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 2bz4_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSQGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.612 32.600 0.019 0.000 1.302 2 K N 3.005 123.411 120.400 0.010 0.000 2.414 2 K HA 0.315 4.634 4.320 -0.000 0.000 0.272 2 K C -0.681 175.921 176.600 0.004 0.000 0.993 2 K CA 0.279 56.569 56.287 0.006 0.000 0.964 2 K CB 0.486 32.987 32.500 0.002 0.000 0.925 2 K HN 0.475 nan 8.250 nan 0.000 0.487 3 R N 0.899 121.399 120.500 -0.000 0.000 2.474 3 R HA 0.645 4.985 4.340 -0.000 0.000 0.295 3 R C -0.753 175.538 176.300 -0.014 0.000 0.980 3 R CA -0.847 55.251 56.100 -0.003 0.000 0.934 3 R CB 1.791 32.089 30.300 -0.003 0.000 1.101 3 R HN 0.647 nan 8.270 nan 0.000 0.469 4 A N 2.259 125.067 122.820 -0.020 0.000 2.331 4 A HA 0.641 4.961 4.320 -0.000 0.000 0.320 4 A C -0.415 177.145 177.584 -0.040 0.000 1.138 4 A CA -0.674 51.339 52.037 -0.039 0.000 0.790 4 A CB 1.145 20.114 19.000 -0.051 0.000 1.206 4 A HN 0.534 nan 8.150 nan 0.000 0.470 5 V N -0.047 119.838 119.914 -0.048 0.000 3.074 5 V HA 0.731 4.851 4.120 -0.000 0.000 0.314 5 V C -0.697 175.366 176.094 -0.052 0.000 1.117 5 V CA -1.091 61.184 62.300 -0.043 0.000 1.014 5 V CB 1.787 33.588 31.823 -0.038 0.000 1.057 5 V HN 0.622 nan 8.190 nan 0.000 0.438 6 I N 2.803 123.356 120.570 -0.027 0.000 2.321 6 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 6 I C 1.106 177.269 176.117 0.077 0.000 0.998 6 I CA 0.195 61.487 61.300 -0.013 0.000 1.227 6 I CB 1.162 39.142 38.000 -0.035 0.000 1.368 6 I HN 1.047 nan 8.210 nan 0.000 0.466 7 T N 1.112 115.701 114.554 0.059 0.000 3.040 7 T HA 0.485 4.834 4.350 -0.000 0.000 0.266 7 T C 0.533 175.361 174.700 0.213 0.000 1.005 7 T CA -0.271 61.884 62.100 0.092 0.000 0.906 7 T CB 0.511 69.385 68.868 0.011 0.000 1.082 7 T HN 0.766 nan 8.240 nan 0.000 0.531 8 G N 1.359 110.288 108.800 0.215 0.000 2.616 8 G HA2 0.552 4.512 3.960 -0.000 0.000 0.294 8 G HA3 0.552 4.512 3.960 -0.000 0.000 0.294 8 G C -2.081 172.835 174.900 0.027 0.000 1.489 8 G CA -0.921 44.309 45.100 0.217 0.000 0.836 8 G HN 0.658 nan 8.290 nan 0.000 0.527 9 L N -1.164 120.058 121.223 -0.002 0.000 2.469 9 L HA 1.063 5.402 4.340 -0.000 0.000 0.256 9 L C -0.027 176.811 176.870 -0.054 0.000 1.006 9 L CA -0.841 53.934 54.840 -0.109 0.000 0.832 9 L CB 1.823 43.712 42.059 -0.283 0.000 1.421 9 L HN 1.290 nan 8.230 nan 0.000 0.410 10 G N 0.648 109.404 108.800 -0.073 0.000 2.696 10 G HA2 0.790 4.749 3.960 -0.000 0.000 0.295 10 G HA3 0.790 4.749 3.960 -0.000 0.000 0.295 10 G C -2.061 172.805 174.900 -0.057 0.000 1.398 10 G CA -0.660 44.409 45.100 -0.051 0.000 0.920 10 G HN 1.060 nan 8.290 nan 0.000 0.492 11 I N 0.278 120.828 120.570 -0.033 0.000 2.785 11 I HA 0.565 4.735 4.170 -0.000 0.000 0.293 11 I C -1.631 174.475 176.117 -0.017 0.000 1.446 11 I CA -0.880 60.398 61.300 -0.036 0.000 1.028 11 I CB 2.263 40.235 38.000 -0.047 0.000 1.349 11 I HN 0.383 nan 8.210 nan 0.000 0.438 12 V N 6.317 126.208 119.914 -0.038 0.000 2.398 12 V HA 0.569 4.689 4.120 -0.000 0.000 0.282 12 V C -0.274 175.735 176.094 -0.142 0.000 1.014 12 V CA -0.173 62.082 62.300 -0.075 0.000 0.838 12 V CB 1.304 33.087 31.823 -0.066 0.000 1.018 12 V HN 0.812 nan 8.190 nan 0.000 0.432 13 S N 2.395 118.040 115.700 -0.091 0.000 2.704 13 S HA 0.463 4.933 4.470 -0.000 0.000 0.296 13 S C 1.182 175.732 174.600 -0.082 0.000 1.138 13 S CA 0.111 58.266 58.200 -0.076 0.000 0.875 13 S CB 1.844 65.087 63.200 0.071 0.000 1.151 13 S HN 0.898 nan 8.310 nan 0.000 0.500 14 S N 0.417 116.076 115.700 -0.068 0.000 2.469 14 S HA -0.088 4.382 4.470 -0.000 0.000 0.238 14 S C 1.447 176.028 174.600 -0.032 0.000 0.998 14 S CA 1.092 59.253 58.200 -0.064 0.000 0.957 14 S CB -1.157 62.017 63.200 -0.042 0.000 0.764 14 S HN 1.018 nan 8.310 nan 0.000 0.514 15 I N -2.587 117.972 120.570 -0.017 0.000 3.941 15 I HA 0.658 4.828 4.170 -0.000 0.000 0.335 15 I C 0.572 176.680 176.117 -0.016 0.000 1.402 15 I CA -0.409 60.874 61.300 -0.028 0.000 1.112 15 I CB 0.220 38.177 38.000 -0.072 0.000 1.043 15 I HN 0.280 nan 8.210 nan 0.000 0.395 16 G N 1.036 109.832 108.800 -0.006 0.000 2.405 16 G HA2 0.068 4.028 3.960 -0.000 0.000 0.303 16 G HA3 0.068 4.028 3.960 -0.000 0.000 0.303 16 G C -0.794 174.104 174.900 -0.003 0.000 1.644 16 G CA -0.614 44.486 45.100 -0.000 0.000 0.899 16 G HN -0.018 nan 8.290 nan 0.000 0.667 17 N N 0.038 118.736 118.700 -0.003 0.000 2.336 17 N HA 0.089 4.829 4.740 -0.000 0.000 0.189 17 N C 0.397 175.914 175.510 0.011 0.000 1.113 17 N CA 0.729 53.778 53.050 -0.002 0.000 0.858 17 N CB 0.262 38.752 38.487 0.004 0.000 0.970 17 N HN 0.808 nan 8.380 nan 0.000 0.471 18 N N -1.674 117.036 118.700 0.016 0.000 3.116 18 N HA 0.003 4.743 4.740 -0.000 0.000 0.244 18 N C 0.327 175.856 175.510 0.032 0.000 1.485 18 N CA -0.693 52.371 53.050 0.023 0.000 0.884 18 N CB 0.478 38.980 38.487 0.024 0.000 1.415 18 N HN -0.152 nan 8.380 nan 0.000 0.524 19 Q N -1.224 118.600 119.800 0.041 0.000 2.224 19 Q HA -0.112 4.228 4.340 -0.000 0.000 0.203 19 Q C 0.675 176.698 176.000 0.039 0.000 0.970 19 Q CA 1.443 57.281 55.803 0.058 0.000 0.865 19 Q CB -0.260 28.527 28.738 0.082 0.000 0.922 19 Q HN 0.594 nan 8.270 nan 0.000 0.445 20 Q N 1.343 121.157 119.800 0.022 0.000 2.046 20 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 20 Q C 1.749 177.734 176.000 -0.024 0.000 0.975 20 Q CA 1.962 57.759 55.803 -0.009 0.000 0.836 20 Q CB 0.013 28.749 28.738 -0.003 0.000 0.896 20 Q HN 0.582 nan 8.270 nan 0.000 0.428 21 E N -0.441 119.754 120.200 -0.008 0.000 2.106 21 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 21 E C 1.979 178.570 176.600 -0.015 0.000 0.984 21 E CA 1.104 57.495 56.400 -0.015 0.000 0.806 21 E CB 0.026 29.722 29.700 -0.006 0.000 0.750 21 E HN 0.099 nan 8.360 nan 0.000 0.458 22 V N 1.543 121.465 119.914 0.013 0.000 2.343 22 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 22 V C 2.306 178.407 176.094 0.012 0.000 1.051 22 V CA 1.364 63.685 62.300 0.035 0.000 1.036 22 V CB -0.357 31.544 31.823 0.129 0.000 0.654 22 V HN 0.231 nan 8.190 nan 0.000 0.451 23 L N 0.994 122.219 121.223 0.004 0.000 2.012 23 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 23 L C 2.436 179.226 176.870 -0.133 0.000 1.073 23 L CA 2.509 57.322 54.840 -0.045 0.000 0.748 23 L CB -1.011 40.955 42.059 -0.155 0.000 0.891 23 L HN 0.229 nan 8.230 nan 0.000 0.431 24 A N -1.544 121.203 122.820 -0.122 0.000 1.902 24 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 24 A C 2.391 179.908 177.584 -0.113 0.000 1.181 24 A CA 2.011 53.969 52.037 -0.132 0.000 0.623 24 A CB -0.980 17.963 19.000 -0.094 0.000 0.818 24 A HN 0.541 nan 8.150 nan 0.000 0.443 25 S N -0.138 115.513 115.700 -0.082 0.000 2.368 25 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 25 S C 1.829 176.379 174.600 -0.083 0.000 1.030 25 S CA 1.379 59.533 58.200 -0.076 0.000 0.999 25 S CB -0.454 62.703 63.200 -0.071 0.000 0.844 25 S HN 0.508 nan 8.310 nan 0.000 0.459 26 L N 0.828 122.008 121.223 -0.072 0.000 2.046 26 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 26 L C 2.693 179.570 176.870 0.011 0.000 1.077 26 L CA 1.322 56.158 54.840 -0.006 0.000 0.747 26 L CB -0.419 41.729 42.059 0.148 0.000 0.896 26 L HN 0.222 nan 8.230 nan 0.000 0.432 27 R N -0.080 120.324 120.500 -0.160 0.000 2.115 27 R HA -0.118 4.222 4.340 -0.000 0.000 0.230 27 R C 1.917 178.133 176.300 -0.140 0.000 1.111 27 R CA 1.072 57.005 56.100 -0.278 0.000 0.976 27 R CB -0.057 29.954 