0.000 2.520 1148 E HA 0.120 4.470 4.350 -0.000 0.000 0.201 1148 E C 1.838 178.462 176.600 0.041 0.000 0.894 1148 E CA -0.034 56.370 56.400 0.006 0.000 1.161 1148 E CB 0.289 30.014 29.700 0.041 0.000 1.137 1148 E HN 0.010 nan 8.360 nan 0.000 0.510 1149 L N 0.236 121.514 121.223 0.091 0.000 2.095 1149 L HA 0.013 4.353 4.340 -0.000 0.000 0.204 1149 L C 2.318 179.066 176.870 -0.203 0.000 1.080 1149 L CA 0.778 55.698 54.840 0.134 0.000 0.759 1149 L CB -0.205 42.103 42.059 0.416 0.000 0.914 1149 L HN 0.289 nan 8.230 nan 0.000 0.439 1150 W N 0.686 121.740 121.300 -0.409 0.000 2.526 1150 W HA 0.163 4.823 4.660 -0.000 0.000 0.294 1150 W C 1.374 177.711 176.519 -0.303 0.000 1.181 1150 W CA 0.983 57.977 57.345 -0.586 0.000 1.373 1150 W CB 0.081 29.340 29.460 -0.335 0.000 1.112 1150 W HN 0.198 nan 8.180 nan 0.000 0.545 1151 A N 0.521 123.362 122.820 0.034 0.000 2.846 1151 A HA -0.324 3.996 4.320 -0.000 0.000 0.287 1151 A C 0.547 178.110 177.584 -0.035 0.000 1.469 1151 A CA 1.457 53.458 52.037 -0.060 0.000 0.757 1151 A CB -2.856 16.127 19.000 -0.029 0.000 1.033 1151 A HN 0.826 nan 8.150 nan 0.000 0.516 1152 Y N -3.975 116.236 120.300 -0.148 0.000 2.523 1152 Y HA 0.462 5.012 4.550 -0.000 0.000 0.279 1152 Y C 1.077 176.887 175.900 -0.150 0.000 1.139 1152 Y CA 0.086 58.065 58.100 -0.202 0.000 1.296 1152 Y CB -0.108 38.077 38.460 -0.458 0.000 1.045 1152 Y HN 0.502 nan 8.280 nan 0.000 0.538 1153 C N 2.309 121.338 119.300 -0.452 0.000 3.401 1153 C HA 0.488 4.948 4.460 -0.000 0.000 0.204 1153 C C 2.055 176.914 174.990 -0.220 0.000 1.522 1153 C CA -0.526 58.314 59.018 -0.296 0.000 1.409 1153 C CB -0.367 27.136 27.740 -0.395 0.000 1.967 1153 C HN 0.776 nan 8.230 nan 0.000 0.496 1154 G N 0.741 109.459 108.800 -0.138 0.000 2.498 1154 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.219 1154 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.219 1154 G C 1.411 176.268 174.900 -0.071 0.000 1.119 1154 G CA 1.029 46.071 45.100 -0.096 0.000 0.766 1154 G HN 0.584 nan 8.290 nan 0.000 0.552 1155 S N -0.382 115.279 115.700 -0.064 0.000 2.548 1155 S HA 0.134 4.604 4.470 -0.000 0.000 0.215 1155 S C 0.802 175.375 174.600 -0.046 0.000 0.976 1155 S CA -0.437 57.737 58.200 -0.044 0.000 0.908 1155 S CB 0.308 63.490 63.200 -0.030 0.000 0.781 1155 S HN 0.634 nan 8.310 nan 0.000 0.519 1156 E N 1.949 122.108 120.200 -0.068 0.000 2.414 1156 E HA 0.017 4.366 4.350 -0.000 0.000 0.263 1156 E C -0.357 176.219 176.600 -0.040 0.000 1.000 1156 E CA 0.328 56.692 56.400 -0.060 0.000 0.914 1156 E CB 0.343 29.984 29.700 -0.100 0.000 0.948 1156 E HN -0.027 nan 8.360 nan 0.000 0.444 1157 Q N 4.682 124.469 119.800 -0.021 0.000 2.650 1157 Q HA 0.328 4.668 4.340 -0.000 0.000 0.239 1157 Q C -1.967 174.034 176.000 0.002 0.000 0.893 1157 Q CA -0.187 55.611 55.803 -0.009 0.000 0.755 1157 Q CB 0.697 29.429 28.738 -0.009 0.000 1.349 1157 Q HN 0.529 nan 8.270 nan 0.000 0.461 1158 L N 2.426 123.657 121.223 0.012 0.000 2.346 1158 L HA 0.610 4.950 4.340 -0.000 0.000 0.274 1158 L C -0.083 176.798 176.870 0.017 0.000 1.007 1158 L CA -1.298 53.558 54.840 0.026 0.000 0.818 1158 L CB 1.736 43.831 42.059 0.061 0.000 1.284 1158 L HN 0.648 nan 8.230 nan 0.000 0.424 1159 D N 1.022 121.427 120.400 0.008 0.000 2.358 1159 D HA 0.113 4.753 4.640 -0.000 0.000 0.244 1159 D C 0.912 177.208 176.300 -0.007 0.000 1.163 1159 D CA -0.615 53.376 54.000 -0.015 0.000 0.945 1159 D CB 0.999 41.791 40.800 -0.014 0.000 1.152 1159 D HN 0.161 nan 8.370 nan 0.000 0.451 1160 V N 0.718 120.597 119.914 -0.058 0.000 2.490 1160 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 1160 V C 2.484 178.603 176.094 0.042 0.000 1.061 1160 V CA 2.238 64.513 62.300 -0.041 0.000 1.064 1160 V CB -1.241 30.496 31.823 -0.144 0.000 0.670 1160 V HN 0.775 nan 8.190 nan 0.000 0.461 1161 A N -0.072 122.771 122.820 0.037 0.000 1.902 1161 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 1161 A C 2.011 179.630 177.584 0.058 0.000 1.181 1161 A CA 2.065 54.135 52.037 0.055 0.000 0.623 1161 A CB -0.574 18.451 19.000 0.043 0.000 0.818 1161 A HN 0.513 nan 8.150 nan 0.000 0.443 1162 D N -0.150 120.282 120.400 0.053 0.000 2.224 1162 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 1162 D C 1.922 178.282 176.300 