30.300 -0.481 0.000 0.870 27 R HN 0.473 nan 8.270 nan 0.000 0.445 28 E N -0.720 119.415 120.200 -0.108 0.000 2.442 28 E HA 0.071 4.420 4.350 -0.000 0.000 0.195 28 E C 0.669 177.240 176.600 -0.047 0.000 1.030 28 E CA 0.350 56.706 56.400 -0.073 0.000 0.869 28 E CB 0.554 30.213 29.700 -0.068 0.000 0.857 28 E HN 0.439 nan 8.360 nan 0.000 0.505 29 G N 2.780 111.554 108.800 -0.043 0.000 2.221 29 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.265 29 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.265 29 G C 0.045 174.924 174.900 -0.035 0.000 1.041 29 G CA 0.361 45.442 45.100 -0.031 0.000 0.807 29 G HN 0.197 nan 8.290 nan 0.000 0.502 30 R N 0.337 120.811 120.500 -0.043 0.000 2.389 30 R HA 0.472 4.812 4.340 -0.000 0.000 0.295 30 R C 0.778 177.058 176.300 -0.033 0.000 1.075 30 R CA 0.314 56.393 56.100 -0.034 0.000 1.005 30 R CB 0.525 30.803 30.300 -0.036 0.000 0.987 30 R HN 0.273 nan 8.270 nan 0.000 0.452 31 S N 1.837 117.528 115.700 -0.015 0.000 2.565 31 S HA 0.267 4.737 4.470 -0.000 0.000 0.274 31 S C 0.853 175.457 174.600 0.007 0.000 1.309 31 S CA -0.252 57.945 58.200 -0.005 0.000 1.043 31 S CB 1.309 64.516 63.200 0.011 0.000 0.939 31 S HN 0.781 nan 8.310 nan 0.000 0.504 32 G N 3.773 112.580 108.800 0.011 0.000 3.393 32 G HA2 0.241 4.201 3.960 -0.000 0.000 0.255 32 G HA3 0.241 4.201 3.960 -0.000 0.000 0.255 32 G C 0.077 175.013 174.900 0.060 0.000 1.097 32 G CA -0.257 44.855 45.100 0.021 0.000 0.780 32 G HN 0.607 nan 8.290 nan 0.000 0.540 33 I N 2.641 123.261 120.570 0.084 0.000 2.395 33 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 33 I C 0.639 176.863 176.117 0.178 0.000 1.023 33 I CA -0.297 61.089 61.300 0.144 0.000 1.350 33 I CB 0.504 38.582 38.000 0.130 0.000 1.409 33 I HN 0.082 nan 8.210 nan 0.000 0.507 34 T N 2.641 117.358 114.554 0.272 0.000 2.865 34 T HA 0.538 4.888 4.350 -0.000 0.000 0.294 34 T C -0.524 174.336 174.700 0.267 0.000 1.119 34 T CA -0.734 61.531 62.100 0.275 0.000 1.007 34 T CB 1.781 70.823 68.868 0.291 0.000 1.225 34 T HN 0.202 nan 8.240 nan 0.000 0.515 35 F N 1.698 121.701 119.950 0.089 0.000 2.443 35 F HA 0.567 5.093 4.527 -0.000 0.000 0.353 35 F C 0.430 176.145 175.800 -0.141 0.000 1.101 35 F CA -0.231 57.763 58.000 -0.009 0.000 1.226 35 F CB 0.925 39.927 39.000 0.004 0.000 1.140 35 F HN 0.681 nan 8.300 nan 0.000 0.557 36 S N 4.909 119.800 115.700 -1.348 0.000 2.566 36 S HA 0.197 4.667 4.470 -0.000 0.000 0.324 36 S C 0.521 174.260 174.600 -1.435 0.000 1.081 36 S CA -0.658 56.668 58.200 -1.456 0.000 1.105 36 S CB 1.297 63.164 63.200 -2.222 0.000 0.981 36 S HN 0.878 nan 8.310 nan 0.000 0.464 37 Q N 3.387 122.656 119.800 -0.884 0.000 2.167 37 Q HA -0.054 4.285 4.340 -0.000 0.000 0.202 37 Q C 1.742 177.492 176.000 -0.417 0.000 0.970 37 Q CA 2.051 57.566 55.803 -0.480 0.000 0.855 37 Q CB -0.106 28.575 28.738 -0.096 0.000 0.911 37 Q HN 0.905 nan 8.270 nan 0.000 0.438 38 E N -0.473 119.472 120.200 -0.424 0.000 2.051 38 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 38 E C 1.803 178.213 176.600 -0.315 0.000 0.991 38 E CA 1.196 57.437 56.400 -0.265 0.000 0.799 38 E CB -0.158 29.495 29.700 -0.078 0.000 0.748 38 E HN 0.447 nan 8.360 nan 0.000 0.449 39 L N 0.666 121.602 121.223 -0.478 0.000 2.083 39 L HA -0.178 4.161 4.340 -0.000 0.000 0.209 39 L C 2.825 179.510 176.870 -0.309 0.000 1.083 39 L CA 1.369 56.031 54.840 -0.298 0.000 0.752 39 L CB -0.429 41.429 42.059 -0.334 0.000 0.899 39 L HN 0.147 nan 8.230 nan 0.000 0.433 40 K N 0.240 120.322 120.400 -0.530 0.000 2.025 40 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 40 K C 1.630 178.000 176.600 -0.385 0.000 1.049 40 K CA 1.687 57.560 56.287 -0.690 0.000 0.933 40 K CB 0.036 32.049 32.500 -0.811 0.000 0.714 40 K HN 0.184 nan 8.250 nan 0.000 0.438 41 D N 0.205 120.412 120.400 -0.322 0.000 2.263 41 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 41 D C 1.843 177.953 176.300 -0.316 0.000 0.971 41 D CA 1.366 55.209 54.000 -0.262 0.000 0.867 41 D CB -0.075 40.591 40.800 -0.224 0.000 0.929 41 D HN 0.349 nan 8.370 nan 0.000 0.492 42 S N -0.913 114.559 115.700 -0.380 0.000 2.489 42 S HA 0.135 4.605 4.470 -0.000 0.000 0.228 42 S C 1.790 176.210 174.600 -0.301 0.000 0.995 42 S CA 0.994 58.883 58.200 -0.519 0.000 0.934 42 S CB 0.246 63.131 63.200 -0.525 0.000 0.771 42 S HN 0.312 nan 8.310 nan 0.000 0.522 43 G N 0.517 109.208 108.800 -0.182 0.000 2.179 43 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 43 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 43 G C 0.027 174.926 174.900 -0.002 0.000 0.990 43 G CA 0.059 45.107 45.100 -0.086 0.000 0.646 43 G HN 0.481 nan 8.290 nan 0.000 0.517 44 M N -0.282 119.332 119.600 0.024 0.000 2.198 44 M HA 0.388 4.868 4.480 -0.000 0.000 0.315 44 M C 1.869 178.267 176.300 0.164 0.000 1.134 44 M CA 0.089 55.443 55.300 0.090 0.000 1.171 44 M CB 0.497 33.159 32.600 0.105 0.000 1.413 44 M HN 0.162 nan 8.290 nan 0.000 0.467 45 R N -0.304 120.236 120.500 0.066 0.000 2.173 45 R HA 0.090 4.430 4.340 -0.000 0.000 0.208 45 R C 0.475 176.642 176.300 -0.222 0.000 1.035 45 R CA 0.258 56.327 56.100 -0.051 0.000 1.004 45 R CB 0.195 30.464 30.300 -0.051 0.000 0.917 45 R HN 0.555 nan 8.270 nan 0.000 0.462 46 S N 0.380 116.044 115.700 -0.060 0.000 2.465 46 S HA 0.123 4.593 4.470 -0.000 0.000 0.279 46 S C -0.063 174.581 174.600 0.074 0.000 1.201 46 S CA -0.538 57.624 58.200 -0.062 0.000 1.053 46 S CB 0.342 63.529 63.200 -0.022 0.000 0.953 46 S HN 0.336 nan 8.310 nan 0.000 0.488 47 H N 2.811 121.843 119.070 -0.064 0.000 2.512 47 H HA 0.330 4.886 4.556 -0.000 0.000 0.276 47 H C -0.025 175.131 175.328 -0.287 0.000 1.126 47 H CA -0.580 55.347 56.048 -0.202 0.000 1.060 47 H CB 0.561 30.298 29.762 -0.041 0.000 1.646 47 H HN 0.453 nan 8.280 nan 0.000 0.571 48 V N -1.764 118.129 119.914 -0.035 0.000 2.914 48 V HA 0.634 4.753 4.120 -0.000 0.000 0.314 48 V C -1.367 174.815 176.094 0.148 0.000 1.084 48 V CA -0.940 61.367 62.300 0.012 0.000 0.963 48 V CB 2.223 34.126 31.823 0.133 0.000 1.025 48 V HN 0.382 nan 8.190 nan 0.000 0.432 49 W N 1.037 122.362 121.300 0.042 0.000 3.066 49 W HA 0.814 5.474 4.660 -0.000 0.000 0.330 49 W C -0.290 176.260 176.519 0.051 0.000 1.253 49 W CA -1.719 55.656 57.345 0.049 0.000 1.187 49 W CB 0.843 30.327 29.460 0.039 0.000 1.434 49 W HN 1.036 nan 8.180 nan 0.000 0.572 50 G N 2.061 110.978 108.800 0.194 0.000 2.857 50 G HA2 0.375 4.335 3.960 -0.000 0.000 0.326 50 G HA3 0.375 4.335 3.960 -0.000 0.000 0.326 50 G C -0.371 174.409 174.900 -0.199 0.000 0.950 50 G CA -0.795 44.324 45.100 0.032 0.000 1.400 50 G HN 0.605 nan 8.290 nan 0.000 0.473 51 N N 0.074 118.565 118.700 -0.347 0.000 2.513 51 N HA 0.385 5.125 4.740 -0.000 0.000 0.274 51 N C -0.315 175.022 175.510 -0.287 0.000 1.189 51 N CA -0.893 51.834 53.050 -0.537 0.000 0.975 51 N CB 1.908 39.997 38.487 -0.662 0.000 1.157 51 N HN -0.014 nan 8.380 nan 0.000 0.465 52 V N 1.197 120.922 119.914 -0.314 0.000 2.455 52 V HA 0.051 4.171 4.120 -0.000 0.000 0.273 52 V C 0.300 176.315 176.094 -0.132 0.000 1.045 52 V CA -0.144 61.998 62.300 -0.263 0.000 0.976 52 V CB 0.592 32.143 31.823 -0.453 0.000 0.993 52 V HN 0.693 nan 8.190 nan 0.000 0.475 53 K N 5.034 125.385 120.400 -0.080 0.000 2.535 53 K HA 0.522 4.842 4.320 -0.000 0.000 0.242 53 K C -0.925 175.670 176.600 -0.008 0.000 1.210 53 K CA 0.026 56.298 56.287 -0.024 0.000 1.178 53 K CB 0.112 32.608 32.500 -0.007 0.000 1.778 53 K HN 0.509 nan 8.250 nan 0.000 0.372 54 L N 0.255 121.480 