0.099 0.000 0.965 1162 D CA 0.678 54.711 54.000 0.055 0.000 0.852 1162 D CB -0.193 40.634 40.800 0.045 0.000 0.947 1162 D HN 0.482 nan 8.370 nan 0.000 0.494 1163 L N 0.199 121.517 121.223 0.158 0.000 2.056 1163 L HA -0.075 4.264 4.340 -0.000 0.000 0.207 1163 L C 2.500 179.527 176.870 0.261 0.000 1.078 1163 L CA 0.920 55.941 54.840 0.302 0.000 0.749 1163 L CB -0.290 41.930 42.059 0.267 0.000 0.901 1163 L HN -0.079 nan 8.230 nan 0.000 0.433 1164 R N 0.199 120.796 120.500 0.161 0.000 2.152 1164 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 1164 R C 2.091 178.434 176.300 0.071 0.000 1.117 1164 R CA 0.992 57.165 56.100 0.122 0.000 0.981 1164 R CB -0.177 30.184 30.300 0.102 0.000 0.870 1164 R HN 0.386 nan 8.270 nan 0.000 0.451 1165 R N 0.597 121.121 120.500 0.041 0.000 2.313 1165 R HA 0.126 4.466 4.340 -0.000 0.000 0.199 1165 R C 0.335 176.590 176.300 -0.075 0.000 0.958 1165 R CA 0.100 56.197 56.100 -0.005 0.000 1.047 1165 R CB 0.037 30.336 30.300 -0.003 0.000 0.955 1165 R HN 0.147 nan 8.270 nan 0.000 0.481 1166 L N -0.796 120.339 121.223 -0.147 0.000 3.634 1166 L HA -0.310 4.030 4.340 -0.000 0.000 0.423 1166 L C 1.636 178.208 176.870 -0.496 0.000 1.253 1166 L CA 0.766 55.321 54.840 -0.475 0.000 0.885 1166 L CB -1.867 40.038 42.059 -0.256 0.000 1.789 1166 L HN 0.370 nan 8.230 nan 0.000 0.904 1167 R N 0.219 120.534 120.500 -0.308 0.000 2.236 1167 R HA 0.039 4.379 4.340 -0.000 0.000 0.208 1167 R C 0.783 177.005 176.300 -0.129 0.000 1.036 1167 R CA 1.470 57.475 56.100 -0.157 0.000 1.001 1167 R CB -0.701 29.575 30.300 -0.041 0.000 0.896 1167 R HN 0.663 nan 8.270 nan 0.000 0.464 1168 Y N -0.771 119.516 120.300 -0.021 0.000 2.289 1168 Y HA 0.600 5.149 4.550 -0.000 0.000 0.332 1168 Y C 0.078 175.959 175.900 -0.032 0.000 1.324 1168 Y CA -1.960 56.109 58.100 -0.051 0.000 1.478 1168 Y CB 0.806 39.201 38.460 -0.108 0.000 1.378 1168 Y HN -0.213 nan 8.280 nan 0.000 0.558 1169 K N 1.062 121.601 120.400 0.233 0.000 2.138 1169 K HA 0.613 4.933 4.320 -0.000 0.000 0.263 1169 K C 0.018 176.802 176.600 0.306 0.000 0.965 1169 K CA 0.037 56.423 56.287 0.166 0.000 0.868 1169 K CB 1.187 33.759 32.500 0.120 0.000 1.083 1169 K HN 1.175 nan 8.250 nan 0.000 0.443 1170 G N 1.296 110.182 108.800 0.144 0.000 2.662 1170 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.686 1170 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.686 1170 G C -0.634 174.431 174.900 0.275 0.000 1.271 1170 G CA -0.511 44.687 45.100 0.164 0.000 0.816 1170 G HN 0.690 nan 8.290 nan 0.000 0.608 1171 I N -2.490 118.219 120.570 0.232 0.000 3.074 1171 I HA 0.952 5.122 4.170 -0.000 0.000 0.310 1171 I C 0.236 176.540 176.117 0.311 0.000 1.153 1171 I CA -1.705 59.650 61.300 0.092 0.000 0.993 1171 I CB 2.491 40.103 38.000 -0.646 0.000 1.237 1171 I HN 0.861 nan 8.210 nan 0.000 0.443 1172 R N 1.120 121.805 120.500 0.308 0.000 2.795 1172 R HA 0.488 4.827 4.340 -0.000 0.000 0.320 1172 R C -2.941 173.545 176.300 0.310 0.000 1.223 1172 R CA -1.234 55.023 56.100 0.262 0.000 1.305 1172 R CB -0.083 30.205 30.300 -0.021 0.000 1.318 1172 R HN 0.402 nan 8.270 nan 0.000 0.636 1173 P HA 0.142 nan 4.420 nan 0.000 0.275 1173 P C -0.555 176.801 177.300 0.094 0.000 1.227 1173 P CA -0.016 63.250 63.100 0.276 0.000 0.781 1173 P CB 1.561 33.422 31.700 0.268 0.000 0.906 1174 A N 4.901 127.715 122.820 -0.011 0.000 2.312 1174 A HA 0.636 4.956 4.320 -0.000 0.000 0.326 1174 A C -2.411 175.236 177.584 0.105 0.000 1.172 1174 A CA -2.138 49.905 52.037 0.010 0.000 0.821 1174 A CB -0.307 18.690 19.000 -0.004 0.000 1.166 1174 A HN 0.352 nan 8.150 nan 0.000 0.493 1175 P HA 0.235 nan 4.420 nan 0.000 0.264 1175 P C 1.091 178.260 177.300 -0.218 0.000 1.183 1175 P CA 2.132 65.213 63.100 -0.032 0.000 0.763 1175 P CB 0.648 32.342 31.700 -0.010 0.000 0.807 1176 G N 1.061 109.617 108.800 -0.406 0.000 2.254 1176 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.225 1176 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.225 1176 G C -0.054 174.575 174.900 -0.451 0.000 1.003 1176 G CA -0.480 44.069 45.100 -0.918 0.000 0.622 1176 G HN 0.424 nan 8.290 nan 0.000 0.507 1177 Y N 1.058 121.229 120.300 -0.215 0.000 2.281 1177 Y HA 0.420 4.970 4.550 -0.000 0.000 0.337 1177 Y C -0.705 175.118 175.900 -0.129 0.000 1.304 1177 Y CA -1.015 57.006 58.100 -0.131 0.000 1.465 1177 Y CB 0.559 38.952 38.460 -0.112 0.000 1.350 1177 Y HN -0.063 nan 8.280 nan 0.000 0.575 1178 P HA -0.168 nan 4.420 nan 0.000 0.221 1178 P C 1.115 178.327 177.300 -0.148 0.000 1.145 1178 P CA 2.068 65.142 63.100 -0.044 0.000 0.795 1178 P CB 0.049 31.735 31.700 -0.023 0.000 0.775 1179 S N -2.561 112.990 115.700 -0.249 0.000 2.447 1179 S HA -0.053 4.417 4.470 -0.000 0.000 0.233 1179 S C 1.054 175.482 174.600 -0.288 0.000 1.006 1179 S CA 0.658 58.497 58.200 -0.601 0.000 0.957 1179 S CB -0.390 62.478 63.200 -0.554 0.000 0.773 1179 S HN 0.055 nan 8.310 nan 0.000 0.507 1180 Q N 0.265 120.006 119.800 -0.099 0.000 3.782 1180 Q HA 0.267 4.606 4.340 -0.000 0.000 0.173 1180 Q C -2.956 173.026 176.000 -0.031 0.000 0.841 1180 Q CA -0.962 54.836 55.803 -0.009 0.000 0.810 1180 Q CB 1.497 30.276 28.738 0.068 0.000 1.481 1180 Q HN 0.129 nan 8.270 nan 0.000 0.465 1181 P HA -0.046 nan 4.420 nan 0.000 0.239 1181 P C 0.047 177.316 177.300 -0.052 0.000 1.184 1181 P CA 0.496 63.553 63.100 -0.072 0.000 0.760 1181 P CB 0.225 31.910 31.700 -0.026 0.000 0.884 1182 D N -0.417 119.976 120.400 -0.012 0.000 2.383 1182 D HA -0.040 4.600 4.640 -0.000 0.000 0.245 1182 D C 1.143 177.428 176.300 -0.026 0.000 1.263 1182 D CA -0.000 54.030 54.000 0.050 0.000 0.936 1182 D CB -0.184 40.701 40.800 0.141 0.000 1.053 1182 D HN 0.240 nan 8.370 nan 0.000 0.507 1183 H N 1.871 120.913 119.070 -0.045 0.000 2.457 1183 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 1183 H C 1.732 176.918 175.328 -0.238 0.000 1.092 1183 H CA 1.762 57.742 56.048 -0.113 0.000 1.309 1183 H CB 0.126 29.831 29.762 -0.095 0.000 1.382 1183 H HN 0.511 nan 8.280 nan 0.000 0.535 1184 T N -0.875 113.490 114.554 -0.315 0.000 3.051 1184 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 1184 T C 1.567 176.173 174.700 -0.157 0.000 1.127 1184 T CA 0.603 62.447 62.100 -0.427 0.000 1.107 1184 T CB 0.069 68.499 68.868 -0.729 0.000 0.898 1184 T HN 0.214 nan 8.240 nan 0.000 0.517 1185 E N 1.614 121.803 120.200 -0.017 0.000 2.265 1185 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 1185 E C 2.052 178.767 176.600 0.192 0.000 0.996 1185 E CA 0.700 57.188 56.400 0.147 0.000 0.832 1185 E CB -0.162 29.690 29.700 0.253 0.000 0.756 1185 E HN 0.652 nan 8.360 nan 0.000 0.491 1186 K N 0.463 120.916 120.400 0.088 0.000 2.103 1186 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 1186 K C 2.269 178.965 176.600 0.161 0.000 1.048 1186 K CA 0.755 57.117 56.287 0.126 0.000 0.930 1186 K CB -0.170 32.276 32.500 -0.089 0.000 0.716 1186 K HN 0.107 nan 8.250 nan 0.000 0.444 1187 L N 0.455 121.686 121.223 0.013 0.000 2.042 1187 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 1187 L C 2.347 179.275 176.870 0.097 0.000 1.076 1187 L CA 1.417 56.268 54.840 0.019 0.000 0.749 1187 L CB -0.797 41.219 42.059 -0.073 0.000 0.893 1187 L HN 0.232 nan 8.230 nan 0.000 0.432 1188 T N -0.586 114.012 114.554 0.073 0.000 2.777 1188 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 1188 T C 1.937 176.690 174.700 0.088 0.000 1.040 1188 T CA 1.298 63.383 62.100 -0.025 0.000 1.141 1188 T CB -0.166 68.553 68.868 -0.248 0.000 0.868 1188 T HN 0.211 nan 8.240 nan 0.000 0.444 1189 M N -0.338 119.466 119.600 0.340 0.000 2.080 1189 M HA -0.117 4.363 4.480 -0.000 0.000 0.260 1189 M C 2.318 178.718 176.300 0.167 0.000 1.068 1189 M CA 1.832 57.321 55.300 0.314 0.000 1.109 1189 M CB -0.337 32.464 32.600 0.335 0.000 1.342 1189 M HN 0.362 nan 8.290 nan 0.000 0.405 1190 W N 0.464 121.767 121.300 0.005 0.000 2.381 1190 W HA -0.136 4.524 4.660 -0.000 0.000 0.301 1190 W C 2.561 179.072 176.519 -0.013 0.000 1.205 1190 W CA 1.111 58.453 57.345 -0.005 0.000 1.285 1190 W CB -0.383 29.070 29.460 -0.012 0.000 1.133 1190 W HN 0.270 nan 8.180 nan 0.000 0.521 1191 R N -0.060 120.533 120.500 0.156 0.000 2.075 1191 R HA -0.213 4.127 4.340 -0.000 0.000 0.230 1191 R C 2.192 178.478 176.300 -0.024 0.000 1.140 1191 R CA 1.699 57.824 56.100 0.042 0.000 0.928 1191 R CB -1.248 29.046 30.300 -0.010 0.000 0.834 1191 R HN 0.099 nan 8.270 nan 0.000 0.429 1192 L N 0.666 121.833 121.223 -0.093 0.000 2.013 1192 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 1192 L