121.223 0.004 0.000 2.543 54 L HA 0.390 4.730 4.340 -0.000 0.000 0.265 54 L C -1.700 175.201 176.870 0.051 0.000 0.945 54 L CA -0.620 54.236 54.840 0.027 0.000 0.869 54 L CB 2.044 44.119 42.059 0.027 0.000 1.294 54 L HN 0.118 nan 8.230 nan 0.000 0.405 55 D N 2.052 122.480 120.400 0.046 0.000 2.352 55 D HA 0.230 4.870 4.640 -0.000 0.000 0.245 55 D C 1.065 177.396 176.300 0.051 0.000 1.224 55 D CA 0.556 54.584 54.000 0.047 0.000 0.879 55 D CB 1.294 42.115 40.800 0.035 0.000 1.057 55 D HN 0.697 nan 8.370 nan 0.000 0.491 56 T N 0.058 114.649 114.554 0.061 0.000 3.148 56 T HA 0.007 4.357 4.350 -0.000 0.000 0.253 56 T C 0.851 175.563 174.700 0.020 0.000 1.134 56 T CA -0.222 61.912 62.100 0.057 0.000 1.051 56 T CB -0.445 68.466 68.868 0.071 0.000 0.959 56 T HN 0.273 nan 8.240 nan 0.000 0.525 57 T N 2.501 117.062 114.554 0.012 0.000 2.866 57 T HA 0.381 4.731 4.350 -0.000 0.000 0.293 57 T C 1.512 176.207 174.700 -0.008 0.000 1.005 57 T CA 0.946 63.041 62.100 -0.007 0.000 1.162 57 T CB -0.072 68.794 68.868 -0.002 0.000 0.968 57 T HN 0.765 nan 8.240 nan 0.000 0.530 58 G N 2.731 111.516 108.800 -0.026 0.000 2.166 58 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 58 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 58 G C 0.756 175.648 174.900 -0.012 0.000 0.986 58 G CA 0.374 45.459 45.100 -0.024 0.000 0.683 58 G HN 0.713 nan 8.290 nan 0.000 0.527 59 L N -0.662 120.559 121.223 -0.004 0.000 2.529 59 L HA 0.431 4.771 4.340 -0.000 0.000 0.223 59 L C 1.101 177.986 176.870 0.025 0.000 1.113 59 L CA 0.457 55.315 54.840 0.030 0.000 0.861 59 L CB 0.083 42.179 42.059 0.063 0.000 1.012 59 L HN 0.269 nan 8.230 nan 0.000 0.461 60 I N -0.963 119.568 120.570 -0.064 0.000 2.647 60 I HA 0.167 4.337 4.170 -0.000 0.000 0.295 60 I C -0.226 175.787 176.117 -0.173 0.000 1.078 60 I CA -0.869 60.326 61.300 -0.176 0.000 1.048 60 I CB 2.326 40.081 38.000 -0.407 0.000 1.239 60 I HN -0.118 nan 8.210 nan 0.000 0.421 61 D N 5.395 125.696 120.400 -0.165 0.000 2.571 61 D HA -0.068 4.572 4.640 -0.000 0.000 0.231 61 D C 1.357 177.563 176.300 -0.156 0.000 1.133 61 D CA 0.299 54.223 54.000 -0.126 0.000 0.862 61 D CB 1.137 41.875 40.800 -0.103 0.000 1.179 61 D HN 0.648 nan 8.370 nan 0.000 0.474 62 R N 3.723 124.147 120.500 -0.127 0.000 2.091 62 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 62 R C 1.524 177.714 176.300 -0.183 0.000 1.136 62 R CA 1.116 57.124 56.100 -0.154 0.000 0.959 62 R CB -0.316 29.911 30.300 -0.123 0.000 0.856 62 R HN 0.367 nan 8.270 nan 0.000 0.437 63 K N 0.707 121.035 120.400 -0.121 0.000 2.439 63 K HA 0.042 4.362 4.320 -0.000 0.000 0.197 63 K C 1.752 178.352 176.600 0.001 0.000 1.041 63 K CA 0.634 56.874 56.287 -0.078 0.000 0.970 63 K CB 0.362 32.864 32.500 0.003 0.000 0.773 63 K HN 0.060 nan 8.250 nan 0.000 0.479 64 V N -0.204 119.668 119.914 -0.070 0.000 2.581 64 V HA -0.092 4.028 4.120 -0.000 0.000 0.240 64 V C 1.846 177.867 176.094 -0.121 0.000 1.054 64 V CA 0.768 63.040 62.300 -0.047 0.000 1.076 64 V CB 0.358 32.062 31.823 -0.199 0.000 0.748 64 V HN 0.065 nan 8.190 nan 0.000 0.474 65 V N 2.449 122.208 119.914 -0.259 0.000 2.759 65 V HA -0.208 3.912 4.120 -0.000 0.000 0.256 65 V C 2.762 178.660 176.094 -0.326 0.000 1.080 65 V CA 2.172 64.296 62.300 -0.293 0.000 1.101 65 V CB -0.669 30.981 31.823 -0.288 0.000 0.698 65 V HN 0.711 nan 8.190 nan 0.000 0.477 66 R N -0.796 119.438 120.500 -0.444 0.000 2.159 66 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 66 R C 1.744 177.564 176.300 -0.800 0.000 1.131 66 R CA 2.163 57.809 56.100 -0.757 0.000 0.982 66 R CB -0.726 28.901 30.300 -1.122 0.000 0.868 66 R HN 0.523 nan 8.270 nan 0.000 0.453 67 F N 0.817 120.601 119.950 -0.276 0.000 2.727 67 F HA 0.355 4.882 4.527 -0.000 0.000 0.302 67 F C 0.803 176.471 175.800 -0.219 0.000 1.097 67 F CA -0.374 57.529 58.000 -0.161 0.000 1.330 67 F CB 0.188 39.151 39.000 -0.061 0.000 1.084 67 F HN -0.131 nan 8.300 nan 0.000 0.578 68 M N 0.102 119.612 119.600 -0.150 0.000 2.367 68 M HA 0.334 4.814 4.480 -0.000 0.000 0.339 68 M C 0.428 176.533 176.300 -0.326 0.000 1.177 68 M CA -0.606 54.577 55.300 -0.194 0.000 1.068 68 M CB 1.600 34.091 32.600 -0.181 0.000 1.602 68 M HN 0.012 nan 8.290 nan 0.000 0.457 69 S N -0.230 115.316 115.700 -0.257 0.000 2.758 69 S HA 0.340 4.810 4.470 -0.000 0.000 0.292 69 S C 0.321 174.823 174.600 -0.163 0.000 1.131 69 S CA -0.815 57.262 58.200 -0.205 0.000 0.997 69 S CB 1.067 64.229 63.200 -0.063 0.000 1.111 69 S HN 0.666 nan 8.310 nan 0.000 0.552 70 D N 1.014 121.327 120.400 -0.144 0.000 2.149 70 D HA -0.042 4.598 4.640 -0.000 0.000 0.198 70 D C 2.164 178.123 176.300 -0.569 0.000 0.990 70 D CA 1.724 55.457 54.000 -0.445 0.000 0.839 70 D CB -0.848 39.707 40.800 -0.409 0.000 0.948 70 D HN 0.673 nan 8.370 nan 0.000 0.460 71 A N 0.438 123.135 122.820 -0.204 0.000 1.908 71 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 71 A C 2.447 180.017 177.584 -0.023 0.000 1.181 71 A CA 1.947 53.960 52.037 -0.040 0.000 0.627 71 A CB -0.545 18.477 19.000 0.036 0.000 0.818 71 A HN 0.179 nan 8.150 nan 0.000 0.445 72 S N -0.462 115.208 115.700 -0.051 0.000 2.406 72 S HA -0.011 4.459 4.470 -0.000 0.000 0.228 72 S C 1.773 176.390 174.600 0.028 0.000 1.020 72 S CA 1.115 59.321 58.200 0.011 0.000 0.965 72 S CB -0.406 62.789 63.200 -0.008 0.000 0.798 72 S HN 0.536 nan 8.310 nan 0.000 0.488 73 I N 0.446 120.949 120.570 -0.113 0.000 2.179 73 I HA -0.201 3.969 4.170 -0.000 0.000 0.242 73 I C 1.966 178.139 176.117 0.093 0.000 1.088 73 I CA 1.320 62.567 61.300 -0.088 0.000 1.357 73 I CB -0.385 37.464 38.000 -0.251 0.000 1.051 73 I HN 0.274 nan 8.210 nan 0.000 0.409 74 Y N 0.773 121.116 120.300 0.073 0.000 2.242 74 Y HA -0.134 4.416 4.550 -0.000 0.000 0.291 74 Y C 2.639 178.582 175.900 0.072 0.000 1.137 74 Y CA 0.681 58.818 58.100 0.061 0.000 1.181 74 Y CB -1.312 37.163 38.460 0.024 0.000 0.989 74 Y HN 0.114 nan 8.280 nan 0.000 0.527 75 A N -0.522 122.435 122.820 0.229 0.000 1.929 75 A HA -0.158 4.161 4.320 -0.000 0.000 0.216 75 A C 2.174 179.847 177.584 0.148 0.000 1.176 75 A CA 1.123 53.247 52.037 0.144 0.000 0.628 75 A CB -1.269 17.798 19.000 0.112 0.000 0.816 75 A HN 0.432 nan 8.150 nan 0.000 0.444 76 F N 0.702 120.701 119.950 0.082 0.000 2.075 76 F HA -0.143 4.384 4.527 -0.000 0.000 0.297 76 F C 1.917 177.799 175.800 0.136 0.000 1.113 76 F CA 1.818 59.904 58.000 0.144 0.000 1.218 76 F CB -0.203 38.868 39.000 0.118 0.000 0.984 76 F HN 0.134 nan 8.300 nan 0.000 0.472 77 L N -0.640 120.788 121.223 0.342 0.000 2.083 77 L HA -0.234 4.105 4.340 -0.000 0.000 0.209 77 L C 2.494 179.391 176.870 0.046 0.000 1.083 77 L CA 1.393 56.357 54.840 0.207 0.000 0.752 77 L CB -0.923 41.274 42.059 0.229 0.000 0.899 77 L HN 0.101 nan 8.230 nan 0.000 0.433 78 S N -0.466 115.255 115.700 0.034 0.000 2.383 78 S HA -0.189 4.281 4.470 -0.000 0.000 0.227 78 S C 1.918 176.440 174.600 -0.129 0.000 1.026 78 S CA 1.414 59.595 58.200 -0.031 0.000 0.981 78 S CB -0.174 63.016 63.200 -0.016 0.000 0.818 78 S HN 0.358 nan 8.310 nan 0.000 0.472 79 M N 1.299 120.758 119.600 -0.235 0.000 2.200 79 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 79 M C 1.936 177.913 176.300 -0.539 0.000 1.066 79 M CA 1.340 56.346 55.300 -0.490 0.000 1.127 79 M CB -0.082 32.029 32.600 -0.815 0.000 1.379 79 M HN 0.225 nan 8.290 nan 0.000 0.420 80 E N -0.164 119.812 120.200 -0.373 0.000 2.077 80 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 80 E C 2.036 178.562 176.600 -0.124 0.000 0.989 80 E CA 1.552 57.831 56.400 -0.201 0.000 0.800 80 E CB -0.125 29.532 29.700 -0.071 0.000 0.746 80 E HN 0.665 nan 8.360 nan 0.000 0.452 81 Q N 0.000 119.747 119.800 -0.089 0.000 2.084 81 Q HA -0.159 4.180 4.340 -0.000 0.000 0.202 81 Q C 2.201 178.176 176.000 -0.041 0.000 0.978 81 Q CA 1.369 57.150 55.803 -0.038 0.000 0.844 81 Q CB -0.154 28.573 28.738 -0.019 0.000 0.898 81 Q HN 0.221 nan 8.270 nan 0.000 0.426 82 A N 0.742 123.512 122.820 -0.084 0.000 1.930 82 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 82 A C 2.015 179.584 177.584 -0.025 0.000 1.175 82 A CA 1.048 53.058 52.037 -0.045 0.000 0.627 82 A CB -0.566 18.402 19.000 -0.052 0.000 0.815 82 A HN 0.299 nan 8.150 nan 0.000 0.443 83 I N -0.338 120.160 120.570 -0.120 0.000 2.179 83 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 83 I C 2.974 179.083 176.117 -0.013 0.000 1.088 83 I CA 1.120 62.350 61.300 -0.116 0.000 1.357 83 I CB -0.291 37.521 38.000 -0.313 0.000 1.051 83 I HN 0.363 nan 8.210 nan 0.000 0.409 84 A N 0.135 122.952 122.820 -0.005 0.000 1.898 84 A HA -0.282 4.038 4.320 -0.000 0.000 0.216 84 A C 1.987 179.599 177.584 0.048 0.000 1.181 84 A CA 2.204 54.261 52.037 0.033 0.000 0.620 84 A CB -0.668 18.350 19.000 0.030 0.000 0.819 84 A HN 0.439 nan 8.150 nan 0.000 0.442 85 D N -0.165 120.269 120.400 0.057 0.000 2.144 85 D HA -0.004 4.635 4.640 -0.000 0.000 0.199 85 D C 1.873 178.248 176.300 0.124 0.000 0.984 85 D CA 1.438 55.499 54.000 0.102 0.000 0.834 85 D CB -0.160 40.724 40.800 0.140 0.000 0.955 85 D HN 0.331 nan 8.370 nan 0.000 0.465 86 A N -0.687 122.195 122.820 0.103 0.000 2.119 86 A HA 0.356 4.676 4.320 -0.000 0.000 0.216 86 A C 1.860 179.492 177.584 0.081 0.000 1.152 86 A CA 1.152 53.248 52.037 0.099 0.000 0.708 86 A CB -0.589 18.449 19.000 0.063 0.000 0.805 86 A HN 0.491 nan 8.150 nan 0.000 0.460 87 G N -1.043 107.801 108.800 0.073 0.000 2.198 87 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.257 87 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.257 87 G C -0.055 174.900 174.900 0.092 0.000 1.042 87 G CA 0.326 45.469 45.100 0.070 0.000 0.791 87 G HN 0.452 nan 8.290 nan 0.000 0.502 88 L N 1.327 122.619 121.223 0.116 0.000 2.326 88 L HA 0.590 4.930 4.340 -0.000 0.000 0.278 88 L C 1.112 178.141 176.870 0.264 0.000 1.092 88 L CA -0.147 54.807 54.840 0.190 0.000 0.810 88 L CB 1.588 43.769 42.059 0.203 0.000 1.153 88 L HN 0.422 nan 8.230 nan 0.000 0.439 89 S N 1.850 117.698 115.700 0.246 0.000 2.608 89 S HA 0.460 4.930 4.470 -0.000 0.000 0.291 89 S C -2.079 172.597 174.600 0.126 0.000 1.146 89 S CA -1.426 56.885 58.200 0.184 0.000 1.043 89 S CB 1.861 65.114 63.200 0.089 0.000 1.037 89 S HN 0.340 nan 8.310 nan 0.000 0.520 90 P HA -0.120 nan 4.420 nan 0.000 0.216 90 P C 0.889 177.979 177.300 -0.350 0.000 1.150 90 P CA 1.321 64.162 63.100 -0.432 0.000 0.843 90 P CB -0.017 31.557 31.700 -0.210 0.000 0.787 91 E N -0.715 119.399 120.200 -0.142 0.000 2.209 91 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 91 E C 1.999 178.558 176.600 -0.067 0.000 0.993 91 E CA 1.511 57.854 56.400 -0.094 0.000 0.819 91 E CB -0.768 28.909 29.700 -0.039 0.000 0.745 91 E HN 0.239 nan 8.360 nan 0.000 0.477 92 A N -0.044 122.763 122.820 -0.023 0.000 1.943 92 A HA -0.035 4.285 4.320 -0.000 0.000 0.213 92 A C 1.859 179.509 177.584 0.110 0.000 1.181 92 A CA 0.948 53.024 52.037 0.066 0.000 0.653 92 A CB -0.361 18.722 19.000 0.138 0.000 0.833 92 A HN 0.476 nan 8.150 nan 0.000 0.451 93 Y N -0.995 119.350 120.300 0.075 0.000 2.507 93 Y HA 0.435 4.985 4.550 -0.000 0.000 0.263 93 Y C 0.823 176.760 175.900 0.060 0.000 1.093 93 Y CA -0.534 57.623 58.100 0.093 0.000 1.285 93 Y CB -0.287 38.289 38.460 0.193 0.000 1.115 93 Y HN 0.193 nan 8.280 nan 0.000 0.533 94 Q N 1.871 121.377 119.800 -0.489 0.000 2.306 94 Q HA 0.166 4.506 4.340 -0.000 0.000 0.241 94 Q C -0.257 175.573 176.000 -0.284 0.000 0.948 94 Q CA -0.117 55.475 55.803 -0.353 0.000 0.886 94 Q CB 0.448 28.917 28.738 -0.448 0.000 1.227 94 Q HN 0.521 nan 8.270 nan 0.000 0.457 95 N N 1.276 119.698 118.700 -0.463 0.000 2.716 95 N HA -0.231 4.509 4.740 -0.000 0.000 0.250 95 N C -0.937 174.355 175.510 -0.364 0.000 1.033 95 N CA 0.043 52.600 53.050 -0.822 0.000 0.727 95 N CB -0.616 37.626 38.487 -0.408 0.000 0.950 95 N HN 0.431 nan 8.380 nan 0.000 0.541 96 N N 0.027 118.616 118.700 -0.184 0.000 2.479 96 N HA 0.276 5.016 4.740 -0.000 0.000 0.261 96 N C -2.044 173.520 175.510 0.090 0.000 0.979 96 N CA -2.221 50.830 53.050 0.001 0.000 0.930 96 N CB 1.594 40.096 38.487 0.026 0.000 1.172 96 N HN -0.184 nan 8.380 nan 0.000 0.499 97 P HA -0.017 nan 4.420 nan 0.000 0.221 97 P C 0.386 177.727 177.300 0.069 0.000 1.145 97 P CA 1.074 64.246 63.100 0.121 0.000 0.795 97 P CB 0.317 32.074 31.700 0.094 0.000 0.775 98 R N -0.871 119.654 120.500 0.042 0.000 2.426 98 R HA 0.215 4.555 4.340 -0.000 0.000 0.263 98 R C -0.426 175.853 176.300 -0.035 0.000 0.961 98 R CA -0.010 56.090 56.100 -0.002 0.000 1.086 98 R CB 0.369 30.660 30.300 -0.016 0.000 1.186 98 R HN 0.070 nan 8.270 nan 0.000 0.537 99 V N 0.264 120.186 119.914 0.015 0.000 2.444 99 V HA 0.577 4.697 4.120 -0.000 0.000 0.294 99 V C 0.365 176.500 176.094 0.067 0.000 1.022 99 V CA -0.799 61.512 62.300 0.018 0.000 0.850 99 V CB 1.674 33.569 31.823 0.121 0.000 0.992 99 V HN 0.314 nan 8.190 nan 0.000 0.426 100 G N 3.665 112.474 108.800 0.015 0.000 3.042 100 G HA2 0.802 4.762 3.960 -0.000 0.000 0.278 100 G HA3 0.802 4.762 3.960 -0.000 0.000 0.278 100 G C -1.700 173.243 174.900 0.071 0.000 1.371 100 G CA -0.650 44.466 45.100 0.026 0.000 1.009 100 G HN 0.570 nan 8.290 nan 0.000 0.523 101 L N 0.238 121.460 121.223 -0.002 0.000 2.505 101 L HA 0.647 4.986 4.340 -0.000 0.000 0.266 101 L C -1.600 175.189 176.870 -0.135 0.000 0.954 101 L CA -0.587 54.258 54.840 0.009 0.000 0.852 101 L CB 1.436 43.525 42.059 0.050 0.000 1.282 101 L HN 0.517 nan 8.230 nan 0.000 0.403 102 I N 5.059 125.552 120.570 -0.127 0.000 2.476 102 I HA 0.691 4.860 4.170 -0.000 0.000 0.281 102 I C -0.365 175.724 176.117 -0.047 0.000 1.040 102 I CA -0.299 60.899 61.300 -0.171 0.000 1.094 102 I CB 1.816 39.693 38.000 -0.206 0.000 1.219 102 I HN 0.757 nan 8.210 nan 0.000 0.450 103 A N 4.264 127.083 122.820 -0.002 0.000 2.566 103 A HA 0.941 5.260 4.320 -0.000 0.000 0.297 103 A C -0.709 176.910 177.584 0.060 0.000 1.059 103 A CA -0.376 51.677 52.037 0.027 0.000 0.691 103 A CB 1.818 20.828 19.000 0.017 0.000 1.282 103 A HN 0.759 nan 8.150 nan 0.000 0.401 104 G N -0.252 108.589 108.800 0.068 0.000 2.975 104 G HA2 0.868 4.828 3.960 -0.000 0.000 0.291 104 G HA3 0.868 4.828 3.960 -0.000 0.000 0.291 104 G C -0.444 174.502 174.900 0.076 0.000 1.334 104 G CA 0.179 45.327 45.100 0.081 0.000 0.843 104 G HN 1.957 nan 8.290 nan 0.000 0.548 105 S N -2.246 113.502 115.700 0.081 0.000 2.661 105 S HA 0.662 5.132 4.470 -0.000 0.000 0.285 105 S C 0.964 175.618 174.600 0.089 0.000 1.138 105 S CA 0.284 58.532 58.200 0.081 0.000 0.855 105 S CB 1.451 64.697 63.200 0.077 0.000 1.136 105 S HN 1.465 nan 8.310 nan 0.000 0.484 106 G N -0.217 108.638 108.800 0.092 0.000 2.408 106 G HA2 0.359 4.319 3.960 -0.000 0.000 0.215 106 G HA3 0.359 4.319 3.960 -0.000 0.000 0.215 106 G C 0.813 175.780 174.900 0.110 0.000 1.156 106 G CA 0.364 45.530 45.100 0.111 0.000 0.793 106 G HN 1.350 nan 8.290 nan 0.000 0.535 107 G N -1.229 107.632 108.800 0.101 0.000 4.299 107 G HA2 0.493 4.453 3.960 -0.000 0.000 0.290 107 G HA3 0.493 4.453 