C 1.835 178.666 176.870 -0.065 0.000 1.073 1192 L CA 2.267 56.988 54.840 -0.198 0.000 0.753 1192 L CB -0.488 41.311 42.059 -0.433 0.000 0.890 1192 L HN 0.200 nan 8.230 nan 0.000 0.432 1193 A N -1.781 121.035 122.820 -0.007 0.000 2.345 1193 A HA 0.157 4.477 4.320 -0.000 0.000 0.225 1193 A C 0.721 178.302 177.584 -0.004 0.000 1.243 1193 A CA 0.520 52.618 52.037 0.101 0.000 0.875 1193 A CB -0.549 18.520 19.000 0.116 0.000 0.929 1193 A HN 0.565 nan 8.150 nan 0.000 0.502 1194 D N -0.624 119.763 120.400 -0.021 0.000 2.686 1194 D HA -0.191 4.449 4.640 -0.000 0.000 0.235 1194 D C 0.682 176.936 176.300 -0.077 0.000 1.160 1194 D CA 0.852 54.840 54.000 -0.019 0.000 0.645 1194 D CB -1.598 39.206 40.800 0.006 0.000 1.039 1194 D HN 0.563 nan 8.370 nan 0.000 0.423 1195 I N -0.322 120.116 120.570 -0.220 0.000 2.179 1195 I HA -0.225 3.944 4.170 -0.000 0.000 0.242 1195 I C 2.434 178.458 176.117 -0.155 0.000 1.088 1195 I CA 1.390 62.447 61.300 -0.406 0.000 1.357 1195 I CB -0.211 37.066 38.000 -1.206 0.000 1.051 1195 I HN 0.289 nan 8.210 nan 0.000 0.409 1196 E N 0.621 120.845 120.200 0.040 0.000 2.051 1196 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 1196 E C 2.213 178.875 176.600 0.102 0.000 0.991 1196 E CA 1.133 57.646 56.400 0.188 0.000 0.799 1196 E CB 0.134 30.001 29.700 0.279 0.000 0.748 1196 E HN 0.371 nan 8.360 nan 0.000 0.449 1197 Q N -0.048 119.790 119.800 0.063 0.000 2.224 1197 Q HA -0.085 4.254 4.340 -0.000 0.000 0.203 1197 Q C 2.276 178.286 176.000 0.015 0.000 0.970 1197 Q CA 1.492 57.318 55.803 0.038 0.000 0.865 1197 Q CB 0.061 28.817 28.738 0.030 0.000 0.922 1197 Q HN 0.343 nan 8.270 nan 0.000 0.445 1198 S N -1.020 114.679 115.700 -0.001 0.000 2.458 1198 S HA -0.019 4.451 4.470 -0.000 0.000 0.223 1198 S C 1.776 176.376 174.600 0.001 0.000 1.019 1198 S CA 1.132 59.323 58.200 -0.016 0.000 0.937 1198 S CB 0.067 63.244 63.200 -0.039 0.000 0.788 1198 S HN 0.400 nan 8.310 nan 0.000 0.511 1199 T N -4.448 110.124 114.554 0.029 0.000 2.993 1199 T HA 0.519 4.869 4.350 -0.000 0.000 0.260 1199 T C 1.571 176.354 174.700 0.139 0.000 0.939 1199 T CA 0.775 62.924 62.100 0.081 0.000 0.886 1199 T CB 0.050 68.983 68.868 0.109 0.000 1.209 1199 T HN 1.208 nan 8.240 nan 0.000 0.518 1200 G N 1.997 110.888 108.800 0.152 0.000 2.184 1200 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.264 1200 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.264 1200 G C 0.024 175.181 174.900 0.428 0.000 0.975 1200 G CA 0.221 45.463 45.100 0.237 0.000 0.642 1200 G HN 0.713 nan 8.290 nan 0.000 0.536 1201 I N 0.924 121.739 120.570 0.408 0.000 2.396 1201 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 1201 I C 0.876 177.285 176.117 0.486 0.000 1.056 1201 I CA -0.350 61.187 61.300 0.395 0.000 1.365 1201 I CB 0.985 39.195 38.000 0.350 0.000 1.407 1201 I HN 0.150 nan 8.210 nan 0.000 0.509 1202 R N 6.608 127.286 120.500 0.297 0.000 2.589 1202 R HA 0.611 4.951 4.340 -0.000 0.000 0.293 1202 R C -1.214 175.033 176.300 -0.087 0.000 0.963 1202 R CA -0.775 55.422 56.100 0.161 0.000 0.905 1202 R CB 1.291 31.649 30.300 0.097 0.000 1.144 1202 R HN 0.596 nan 8.270 nan 0.000 0.459 1203 L N 3.975 124.995 121.223 -0.339 0.000 2.290 1203 L HA 0.272 4.612 4.340 -0.000 0.000 0.284 1203 L C 0.893 177.625 176.870 -0.230 0.000 1.078 1203 L CA -0.498 54.062 54.840 -0.467 0.000 0.815 1203 L CB 1.479 43.104 42.059 -0.724 0.000 1.162 1203 L HN 0.833 nan 8.230 nan 0.000 0.435 1204 T N -1.742 112.705 114.554 -0.178 0.000 2.732 1204 T HA 0.053 4.403 4.350 -0.000 0.000 0.287 1204 T C 1.000 175.644 174.700 -0.092 0.000 0.993 1204 T CA -0.500 61.537 62.100 -0.105 0.000 0.966 1204 T CB 1.049 69.868 68.868 -0.083 0.000 1.047 1204 T HN 0.716 nan 8.240 nan 0.000 0.527 1205 E N 0.056 120.224 120.200 -0.053 0.000 2.160 1205 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 1205 E C 1.912 178.511 176.600 -0.001 0.000 0.991 1205 E CA 1.467 57.854 56.400 -0.022 0.000 0.810 1205 E CB -0.264 29.429 29.700 -0.012 0.000 0.742 1205 E HN 0.779 nan 8.360 nan 0.000 0.466 1206 S N -0.414 115.268 115.700 -0.030 0.000 2.593 1206 S HA 0.077 4.547 4.470 -0.000 0.000 0.217 1206 S C 1.109 175.665 174.600 -0.075 0.000 0.966 1206 S CA 0.260 58.444 58.200 -0.026 0.000 0.914 1206 