3.960 -0.000 0.000 0.290 107 G C 0.956 175.898 174.900 0.071 0.000 1.019 107 G CA 0.794 45.945 45.100 0.086 0.000 0.790 107 G HN 1.068 nan 8.290 nan 0.000 0.452 108 G N 0.626 109.470 108.800 0.072 0.000 2.620 108 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.315 108 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.315 108 G C 0.477 175.422 174.900 0.074 0.000 1.179 108 G CA 0.850 45.991 45.100 0.067 0.000 0.971 108 G HN 1.567 nan 8.290 nan 0.000 0.544 109 S N 1.349 117.100 115.700 0.085 0.000 2.383 109 S HA 0.640 5.109 4.470 -0.000 0.000 0.196 109 S C -1.459 173.198 174.600 0.095 0.000 1.364 109 S CA 0.070 58.339 58.200 0.115 0.000 1.212 109 S CB 1.747 65.067 63.200 0.199 0.000 1.171 109 S HN 0.259 nan 8.310 nan 0.000 0.456 110 P HA -0.075 nan 4.420 nan 0.000 0.218 110 P C 1.500 178.754 177.300 -0.077 0.000 1.149 110 P CA 0.595 63.678 63.100 -0.027 0.000 0.817 110 P CB 0.139 31.800 31.700 -0.065 0.000 0.785 111 R N -0.857 119.582 120.500 -0.101 0.000 2.073 111 R HA -0.126 4.213 4.340 -0.000 0.000 0.234 111 R C 1.834 178.014 176.300 -0.201 0.000 1.134 111 R CA 1.718 57.686 56.100 -0.220 0.000 0.952 111 R CB -0.954 29.184 30.300 -0.270 0.000 0.850 111 R HN 0.094 nan 8.270 nan 0.000 0.433 112 F N 0.557 120.518 119.950 0.019 0.000 2.456 112 F HA -0.014 4.513 4.527 -0.000 0.000 0.298 112 F C 2.640 178.529 175.800 0.149 0.000 1.104 112 F CA 0.632 58.696 58.000 0.106 0.000 1.435 112 F CB -0.009 39.023 39.000 0.053 0.000 1.078 112 F HN 0.086 nan 8.300 nan 0.000 0.546 113 Q N 0.139 120.060 119.800 0.201 0.000 2.079 113 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 113 Q C 2.563 178.609 176.000 0.076 0.000 0.974 113 Q CA 1.273 57.151 55.803 0.126 0.000 0.840 113 Q CB -0.625 28.155 28.738 0.070 0.000 0.898 113 Q HN 0.270 nan 8.270 nan 0.000 0.430 114 V N 0.843 120.776 119.914 0.031 0.000 2.427 114 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 114 V C 2.054 178.167 176.094 0.031 0.000 1.051 114 V CA 1.556 63.856 62.300 -0.001 0.000 1.048 114 V CB -0.754 31.023 31.823 -0.077 0.000 0.666 114 V HN 0.260 nan 8.190 nan 0.000 0.456 115 F N 2.224 122.130 119.950 -0.073 0.000 2.134 115 F HA -0.051 4.475 4.527 -0.000 0.000 0.299 115 F C 2.141 177.949 175.800 0.012 0.000 1.097 115 F CA 1.733 59.698 58.000 -0.058 0.000 1.264 115 F CB -0.873 38.041 39.000 -0.143 0.000 1.001 115 F HN 0.126 nan 8.300 nan 0.000 0.479 116 G N -0.142 108.620 108.800 -0.064 0.000 2.421 116 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 116 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 116 G C 1.838 176.637 174.900 -0.169 0.000 1.171 116 G CA 0.916 45.930 45.100 -0.144 0.000 0.775 116 G HN 0.638 nan 8.290 nan 0.000 0.543 117 A N 1.042 123.811 122.820 -0.086 0.000 1.902 117 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 117 A C 2.110 179.636 177.584 -0.097 0.000 1.181 117 A CA 2.190 54.187 52.037 -0.066 0.000 0.623 117 A CB -0.461 18.522 19.000 -0.027 0.000 0.818 117 A HN 0.285 nan 8.150 nan 0.000 0.443 118 D N 0.003 120.330 120.400 -0.122 0.000 2.117 118 D HA -0.033 4.607 4.640 -0.000 0.000 0.197 118 D C 2.242 178.437 176.300 -0.175 0.000 0.987 118 D CA 1.602 55.533 54.000 -0.114 0.000 0.829 118 D CB -0.432 40.321 40.800 -0.078 0.000 0.961 118 D HN 0.417 nan 8.370 nan 0.000 0.460 119 A N 0.515 123.132 122.820 -0.339 0.000 1.873 119 A HA -0.139 4.180 4.320 -0.000 0.000 0.215 119 A C 2.132 179.606 177.584 -0.183 0.000 1.186 119 A CA 1.617 53.457 52.037 -0.329 0.000 0.616 119 A CB -0.553 18.086 19.000 -0.602 0.000 0.823 119 A HN 0.163 nan 8.150 nan 0.000 0.442 120 M N 0.004 119.506 119.600 -0.163 0.000 2.202 120 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 120 M C 1.834 178.095 176.300 -0.065 0.000 1.063 120 M CA 1.527 56.772 55.300 -0.092 0.000 1.097 120 M CB -0.447 32.110 32.600 -0.071 0.000 1.382 120 M HN 0.362 nan 8.290 nan 0.000 0.413 121 R N -0.067 120.394 120.500 -0.066 0.000 2.307 121 R HA 0.165 4.505 4.340 -0.000 0.000 0.199 121 R C 1.105 177.382 176.300 -0.038 0.000 1.000 121 R CA 0.328 56.403 56.100 -0.042 0.000 1.023 121 R CB -0.459 29.821 30.300 -0.034 0.000 0.908 121 R HN 0.486 nan 8.270 nan 0.000 0.473 122 G N 1.174 109.944 108.800 -0.049 0.000 2.621 122 G HA2 0.092 4.051 3.960 -0.000 0.000 0.271 122 G HA3 0.092 4.051 3.960 -0.000 0.000 0.271 122 G C -1.447 173.437 174.900 -0.027 0.000 1.236 122 G CA -0.971 44.108 45.100 -0.036 0.000 0.958 122 G HN -0.042 nan 8.290 nan 0.000 0.512 123 P HA -0.033 nan 4.420 nan 0.000 0.223 123 P C 1.239 178.531 177.300 -0.012 0.000 1.151 123 P CA 0.722 63.814 63.100 -0.013 0.000 0.787 123 P CB 0.341 32.037 31.700 -0.007 0.000 0.788 124 R N -0.716 119.775 120.500 -0.015 0.000 2.246 124 R HA 0.170 4.510 4.340 -0.000 0.000 0.199 124 R C 1.742 178.031 176.300 -0.018 0.000 0.984 124 R CA 0.591 56.684 56.100 -0.012 0.000 1.015 124 R CB -0.488 29.809 30.300 -0.006 0.000 0.930 124 R HN 0.177 nan 8.270 nan 0.000 0.475 125 G N 1.988 110.770 108.800 -0.029 0.000 2.660 125 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.321 125 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.321 125 G C 0.854 175.734 174.900 -0.034 0.000 1.246 125 G CA 0.551 45.631 45.100 -0.033 0.000 1.000 125 G HN 0.223 nan 8.290 nan 0.000 0.550 126 L N 0.551 121.760 121.223 -0.022 0.000 2.081 126 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 126 L C 3.035 179.900 176.870 -0.008 0.000 1.080 126 L CA 2.269 57.099 54.840 -0.016 0.000 0.754 126 L CB -0.530 41.522 42.059 -0.012 0.000 0.893 126 L HN 0.533 nan 8.230 nan 0.000 0.433 127 K N 0.017 120.415 120.400 -0.004 0.000 2.147 127 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 127 K C 2.149 178.762 176.600 0.021 0.000 1.049 127 K CA 1.362 57.654 56.287 0.008 0.000 0.936 127 K CB -0.215 32.289 32.500 0.007 0.000 0.722 127 K HN 0.315 nan 8.250 nan 0.000 0.446 128 A N 0.775 123.597 122.820 0.003 0.000 2.067 128 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 128 A C 2.236 179.823 177.584 0.004 0.000 1.156 128 A CA 0.726 52.766 52.037 0.005 0.000 0.683 128 A CB -0.173 18.801 19.000 -0.044 0.000 0.808 128 A HN 0.037 nan 8.150 nan 0.000 0.455 129 V N -0.516 119.389 119.914 -0.016 0.000 2.283 129 V HA 0.258 4.378 4.120 -0.000 0.000 0.243 129 V C 1.557 177.747 176.094 0.160 0.000 1.039 129 V CA 1.173 63.479 62.300 0.011 0.000 1.016 129 V CB -1.768 30.049 31.823 -0.011 0.000 0.650 129 V HN 1.182 nan 8.190 nan 0.000 0.449 130 G N 0.711 109.568 108.800 0.096 0.000 2.730 130 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.686 130 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.686 130 G C -1.790 173.117 174.900 0.011 0.000 1.343 130 G CA -0.101 45.051 45.100 0.087 0.000 0.826 130 G HN 0.304 nan 8.290 nan 0.000 0.582 131 P HA 0.204 nan 4.420 nan 0.000 0.257 131 P C 0.288 177.384 177.300 -0.339 0.000 1.325 131 P CA 0.622 63.566 63.100 -0.260 0.000 0.850 131 P CB 0.011 31.498 31.700 -0.355 0.000 1.324 132 Y N -1.352 118.967 120.300 0.032 0.000 2.444 132 Y HA 0.068 4.618 4.550 -0.000 0.000 0.249 132 Y C 2.364 178.268 175.900 0.007 0.000 1.134 132 Y CA 0.023 58.117 58.100 -0.009 0.000 1.261 132 Y CB -0.443 37.914 38.460 -0.171 0.000 1.143 132 Y HN -0.274 nan 8.280 nan 0.000 0.523 133 V N -0.994 119.031 119.914 0.186 0.000 2.407 133 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 133 V C 2.170 178.339 176.094 0.125 0.000 1.055 133 V CA 1.654 64.067 62.300 0.189 0.000 1.049 133 V CB -0.921 31.066 31.823 0.273 0.000 0.662 133 V HN 0.217 nan 8.190 nan 0.000 0.455 134 V N 1.252 121.230 119.914 0.107 0.000 2.250 134 V HA -0.330 3.790 4.120 -0.000 0.000 0.250 134 V C 2.804 178.943 176.094 0.075 0.000 1.060 134 V CA 2.826 65.175 62.300 0.082 0.000 1.030 134 V CB -1.446 30.415 31.823 0.063 0.000 0.643 134 V HN 0.826 nan 8.190 nan 0.000 0.445 135 T N -2.297 112.317 114.554 0.100 0.000 2.995 135 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 135 T C 1.698 176.417 174.700 0.031 0.000 1.091 135 T CA 1.179 63.329 62.100 0.083 0.000 1.128 135 T CB -0.227 68.735 68.868 0.156 0.000 0.891 135 T HN 0.502 nan 8.240 nan 0.000 0.492 136 K N 0.918 121.304 120.400 -0.024 0.000 2.137 136 K HA 0.349 4.669 4.320 -0.000 0.000 0.202 136 K C 2.593 179.182 176.600 -0.019 0.000 1.052 136 K CA 0.905 57.098 56.287 -0.157 0.000 0.961 136 K CB -0.113 32.068 32.500 -0.532 0.000 0.741 136 K HN 0.416 nan 8.250 nan 0.000 0.452 137 A N 1.859 124.715 122.820 0.060 0.000 2.081 137 A HA 0.080 4.400 4.320 -0.000 0.000 0.214 137 A C 1.227 178.853 177.584 0.072 0.000 1.158 137 A CA -0.090 52.010 52.037 0.104 0.000 0.724 137 A CB -0.403 18.679 19.000 0.136 0.000 0.826 137 A HN 0.313 nan 8.150 nan 0.000 0.463 138 M N -1.686 117.948 119.600 0.056 0.000 2.250 138 M HA 0.470 4.950 4.480 -0.000 0.000 0.325 138 M C 0.896 177.225 176.300 0.049 0.000 1.084 138 M CA 0.479 55.808 55.300 0.048 0.000 1.161 138 M CB 0.529 33.153 32.600 0.041 0.000 1.481 138 M HN 0.038 nan 8.290 nan 0.000 0.449 139 A N 1.768 124.617 122.820 0.049 0.000 2.121 139 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 139 A C 1.968 179.588 177.584 0.060 0.000 1.154 139 A CA 1.497 53.567 52.037 0.054 0.000 0.679 139 A CB -0.824 18.207 19.000 0.051 0.000 0.795 139 A HN 0.997 nan 8.150 nan 0.000 0.458 140 S N -1.223 114.511 115.700 0.057 0.000 2.577 140 S HA 0.278 4.748 4.470 -0.000 0.000 0.219 140 S C 1.674 176.308 174.600 0.056 0.000 0.962 140 S CA 0.569 58.808 58.200 0.065 0.000 0.921 140 S CB -0.244 62.996 63.200 0.067 0.000 0.789 140 S HN 0.525 nan 8.310 nan 0.000 0.497 141 G N 2.299 111.127 108.800 0.047 0.000 2.476 141 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 141 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 141 G C 1.311 176.237 174.900 0.043 0.000 1.164 141 G CA 1.277 46.398 45.100 0.036 0.000 0.768 141 G HN 0.471 nan 8.290 nan 0.000 0.560 142 V N 1.765 121.710 119.914 0.053 0.000 2.332 142 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 142 V C 3.285 179.422 176.094 0.072 0.000 1.055 142 V CA 2.544 64.882 62.300 0.064 0.000 1.038 142 V CB -0.591 31.272 31.823 0.066 0.000 0.651 142 V HN 0.648 nan 8.190 nan 0.000 0.450 143 S N 0.813 116.553 115.700 0.066 0.000 2.357 143 S HA -0.059 4.411 4.470 -0.000 0.000 0.221 143 S C 2.145 176.783 174.600 0.064 0.000 1.031 143 S CA 1.121 59.357 58.200 0.060 0.000 0.982 143 S CB -0.544 62.691 63.200 0.059 0.000 0.853 143 S HN 0.547 nan 8.310 nan 0.000 0.458 144 A N 1.029 123.881 122.820 0.054 0.000 1.877 144 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 144 A C 2.435 180.036 177.584 0.029 0.000 1.186 144 A CA 1.595 53.651 52.037 0.032 0.000 0.620 144 A CB -1.571 17.436 19.000 0.011 0.000 0.822 144 A HN 0.702 nan 8.150 nan 0.000 0.443 145 C N -1.265 118.061 119.300 0.043 0.000 2.437 145 C HA 0.068 4.528 4.460 -0.000 0.000 0.283 145 C C 2.322 177.395 174.990 0.138 0.000 1.424 145 C CA 0.880 59.931 59.018 0.054 0.000 1.782 145 C CB -1.314 26.455 27.740 0.048 0.000 1.833 145 C HN 0.538 nan 8.230 nan 0.000 0.532 146 L N 0.221 121.555 121.223 0.185 0.000 2.388 146 L HA 0.250 4.590 4.340 -0.000 0.000 0.209 146 L C 2.610 179.654 176.870 0.289 0.000 1.061 146 L CA 1.417 56.453 54.840 0.325 0.000 0.834 146 L CB -1.029 41.191 42.059 0.268 0.000 1.029 146 L HN 0.161 nan 8.230 nan 0.000 0.473 147 A N -0.819 122.099 122.820 0.164 0.000 1.908 147 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 147 A C 2.327 179.995 177.584 0.139 0.000 1.181 147 A CA 2.492 54.615 52.037 0.144 0.000 0.627 147 A CB -0.954 18.102 19.000 0.093 0.000 0.818 147 A HN 0.389 nan 8.150 nan 0.000 0.445 148 T N 0.309 114.914 114.554 0.084 0.000 2.668 148 T HA -0.069 4.281 4.350 -0.000 0.000 0.262 148 T C -0.019 174.699 174.700 0.031 0.000 1.045 148 T CA 1.679 63.803 62.100 0.041 0.000 1.152 148 T CB -1.042 67.808 68.868 -0.030 0.000 0.864 148 T HN 0.513 nan 8.240 nan 0.000 0.419 149 P HA -0.043 nan 4.420 nan 0.000 0.218 149 P C 0.859 178.033 177.300 -0.210 0.000 1.149 149 P CA 1.216 64.249 63.100 -0.111 0.000 0.817 149 P CB -0.272 31.364 31.700 -0.106 0.000 0.785 150 F N 0.089 120.088 119.950 0.083 0.000 2.773 150 F HA 0.205 4.732 4.527 -0.000 0.000 0.304 150 F C 0.953 176.810 175.800 0.094 0.000 1.129 150 F CA -0.077 57.971 58.000 0.079 0.000 1.378 150 F CB -0.438 38.534 39.000 -0.048 0.000 1.095 150 F HN -0.218 nan 8.300 nan 0.000 0.565 151 K N 1.135 121.631 120.400 0.159 0.000 3.148 151 K HA -0.190 4.129 4.320 -0.000 0.000 0.267 151 K C -0.556 176.108 176.600 0.108 0.000 0.996 151 K CA -0.016 56.326 56.287 0.091 0.000 0.737 151 K CB -1.567 30.918 32.500 -0.026 0.000 1.308 151 K HN 0.142 nan 8.250 nan 0.000 0.470 152 I N 0.993 121.684 120.570 0.202 0.000 2.496 152 I HA 0.020 4.190 4.170 -0.000 0.000 0.285 152 I C 1.728 178.025 176.117 0.300 0.000 1.080 152 I CA 0.433 61.863 61.300 0.217 0.000 1.404 152 I CB 0.728 38.845 38.000 0.194 0.000 1.403 152 I HN 0.304 nan 8.210 nan 0.000 0.539 153 H N 3.217 122.337 119.070 0.084 0.000 2.874 153 H HA 0.170 4.726 4.556 -0.000 0.000 0.264 153 H C 1.375 176.729 175.328 0.042 0.000 1.007 153 H CA 0.014 56.094 56.048 0.053 0.000 1.207 153 H CB 1.391 31.180 29.762 0.044 0.000 1.487 153 H HN 0.768 nan 8.280 nan 0.000 0.505 154 G N 1.113 110.010 108.800 0.161 0.000 2.624 154 G HA2 0.196 4.156 3.960 -0.000 0.000 0.217 154 G HA3 0.196 4.156 3.960 -0.000 0.000 0.217 154 G C 0.160 175.087 174.900 0.045 0.000 1.506 154 G CA 0.080 45.229 45.100 0.082 0.000 1.072 154 G HN 0.126 nan 8.290 nan 0.000 0.568 155 V N -0.814 119.099 119.914 -0.001 0.000 2.872 155 V HA 0.432 4.552 4.120 -0.000 0.000 0.307 155 V C -0.224 175.794 176.094 -0.128 0.000 1.072 155 V CA -0.237 62.029 62.300 -0.056 0.000 1.148 155 V CB 1.026 32.771 31.823 -0.131 0.000 0.954 155 V HN 0.743 nan 8.190 nan 0.000 0.490 156 N N 3.449 122.072 118.700 -0.127 0.000 2.599 156 N HA 0.549 5.289 4.740 -0.000 0.000 0.283 156 N C -1.165 174.349 175.510 0.007 0.000 1.160 156 N CA -0.577 52.415 53.050 -0.097 0.000 0.869 156 N CB 1.207 39.706 38.487 0.020 0.000 1.448 156 N HN 1.002 nan 8.380 nan 0.000 0.535 157 Y N -1.119 119.205 120.300 0.039 0.000 2.779 157 Y HA 0.647 5.196 4.550 -0.000 0.000 0.340 157 Y C -1.336 174.586 175.900 0.036 0.000 1.252 157 Y CA -1.218 56.901 58.100 0.033 0.000 1.072 157 Y CB 0.501 38.977 38.460 0.026 0.000 1.343 157 Y HN 0.117 nan 8.280 nan 0.000 0.450 158 S N 1.571 117.459 115.700 0.314 0.000 2.472 158 S HA 0.694 5.164 4.470 -0.000 0.000 0.303 158 S C -0.827 173.911 174.600 0.229 0.000 1.099 158 S CA -0.691 57.634 58.200 0.209 0.000 1.077 158 S CB 0.978 64.257 63.200 0.130 0.000 1.031 158 S HN 0.510 nan 8.310 nan 0.000 0.487 159 I N 2.786 123.475 120.570 0.197 0.000 2.412 159 I HA 0.437 4.607 4.170 -0.000 0.000 0.296 159 I C 0.000 176.195 176.117 0.129 0.000 0.987 159 I CA -0.372 61.023 61.300 0.159 0.000 1.180 159 I CB 1.876 39.985 38.000 0.182 0.000 1.340 159 I HN 0.659 nan 8.210 nan 0.000 0.455 160 S N 2.810 118.572 115.700 0.104 