S CB -0.066 63.096 63.200 -0.064 0.000 0.776 1206 S HN 0.444 nan 8.310 nan 0.000 0.523 1207 L N -1.138 120.017 121.223 -0.113 0.000 4.560 1207 L HA -0.186 4.154 4.340 -0.000 0.000 0.415 1207 L C 0.680 177.440 176.870 -0.183 0.000 1.123 1207 L CA 0.097 54.828 54.840 -0.182 0.000 0.991 1207 L CB -2.706 39.254 42.059 -0.165 0.000 2.127 1207 L HN 0.546 nan 8.230 nan 0.000 0.765 1208 A N 0.075 122.802 122.820 -0.155 0.000 2.332 1208 A HA 0.670 4.990 4.320 -0.000 0.000 0.258 1208 A C 0.439 177.928 177.584 -0.158 0.000 1.087 1208 A CA -0.156 51.807 52.037 -0.125 0.000 0.802 1208 A CB 0.434 19.377 19.000 -0.095 0.000 1.042 1208 A HN 0.246 nan 8.150 nan 0.000 0.489 1209 M N 0.965 120.497 119.600 -0.113 0.000 2.250 1209 M HA 0.473 4.953 4.480 -0.000 0.000 0.344 1209 M C 0.187 176.451 176.300 -0.060 0.000 1.150 1209 M CA 0.197 55.443 55.300 -0.091 0.000 1.147 1209 M CB 1.389 33.992 32.600 0.004 0.000 1.498 1209 M HN 0.755 nan 8.290 nan 0.000 0.461 1210 A N 4.610 127.406 122.820 -0.039 0.000 2.359 1210 A HA 0.810 5.130 4.320 -0.000 0.000 0.303 1210 A C -2.715 174.836 177.584 -0.055 0.000 1.066 1210 A CA -1.601 50.410 52.037 -0.043 0.000 0.730 1210 A CB 0.811 19.798 19.000 -0.022 0.000 1.211 1210 A HN 0.451 nan 8.150 nan 0.000 0.439 1211 P HA 0.255 nan 4.420 nan 0.000 0.274 1211 P C 0.838 178.055 177.300 -0.138 0.000 1.256 1211 P CA 0.233 63.214 63.100 -0.199 0.000 0.795 1211 P CB 1.110 32.590 31.700 -0.367 0.000 1.038 1212 A N 1.088 123.852 122.820 -0.092 0.000 2.015 1212 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 1212 A C 1.314 178.871 177.584 -0.047 0.000 1.163 1212 A CA 1.099 53.103 52.037 -0.056 0.000 0.646 1212 A CB -1.235 17.741 19.000 -0.041 0.000 0.806 1212 A HN 0.538 nan 8.150 nan 0.000 0.448 1213 S N 0.748 116.410 115.700 -0.064 0.000 3.517 1213 S HA 0.557 5.027 4.470 -0.000 0.000 0.284 1213 S C -0.048 174.526 174.600 -0.043 0.000 1.260 1213 S CA 0.375 58.552 58.200 -0.039 0.000 0.975 1213 S CB -0.496 62.685 63.200 -0.031 0.000 1.540 1213 S HN 0.802 nan 8.310 nan 0.000 0.506 1214 A N 2.268 125.080 122.820 -0.015 0.000 2.604 1214 A HA 0.822 5.142 4.320 -0.000 0.000 0.295 1214 A C -1.202 176.398 177.584 0.026 0.000 1.067 1214 A CA -0.693 51.342 52.037 -0.003 0.000 0.683 1214 A CB 1.373 20.366 19.000 -0.011 0.000 1.281 1214 A HN 0.402 nan 8.150 nan 0.000 0.407 1215 V N 0.875 120.802 119.914 0.021 0.000 2.932 1215 V HA 0.823 4.943 4.120 -0.000 0.000 0.307 1215 V C -0.045 175.953 176.094 -0.159 0.000 1.147 1215 V CA 0.009 62.322 62.300 0.022 0.000 0.951 1215 V CB 2.006 33.908 31.823 0.132 0.000 1.031 1215 V HN 1.645 nan 8.190 nan 0.000 0.426 1216 S N 1.657 117.139 115.700 -0.364 0.000 2.685 1216 S HA 1.051 5.520 4.470 -0.000 0.000 0.282 1216 S C -0.398 173.569 174.600 -1.055 0.000 1.159 1216 S CA -0.127 57.519 58.200 -0.923 0.000 0.833 1216 S CB 2.402 65.434 63.200 -0.280 0.000 1.151 1216 S HN 2.083 nan 8.310 nan 0.000 0.485 1217 G N -0.317 107.738 108.800 -1.243 0.000 2.328 1217 G HA2 0.453 4.413 3.960 -0.000 0.000 0.295 1217 G HA3 0.453 4.413 3.960 -0.000 0.000 0.295 1217 G C -2.174 172.465 174.900 -0.435 0.000 1.413 1217 G CA -0.993 43.780 45.100 -0.545 0.000 0.817 1217 G HN 0.831 nan 8.290 nan 0.000 0.546 1218 L N 0.217 121.321 121.223 -0.198 0.000 2.309 1218 L HA 0.515 4.855 4.340 -0.000 0.000 0.282 1218 L C -0.850 176.028 176.870 0.014 0.000 1.036 1218 L CA -0.973 53.751 54.840 -0.193 0.000 0.806 1218 L CB 1.445 43.384 42.059 -0.201 0.000 1.220 1218 L HN 0.475 nan 8.230 nan 0.000 0.429 1219 Y N 2.347 122.731 120.300 0.140 0.000 2.341 1219 Y HA 0.408 4.958 4.550 -0.000 0.000 0.340 1219 Y C -0.349 175.684 175.900 0.222 0.000 0.997 1219 Y CA -0.512 57.769 58.100 0.302 0.000 1.149 1219 Y CB 0.753 39.531 38.460 0.532 0.000 1.171 1219 Y HN 0.248 nan 8.280 nan 0.000 0.494 1220 F N 1.093 121.286 119.950 0.405 0.000 2.458 1220 F HA 0.261 4.787 4.527 -0.000 0.000 0.336 1220 F C 1.101 176.849 175.800 -0.087 0.000 1.114 1220 F CA -0.498 57.644 58.000 0.237 0.000 0.987 1220 F CB 1.954 41.067 39.000 0.188 0.000 1.130 1220 F HN 0.514 nan 8.300 nan 0.000 0.458 1221 S N 0.930 116.430 115.700 -0.333 0.000 2.524 1221 S HA 0.006 4.476 4.470 -0.000 0.000 0.216 1221 S C 0.585 174.754 174.600 -0.718 0.000 0.987 1221 