0.000 2.521 160 S HA 0.711 5.181 4.470 -0.000 0.000 0.295 160 S C -0.298 174.374 174.600 0.121 0.000 1.098 160 S CA -0.510 57.758 58.200 0.112 0.000 0.999 160 S CB 1.768 65.023 63.200 0.091 0.000 1.034 160 S HN 0.676 nan 8.310 nan 0.000 0.483 161 S N 0.540 116.341 115.700 0.169 0.000 2.530 161 S HA 0.607 5.077 4.470 -0.000 0.000 0.203 161 S C 0.586 175.323 174.600 0.228 0.000 0.787 161 S CA -0.133 58.190 58.200 0.203 0.000 1.015 161 S CB -0.701 62.681 63.200 0.303 0.000 1.687 161 S HN 2.361 nan 8.310 nan 0.000 0.484 162 A N 0.832 123.777 122.820 0.208 0.000 5.391 162 A HA -0.348 3.971 4.320 -0.000 0.000 0.315 162 A C 1.762 179.472 177.584 0.211 0.000 1.874 162 A CA 1.313 53.498 52.037 0.246 0.000 0.714 162 A CB -2.319 16.898 19.000 0.362 0.000 1.335 162 A HN 1.613 nan 8.150 nan 0.000 0.382 163 C N -0.010 119.439 119.300 0.248 0.000 2.409 163 C HA 0.264 4.724 4.460 -0.000 0.000 0.288 163 C C 2.853 177.907 174.990 0.107 0.000 1.395 163 C CA 1.441 60.588 59.018 0.215 0.000 1.792 163 C CB -1.992 25.881 27.740 0.223 0.000 1.847 163 C HN 1.490 nan 8.230 nan 0.000 0.534 164 A N 0.132 123.018 122.820 0.111 0.000 2.267 164 A HA 0.116 4.436 4.320 -0.000 0.000 0.213 164 A C 1.926 179.558 177.584 0.081 0.000 1.192 164 A CA 1.030 53.082 52.037 0.025 0.000 0.851 164 A CB -0.669 18.343 19.000 0.019 0.000 0.881 164 A HN 0.467 nan 8.150 nan 0.000 0.494 165 T N 1.496 116.145 114.554 0.158 0.000 2.527 165 T HA -0.276 4.074 4.350 -0.000 0.000 0.258 165 T C 2.217 176.987 174.700 0.117 0.000 1.175 165 T CA 2.759 64.958 62.100 0.166 0.000 1.168 165 T CB -0.554 68.389 68.868 0.126 0.000 0.860 165 T HN 0.808 nan 8.240 nan 0.000 0.429 166 S N 1.363 117.093 115.700 0.051 0.000 2.515 166 S HA 0.243 4.713 4.470 -0.000 0.000 0.231 166 S C 2.220 176.800 174.600 -0.033 0.000 0.987 166 S CA 0.704 58.910 58.200 0.010 0.000 0.936 166 S CB -0.361 62.830 63.200 -0.016 0.000 0.766 166 S HN 0.567 nan 8.310 nan 0.000 0.528 167 A N 1.878 124.662 122.820 -0.060 0.000 1.872 167 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 167 A C 1.913 179.437 177.584 -0.101 0.000 1.187 167 A CA 1.261 53.225 52.037 -0.122 0.000 0.614 167 A CB -1.026 17.863 19.000 -0.186 0.000 0.826 167 A HN 0.650 nan 8.150 nan 0.000 0.442 168 H N -1.553 117.548 119.070 0.051 0.000 2.421 168 H HA -0.129 4.426 4.556 -0.000 0.000 0.298 168 H C 2.180 177.501 175.328 -0.012 0.000 1.087 168 H CA 1.299 57.401 56.048 0.090 0.000 1.330 168 H CB -0.172 29.678 29.762 0.146 0.000 1.388 168 H HN 0.533 nan 8.280 nan 0.000 0.526 169 C N 0.192 119.552 119.300 0.100 0.000 2.432 169 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 169 C C 2.689 177.636 174.990 -0.070 0.000 1.249 169 C CA 0.838 59.876 59.018 0.034 0.000 1.725 169 C CB -0.802 26.953 27.740 0.025 0.000 2.028 169 C HN 0.532 nan 8.230 nan 0.000 0.477 170 I N 0.952 121.445 120.570 -0.128 0.000 2.226 170 I HA -0.106 4.063 4.170 -0.000 0.000 0.245 170 I C 2.704 178.619 176.117 -0.336 0.000 1.100 170 I CA 1.766 62.949 61.300 -0.196 0.000 1.374 170 I CB -0.885 37.005 38.000 -0.185 0.000 1.057 170 I HN 0.452 nan 8.210 nan 0.000 0.413 171 G N 0.554 108.998 108.800 -0.593 0.000 2.418 171 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 171 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 171 G C 1.489 175.998 174.900 -0.652 0.000 1.158 171 G CA 0.668 44.946 45.100 -1.369 0.000 0.771 171 G HN 0.339 nan 8.290 nan 0.000 0.545 172 N N 1.144 119.693 118.700 -0.251 0.000 2.244 172 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 172 N C 2.508 177.994 175.510 -0.040 0.000 1.016 172 N CA 1.154 54.201 53.050 -0.005 0.000 0.866 172 N CB -0.121 38.436 38.487 0.116 0.000 0.980 172 N HN 0.254 nan 8.380 nan 0.000 0.430 173 A N 0.630 123.385 122.820 -0.109 0.000 1.898 173 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 173 A C 2.485 180.004 177.584 -0.108 0.000 1.181 173 A CA 1.119 53.088 52.037 -0.114 0.000 0.620 173 A CB -0.716 18.198 19.000 -0.142 0.000 0.819 173 A HN 0.156 nan 8.150 nan 0.000 0.442 174 V N 0.170 120.003 119.914 -0.135 0.000 2.343 174 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 174 V C 2.383 178.459 176.094 -0.031 0.000 1.051 174 V CA 2.315 64.559 62.300 -0.094 0.000 1.036 174 V CB -0.862 30.893 31.823 -0.113 0.000 0.654 174 V HN 0.641 nan 8.190 nan 0.000 0.451 175 E N -0.539 119.660 120.200 -0.002 0.000 2.110 175 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 175 E C 2.387 179.005 176.600 0.029 0.000 0.988 175 E CA 1.060 57.492 56.400 0.052 0.000 0.804 175 E CB -0.129 29.635 29.700 0.106 0.000 0.745 175 E HN 0.548 nan 8.360 nan 0.000 0.458 176 Q N 0.082 119.886 119.800 0.007 0.000 2.124 176 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 176 Q C 2.195 178.184 176.000 -0.018 0.000 0.977 176 Q CA 0.999 56.801 55.803 -0.002 0.000 0.850 176 Q CB -0.113 28.610 28.738 -0.026 0.000 0.901 176 Q HN 0.295 nan 8.270 nan 0.000 0.429 177 I N 0.915 121.463 120.570 -0.035 0.000 2.286 177 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 177 I C 2.344 178.452 176.117 -0.014 0.000 1.104 177 I CA 1.175 62.451 61.300 -0.040 0.000 1.397 177 I CB -0.427 37.538 38.000 -0.059 0.000 1.072 177 I HN 0.174 nan 8.210 nan 0.000 0.417 178 Q N -0.108 119.692 119.800 -0.000 0.000 2.124 178 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 178 Q C 2.099 178.109 176.000 0.017 0.000 0.977 178 Q CA 1.235 57.047 55.803 0.014 0.000 0.850 178 Q CB -0.253 28.504 28.738 0.032 0.000 0.901 178 Q HN 0.460 nan 8.270 nan 0.000 0.429 179 L N -0.354 120.881 121.223 0.019 0.000 2.610 179 L HA 0.060 4.400 4.340 -0.000 0.000 0.232 179 L C 1.109 177.988 176.870 0.014 0.000 1.149 179 L CA 0.383 55.235 54.840 0.021 0.000 0.872 179 L CB -0.316 41.760 42.059 0.028 0.000 0.992 179 L HN 0.445 nan 8.230 nan 0.000 0.447 180 G N 0.332 109.136 108.800 0.006 0.000 2.168 180 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.257 180 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.257 180 G C 0.987 175.889 174.900 0.002 0.000 0.997 180 G CA 0.664 45.766 45.100 0.003 0.000 0.708 180 G HN 0.421 nan 8.290 nan 0.000 0.520 181 K N -0.948 119.453 120.400 0.001 0.000 2.314 181 K HA 0.114 4.434 4.320 -0.000 0.000 0.198 181 K C 0.918 177.512 176.600 -0.011 0.000 1.045 181 K CA 0.717 57.006 56.287 0.004 0.000 0.988 181 K CB 0.127 32.636 32.500 0.015 0.000 0.783 181 K HN 0.430 nan 8.250 nan 0.000 0.484 182 Q N -0.213 119.567 119.800 -0.034 0.000 2.389 182 Q HA 0.146 4.486 4.340 -0.000 0.000 0.277 182 Q C -0.554 175.382 176.000 -0.108 0.000 1.082 182 Q CA -0.352 55.411 55.803 -0.066 0.000 0.810 182 Q CB 2.026 30.716 28.738 -0.079 0.000 1.374 182 Q HN -0.051 nan 8.270 nan 0.000 0.422 183 D N 0.356 120.654 120.400 -0.170 0.000 2.277 183 D HA 0.267 4.907 4.640 -0.000 0.000 0.209 183 D C 0.259 176.339 176.300 -0.366 0.000 0.970 183 D CA 0.842 54.669 54.000 -0.289 0.000 0.874 183 D CB 1.246 41.765 40.800 -0.469 0.000 0.982 183 D HN 0.371 nan 8.370 nan 0.000 0.504 184 I N 0.610 120.980 120.570 -0.333 0.000 2.656 184 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 184 I C -1.237 174.661 176.117 -0.365 0.000 1.144 184 I CA -0.764 60.302 61.300 -0.391 0.000 1.038 184 I CB 3.337 41.054 38.000 -0.472 0.000 1.244 184 I HN -0.419 nan 8.210 nan 0.000 0.420 185 V N 5.753 125.418 119.914 -0.415 0.000 2.569 185 V HA 0.394 4.514 4.120 -0.000 0.000 0.301 185 V C -0.760 175.092 176.094 -0.404 0.000 1.044 185 V CA -0.592 61.515 62.300 -0.321 0.000 0.874 