S CA -0.297 57.171 58.200 -1.219 0.000 0.909 1221 S CB -0.237 61.575 63.200 -2.313 0.000 0.781 1221 S HN 0.617 nan 8.310 nan 0.000 0.521 1222 N N 1.391 119.965 118.700 -0.210 0.000 2.454 1222 N HA 0.105 4.845 4.740 -0.000 0.000 0.260 1222 N C 1.388 176.807 175.510 -0.152 0.000 1.218 1222 N CA 0.671 53.667 53.050 -0.089 0.000 0.904 1222 N CB 1.212 39.773 38.487 0.123 0.000 1.065 1222 N HN 0.353 nan 8.380 nan 0.000 0.462 1223 L N 4.412 125.570 121.223 -0.107 0.000 2.275 1223 L HA -0.031 4.309 4.340 -0.000 0.000 0.215 1223 L C 2.123 178.923 176.870 -0.117 0.000 1.119 1223 L CA 1.613 56.405 54.840 -0.080 0.000 0.790 1223 L CB -1.006 41.036 42.059 -0.028 0.000 0.919 1223 L HN 0.657 nan 8.230 nan 0.000 0.443 1224 K N 0.680 121.012 120.400 -0.113 0.000 2.404 1224 K HA 0.136 4.455 4.320 -0.000 0.000 0.194 1224 K C 1.100 177.446 176.600 -0.424 0.000 1.023 1224 K CA 0.564 56.774 56.287 -0.127 0.000 1.094 1224 K CB 0.026 32.590 32.500 0.107 0.000 0.841 1224 K HN 0.739 nan 8.250 nan 0.000 0.523 1225 S N 2.367 117.677 115.700 -0.650 0.000 2.572 1225 S HA 0.128 4.598 4.470 -0.000 0.000 0.279 1225 S C -0.221 173.791 174.600 -0.980 0.000 1.341 1225 S CA -0.506 56.803 58.200 -1.484 0.000 1.043 1225 S CB 0.556 63.113 63.200 -1.072 0.000 0.887 1225 S HN 0.302 nan 8.310 nan 0.000 0.516 1226 K N 0.682 120.467 120.400 -1.025 0.000 2.551 1226 K HA 0.404 4.724 4.320 -0.000 0.000 0.269 1226 K C -1.745 174.706 176.600 -0.249 0.000 0.949 1226 K CA -1.000 54.982 56.287 -0.508 0.000 0.849 1226 K CB 0.523 32.795 32.500 -0.380 0.000 1.411 1226 K HN 0.502 nan 8.250 nan 0.000 0.432 1227 Y N 1.327 121.588 120.300 -0.066 0.000 2.379 1227 Y HA 0.377 4.927 4.550 -0.000 0.000 0.337 1227 Y C 0.212 176.129 175.900 0.028 0.000 1.238 1227 Y CA 0.378 58.448 58.100 -0.050 0.000 1.405 1227 Y CB 0.433 38.844 38.460 -0.080 0.000 1.310 1227 Y HN 0.613 nan 8.280 nan 0.000 0.569 1228 F N -1.267 118.725 119.950 0.070 0.000 2.741 1228 F HA 0.821 5.348 4.527 -0.000 0.000 0.311 1228 F C -1.513 174.317 175.800 0.051 0.000 1.149 1228 F CA -2.014 55.976 58.000 -0.017 0.000 0.930 1228 F CB 0.780 39.685 39.000 -0.158 0.000 1.312 1228 F HN 0.480 nan 8.300 nan 0.000 0.450 1229 A N 1.726 124.649 122.820 0.171 0.000 2.260 1229 A HA 0.626 4.946 4.320 -0.000 0.000 0.314 1229 A C 0.528 178.287 177.584 0.292 0.000 1.257 1229 A CA -0.482 51.615 52.037 0.100 0.000 0.871 1229 A CB 0.953 20.006 19.000 0.090 0.000 1.166 1229 A HN 0.963 nan 8.150 nan 0.000 0.522 1230 V N 3.253 123.297 119.914 0.218 0.000 2.324 1230 V HA -0.032 4.088 4.120 -0.000 0.000 0.250 1230 V C 1.877 178.111 176.094 0.234 0.000 1.060 1230 V CA 2.236 64.720 62.300 0.307 0.000 1.042 1230 V CB -1.924 30.014 31.823 0.192 0.000 0.650 1230 V HN 1.940 nan 8.190 nan 0.000 0.450 1231 G N -0.442 108.455 108.800 0.161 0.000 2.698 1231 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.233 1231 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.233 1231 G C -0.315 174.680 174.900 0.158 0.000 1.352 1231 G CA -0.034 45.156 45.100 0.149 0.000 0.879 1231 G HN 0.462 nan 8.290 nan 0.000 0.567 1232 K N 0.168 120.690 120.400 0.203 0.000 2.326 1232 K HA 0.499 4.819 4.320 -0.000 0.000 0.275 1232 K C 0.781 177.533 176.600 0.254 0.000 1.018 1232 K CA 0.468 56.887 56.287 0.220 0.000 0.962 1232 K CB 0.681 33.360 32.500 0.299 0.000 0.953 1232 K HN 0.675 nan 8.250 nan 0.000 0.475 1233 I N -2.150 118.461 120.570 0.069 0.000 2.846 1233 I HA 0.437 4.606 4.170 -0.000 0.000 0.307 1233 I C -0.296 175.760 176.117 -0.102 0.000 1.053 1233 I CA -0.866 60.447 61.300 0.022 0.000 1.050 1233 I CB 2.206 40.234 38.000 0.047 0.000 1.239 1233 I HN 0.273 nan 8.210 nan 0.000 0.439 1234 S N 1.656 117.290 115.700 -0.109 0.000 2.693 1234 S HA 0.245 4.715 4.470 -0.000 0.000 0.276 1234 S C 0.781 175.338 174.600 -0.071 0.000 1.192 1234 S CA -0.601 57.514 58.200 -0.141 0.000 0.994 1234 S CB 1.659 64.756 63.200 -0.172 0.000 1.012 1234 S HN 0.736 nan 8.310 nan 0.000 0.550 1235 K N 1.752 121.904 120.400 -0.414 0.000 2.103 1235 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 1235 K C 1.498 177.984 176.600 -0.190 0.000 1.048 1235 K CA 2.130 58.100 56.287 -0.528 0.000 0.930 1235 K CB -0.380 31.623 32.500 -0.828 0.000 0.716 1235 K HN 0.691 nan 8.250 nan 0.000 0.444 1236 D N -0.016 120.300 120.400 -0.140 0.000 2.123 1236 D HA -0.263 4.377 4.640 -0.000 0.000 0.196 1236 D C 1.888 178.184 176.300 -0.006 0.000 0.992 1236 D CA 1.533 55.496 54.000 -0.062 0.000 0.833 1236 D CB -0.564 40.206 40.800 -0.049 0.000 0.954 1236 D HN 0.533 nan 8.370 nan 0.000 0.455 1237 Q N 0.300 120.106 119.800 0.010 0.000 2.123 1237 Q HA -0.063 4.277 4.340 -0.000 0.000 0.199 1237 Q C 2.262 178.319 176.000 0.096 0.000 0.966 1237 Q CA 0.919 56.756 55.803 0.057 0.000 0.845 1237 Q CB 0.121 28.890 28.738 0.050 0.000 0.907 1237 Q HN 0.176 nan 8.270 nan 0.000 0.439 1238 V N 1.393 121.358 119.914 0.085 0.000 2.287 1238 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 1238 V C 1.968 178.145 176.094 0.138 0.000 1.053 1238 V CA 2.335 64.713 62.300 0.131 0.000 1.027 1238 V CB -0.545 31.382 31.823 0.174 0.000 0.646 1238 V HN 0.430 nan 8.190 nan 0.000 0.447 1239 E N -0.355 119.889 120.200 0.073 0.000 2.106 1239 E HA -0.253 4.097 4.350 -0.000 0.000 0.192 1239 E C 1.985 178.625 176.600 0.067 0.000 0.984 1239 E CA 1.462 57.894 56.400 0.053 0.000 0.806 1239 E CB -0.176 29.528 29.700 0.007 0.000 0.750 1239 E HN 0.664 nan 8.360 nan 0.000 0.458 1240 D N -0.286 120.164 120.400 0.082 0.000 2.117 1240 D HA -0.189 4.450 4.640 -0.000 0.000 0.198 1240 D C 1.732 178.105 176.300 0.122 0.000 0.982 1240 D CA 0.797 54.850 54.000 0.089 0.000 0.828 1240 D CB -0.058 40.798 40.800 0.093 0.000 0.967 1240 D HN 0.121 nan 8.370 nan 0.000 0.464 1241 Y N 0.783 121.099 120.300 0.026 0.000 2.145 1241 Y HA -0.143 4.407 4.550 -0.000 0.000 0.286 1241 Y C 2.151 178.021 175.900 -0.049 0.000 1.145 1241 Y CA 1.837 59.943 58.100 0.011 0.000 1.148 1241 Y CB -0.629 37.851 38.460 0.033 0.000 0.981 1241 Y HN 0.037 nan 8.280 nan 0.000 0.507 1242 A N 0.016 122.884 122.820 0.079 0.000 1.908 1242 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 1242 A C 2.202 179.736 177.584 -0.084 0.000 1.181 1242 A CA 1.853 53.880 52.037 -0.017 0.000 0.627 1242 A CB -1.300 17.734 19.000 0.056 0.000 0.818 1242 A HN 0.561 nan 8.150 nan 0.000 0.445 1243 L N -0.358 120.843 121.223 -0.037 0.000 2.012 1243 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 1243 L C 2.438 179.270 176.870 -0.063 0.000 1.073 1243 L CA 2.197 57.017 54.840 -0.034 0.000 0.748 1243 L CB -0.540 41.520 42.059 0.002 0.000 0.891 1243 L HN 0.347 nan 8.230 nan 0.000 0.431 1244 R N -0.471 119.980 120.500 -0.082 0.000 2.081 1244 R HA -0.098 4.241 4.340 -0.000 0.000 0.235 1244 R C 2.150 178.317 176.300 -0.221 0.000 1.131 1244 R CA 1.594 57.666 56.100 -0.046 0.000 0.960 1244 R CB -0.226 30.105 30.300 0.051 0.000 0.856 1244 R HN 0.320 nan 8.270 nan 0.000 0.436 1245 K N 0.050 120.091 120.400 -0.597 0.000 2.459 1245 K HA -0.011 4.308 4.320 -0.000 0.000 0.193 1245 K C 0.150 176.545 176.600 -0.343 0.000 1.030 1245 K CA 0.210 56.018 56.287 -0.797 0.000 1.026 1245 K CB 0.072 31.971 32.500 -1.001 0.000 0.809 1245 K HN 0.084 nan 8.250 nan 0.000 0.504 1246 N N 1.154 119.733 118.700 -0.202 0.000 2.738 1246 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 1246 N C -0.901 174.554 175.510 -0.091 0.000 1.047 1246 N CA 0.739 53.725 53.050 -0.106 0.000 0.707 1246 N CB -1.471 36.973 38.487 -0.071 0.000 0.937 1246 N HN 0.437 nan 8.380 nan 0.000 0.545 1247 I N -3.655 116.859 120.570 -0.092 0.000 3.042 1247 I HA 0.659 4.829 4.170 -0.000 0.000 0.310 1247 I C 0.482 176.597 176.117 -0.003 0.000 1.117 1247 I CA -0.996 60.281 61.300 -0.038 0.000 1.003 1247 I CB 1.991 39.974 38.000 -0.028 0.000 1.228 1247 I HN 0.152 nan 8.210 nan 0.000 0.443 1248 S N 1.943 117.659 115.700 0.027 0.000 2.585 1248 S HA 0.259 4.728 4.470 -0.000 0.000 0.273 1248 S C 0.973 175.605 174.600 0.053 0.000 1.339 1248 S CA -0.621 57.597 58.200 0.030 0.000 1.028 1248 S CB 1.688 64.904 63.200 0.026 0.000 0.906 1248 S HN 0.555 nan 8.310 nan 0.000 0.528 1249 V N 2.602 122.544 119.914 0.047 0.000 2.332 1249 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 1249 V C 2.985 179.118 176.094 0.065 0.000 1.055 1249 V CA 2.395 64.735 62.300 0.065 0.000 1.038 1249 V CB -1.813 30.040 31.823 0.050 0.000 0.651 1249 V HN 1.048 nan 8.190 nan 0.000 0.450 1250 A N -0.336 122.505 122.820 0.036 0.000 1.917 1250 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 1250 A C 2.167 179.745 177.584 -0.010 0.000 1.182 1250 A CA 2.273 54.316 52.037 0.008 0.000 0.633 1250 A CB -0.529 18.466 19.000 -0.008 0.000 0.819 1250 A HN 0.653 nan 8.150 nan 0.000 0.448 1251 E N -0.593 119.624 120.200 0.028 0.000 2.047 1251 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 1251 E C 2.009 178.698 176.600 0.149 0.000 0.987 1251 E CA 1.241 57.672 56.400 0.051 0.000 0.799 1251 E CB -0.281 29.532 29.700 0.188 0.000 0.752 1251 E HN 0.398 nan 8.360 nan 0.000 0.449 1252 V N 1.689 121.732 119.914 0.215 0.000 2.332 1252 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 1252 V C 2.003 178.194 176.094 0.162 0.000 1.055 1252 V CA 1.966 64.432 62.300 0.277 0.000 1.038 1252 V CB -0.495 31.489 31.823 0.269 0.000 0.651 1252 V HN 0.256 nan 8.190 nan 0.000 0.450 1253 E N -0.105 120.142 120.200 0.079 0.000 2.204 1253 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 1253 E C 2.218 178.779 176.600 -0.064 0.000 0.990 1253 E CA 1.252 57.659 56.400 0.013 0.000 0.821 1253 E CB -0.113 29.598 29.700 0.018 0.000 0.750 1253 E HN 0.606 nan 8.360 nan 0.000 0.477 1254 K N 0.527 120.842 120.400 -0.142 0.000 2.001 1254 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 1254 K C 1.686 178.120 176.600 -0.276 0.000 1.048 1254 K CA 1.361 57.461 56.287 -0.312 0.000 0.932 1254 K CB -0.153 32.017 32.500 -0.551 0.000 0.715 1254 K HN 0.115 nan 8.250 nan 0.000 0.437 1255 W N 0.880 122.185 121.300 0.008 0.000 2.402 1255 W HA 0.005 4.665 4.660 -0.000 0.000 0.286 1255 W C 1.319 177.849 176.519 0.019 0.000 1.221 1255 W CA 0.193 57.553 57.345 0.026 0.000 1.257 1255 W CB 0.120 29.616 29.460 0.060 0.000 1.120 1255 W HN 0.044 nan 8.180 nan 0.000 0.551 1256 L N 0.280 121.612 121.223 0.181 0.000 2.769 1256 L HA 0.348 4.688 4.340 -0.000 0.000 0.240 1256 L C 2.333 179.201 176.870 -0.003 0.000 1.163 1256 L CA 0.027 54.913 54.840 0.076 0.000 0.962 1256 L CB -0.869 41.206 42.059 0.027 0.000 1.258 1256 L HN 0.055 nan 8.230 nan 0.000 0.513 1257 G N 2.319 111.104 108.800 -0.026 0.000 2.681 1257 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.220 1257 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.220 1257 G C -0.565 174.287 174.900 -0.079 0.000 1.210 1257 G CA 1.091 46.144 45.100 -0.079 0.000 0.783 1257 G HN 0.313 nan 8.290 nan 0.000 0.609 1258 P HA -0.043 nan 4.420 nan 0.000 0.218 1258 P C 1.621 178.903 177.300 -0.031 0.000 1.146 1258 P CA 1.143 64.224 63.100 -0.033 0.000 0.813 1258 P CB -0.156 31.538 31.700 -0.010 0.000 0.778 1259 I N -5.684 114.866 120.570 -0.032 0.000 3.914 1259 I HA 0.194 4.364 4.170 -0.000 0.000 0.333 1259 I C -0.042 176.040 176.117 -0.059 0.000 1.449 1259 I CA -0.302 60.988 61.300 -0.017 0.000 1.135 1259 I CB -0.403 37.602 38.000 0.009 0.000 1.073 1259 I HN -0.288 nan 8.210 nan 0.000 0.401 1260 L N 2.252 123.384 121.223 -0.151 0.000 2.361 1260 L HA 0.339 4.679 4.340 -0.000 0.000 0.278 1260 L C 1.324 178.020 176.870 -0.290 0.000 1.113 1260 L CA -0.128 54.513 54.840 -0.332 0.000 0.849 1260 L CB 1.009 42.701 42.059 -0.611 0.000 1.155 1260 L HN 0.359 nan 8.230 nan 0.000 0.452 1261 G N 3.359 112.016 108.800 -0.237 0.000 3.383 1261 G HA2 0.167 4.127 3.960 -0.000 0.000 0.251 1261 G HA3 0.167 4.127 3.960 -0.000 0.000 0.251 1261 G C -0.145 174.705 174.900 -0.084 0.000 1.203 1261 G CA 0.096 45.086 45.100 -0.184 0.000 0.852 1261 G HN 0.659 nan 8.290 nan 0.000 0.531 1262 Y N -2.848 117.378 120.300 -0.123 0.000 2.625 1262 Y HA 0.612 5.162 4.550 -0.000 0.000 0.338 1262 Y C -1.317 174.558 175.900 -0.040 0.000 1.123 1262 Y CA -2.135 55.919 58.100 -0.076 0.000 1.046 1262 Y CB 0.791 39.188 38.460 -0.105 0.000 1.299 1262 Y HN -0.189 nan 8.280 nan 0.000 0.464 1263 D N 1.968 122.436 120.400 0.114 0.000 2.264 1263 D HA 0.224 4.864 4.640 -0.000 0.000 0.250 1263 D C 0.347 176.716 176.300 0.115 0.000 1.113 1263 D CA 0.080 54.101 54.000 0.034 0.000 0.871 1263 D CB 1.795 42.622 40.800 0.045 0.000 1.167 1263 D HN 0.819 nan 8.370 nan 0.000 0.447 1264 T N 0.000 114.560 114.554 0.010 0.000 3.816 1264 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1264 T CA 0.000 62.134 62.100 0.057 0.000 1.349 1264 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 1264 T HN 0.000 nan 8.240 nan 0.000 0.658