185 V CB 1.855 33.561 31.823 -0.195 0.000 1.002 185 V HN 0.384 nan 8.190 nan 0.000 0.424 186 F N 3.326 123.171 119.950 -0.175 0.000 2.438 186 F HA 0.694 5.221 4.527 -0.000 0.000 0.356 186 F C 0.730 176.428 175.800 -0.171 0.000 1.099 186 F CA -0.008 57.872 58.000 -0.200 0.000 1.185 186 F CB 1.227 40.070 39.000 -0.261 0.000 1.115 186 F HN 0.579 nan 8.300 nan 0.000 0.526 187 A N 2.516 125.327 122.820 -0.016 0.000 2.371 187 A HA 0.932 5.252 4.320 -0.000 0.000 0.311 187 A C -0.065 177.490 177.584 -0.048 0.000 1.068 187 A CA 0.087 52.094 52.037 -0.050 0.000 0.744 187 A CB 1.429 20.371 19.000 -0.096 0.000 1.239 187 A HN 1.020 nan 8.150 nan 0.000 0.435 188 G N -0.214 108.564 108.800 -0.036 0.000 2.498 188 G HA2 0.748 4.708 3.960 -0.000 0.000 0.181 188 G HA3 0.748 4.708 3.960 -0.000 0.000 0.181 188 G C -0.162 174.732 174.900 -0.008 0.000 1.169 188 G CA 0.415 45.492 45.100 -0.037 0.000 0.992 188 G HN 2.313 nan 8.290 nan 0.000 0.490 189 G N -2.165 106.636 108.800 0.002 0.000 2.349 189 G HA2 0.794 4.754 3.960 -0.000 0.000 0.294 189 G HA3 0.794 4.754 3.960 -0.000 0.000 0.294 189 G C -0.550 174.382 174.900 0.053 0.000 1.380 189 G CA 0.640 45.759 45.100 0.032 0.000 0.811 189 G HN 2.041 nan 8.290 nan 0.000 0.519 190 G N -1.330 107.518 108.800 0.079 0.000 2.684 190 G HA2 0.708 4.668 3.960 -0.000 0.000 0.290 190 G HA3 0.708 4.668 3.960 -0.000 0.000 0.290 190 G C -1.909 173.065 174.900 0.124 0.000 1.425 190 G CA -0.298 44.878 45.100 0.127 0.000 0.822 190 G HN 0.741 nan 8.290 nan 0.000 0.482 191 E N -0.362 119.946 120.200 0.180 0.000 2.347 191 E HA 0.341 4.691 4.350 -0.000 0.000 0.285 191 E C -0.426 176.297 176.600 0.204 0.000 0.925 191 E CA -0.652 55.831 56.400 0.139 0.000 0.779 191 E CB 1.482 31.230 29.700 0.081 0.000 1.233 191 E HN 0.712 nan 8.360 nan 0.000 0.414 192 E N 3.066 123.347 120.200 0.135 0.000 2.349 192 E HA 0.448 4.798 4.350 -0.000 0.000 0.262 192 E C -0.759 175.902 176.600 0.103 0.000 1.088 192 E CA -0.868 55.609 56.400 0.128 0.000 0.899 192 E CB 1.245 30.977 29.700 0.054 0.000 1.044 192 E HN 0.244 nan 8.360 nan 0.000 0.420 193 L N 2.647 123.910 121.223 0.066 0.000 2.319 193 L HA 0.444 4.784 4.340 -0.000 0.000 0.281 193 L C -1.304 175.609 176.870 0.072 0.000 1.005 193 L CA -0.358 54.485 54.840 0.005 0.000 0.828 193 L CB 0.798 42.706 42.059 -0.252 0.000 1.227 193 L HN 0.924 nan 8.230 nan 0.000 0.415 194 C N 2.260 121.660 119.300 0.167 0.000 3.241 194 C HA 0.418 4.878 4.460 -0.000 0.000 0.348 194 C C 1.059 176.142 174.990 0.154 0.000 1.180 194 C CA -1.064 58.045 59.018 0.153 0.000 1.273 194 C CB 0.625 28.324 27.740 -0.068 0.000 1.620 194 C HN 1.040 nan 8.230 nan 0.000 0.510 195 W N 1.121 122.528 121.300 0.179 0.000 2.374 195 W HA 0.005 4.664 4.660 -0.000 0.000 0.288 195 W C 1.042 177.618 176.519 0.095 0.000 1.218 195 W CA 1.818 59.231 57.345 0.114 0.000 1.245 195 W CB -1.063 28.424 29.460 0.045 0.000 1.126 195 W HN 0.876 nan 8.180 nan 0.000 0.545 196 E N 0.800 120.383 120.200 -1.028 0.000 2.086 196 E HA -0.272 4.078 4.350 -0.000 0.000 0.200 196 E C 2.362 178.795 176.600 -0.278 0.000 1.012 196 E CA 2.808 58.632 56.400 -0.960 0.000 0.812 196 E CB -0.708 28.461 29.700 -0.886 0.000 0.743 196 E HN 0.339 nan 8.360 nan 0.000 0.453 197 M N -0.674 118.856 119.600 -0.117 0.000 2.325 197 M HA 0.087 4.567 4.480 -0.000 0.000 0.265 197 M C 2.128 178.550 176.300 0.202 0.000 1.094 197 M CA 1.175 56.502 55.300 0.046 0.000 1.161 197 M CB 0.077 32.742 32.600 0.108 0.000 1.358 197 M HN 0.178 nan 8.290 nan 0.000 0.446 198 A N 0.609 123.580 122.820 0.251 0.000 1.917 198 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 198 A C 2.333 180.088 177.584 0.284 0.000 1.182 198 A CA 1.929 54.169 52.037 0.338 0.000 0.633 198 A CB -1.796 17.378 19.000 0.289 0.000 0.819 198 A HN 0.873 nan 8.150 nan 0.000 0.448 199 C N -0.622 118.819 119.300 0.234 0.000 2.410 199 C HA -0.089 4.370 4.460 -0.000 0.000 0.281 199 C C 2.167 177.214 174.990 0.094 0.000 1.318 199 C CA 1.073 60.203 59.018 0.187 0.000 1.776 199 C CB -1.624 26.270 27.740 0.258 0.000 1.942 199 C HN 0.659 nan 8.230 nan 0.000 0.508 200 E N 0.428 120.642 120.200 0.024 0.000 2.110 200 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 200 E C 1.771 178.228 176.600 -0.239 0.000 0.988 200 E CA 1.544 57.851 56.400 -0.156 0.000 0.804 200 E CB -0.303 29.205 29.700 -0.319 0.000 0.745 200 E HN 0.801 nan 8.360 nan 0.000 0.458 201 F N 0.908 120.849 119.950 -0.015 0.000 2.234 201 F HA -0.104 4.423 4.527 -0.000 0.000 0.296 201 F C 2.205 177.968 175.800 -0.061 0.000 1.089 201 F CA 0.875 58.848 58.000 -0.045 0.000 1.343 201 F CB -0.122 38.867 39.000 -0.018 0.000 1.040 201 F HN -0.038 nan 8.300 nan 0.000 0.498 202 D N 0.423 120.896 120.400 0.122 0.000 2.117 202 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 202 D C 2.254 178.576 176.300 0.036 0.000 0.987 202 D CA 1.291 55.323 54.000 0.054 0.000 0.829 202 D CB -0.232 40.605 40.800 0.062 0.000 0.961 202 D HN 0.159 nan 8.370 nan 0.000 0.460 203 A N 0.118 122.954 122.820 0.026 0.000 2.125 203 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 203 A C 2.218 179.804 177.584 0.004 0.000 1.156 203 A CA 1.178 53.221 52.037 0.010 0.000 0.671 203 A CB -0.613 18.386 19.000 -0.002 0.000 0.794 203 A HN 0.383 nan 8.150 nan 0.000 0.459 204 M N -1.601 118.001 119.600 0.003 0.000 2.509 204 M HA 0.239 4.718 4.480 -0.000 0.000 0.250 204 M C 1.153 177.489 176.300 0.059 0.000 1.132 204 M CA 1.043 56.354 55.300 0.018 0.000 1.080 204 M CB 0.335 32.929 32.600 -0.011 0.000 1.408 204 M HN 0.601 nan 8.290 nan 0.000 0.484 205 G N 0.329 109.161 108.800 0.053 0.000 2.147 205 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 205 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 205 G C 0.515 175.462 174.900 0.079 0.000 1.005 205 G CA 0.353 45.486 45.100 0.055 0.000 0.713 205 G HN 0.651 nan 8.290 nan 0.000 0.515 206 A N -0.874 122.001 122.820 0.091 0.000 2.267 206 A HA 0.698 5.018 4.320 -0.000 0.000 0.213 206 A C 1.131 178.617 177.584 -0.163 0.000 1.192 206 A CA 0.490 52.605 52.037 0.130 0.000 0.851 206 A CB 0.214 19.446 19.000 0.386 0.000 0.881 206 A HN 0.599 nan 8.150 nan 0.000 0.494 207 L N -0.048 121.037 121.223 -0.229 0.000 2.360 207 L HA 0.380 4.720 4.340 -0.000 0.000 0.271 207 L C 0.685 177.485 176.870 -0.117 0.000 1.057 207 L CA -0.627 54.008 54.840 -0.343 0.000 0.803 207 L CB 1.670 43.560 42.059 -0.281 0.000 1.207 207 L HN 0.156 nan 8.230 nan 0.000 0.445 208 S N 0.023 115.683 115.700 -0.066 0.000 2.531 208 S HA 0.169 4.639 4.470 -0.000 0.000 0.279 208 S C 0.716 175.329 174.600 0.021 0.000 1.305 208 S CA 0.146 58.376 58.200 0.050 0.000 1.058 208 S CB 0.471 63.747 63.200 0.127 0.000 0.899 208 S HN 0.820 nan 8.310 nan 0.000 0.493 209 T N 1.525 116.085 114.554 0.009 0.000 3.041 209 T HA 0.338 4.688 4.350 -0.000 0.000 0.276 209 T C 0.814 175.443 174.700 -0.117 0.000 0.948 209 T CA -0.514 61.540 62.100 -0.076 0.000 0.885 209 T CB 0.068 68.880 68.868 -0.093 0.000 1.175 209 T HN 0.492 nan 8.240 nan 0.000 0.529 210 K N 0.864 121.181 120.400 -0.138 0.000 2.404 210 K HA 0.255 4.575 4.320 -0.000 0.000 0.194 210 K C -0.391 175.851 176.600 -0.596 0.000 1.023 210 K CA 0.269 56.330 56.287 -0.377 0.000 1.094 210 K CB 0.012 32.207 32.500 -0.508 0.000 0.841 210 K HN 0.580 nan 8.250 nan 0.000 0.523 211 Y N -0.259 120.039 120.300 -0.003 0.000 2.715 211 Y HA 0.237 4.787 4.550 -0.000 0.000 0.255 211 Y C 0.966 176.885 175.900 0.031 0.000 1.139 211 Y CA -0.505 57.604 58.100 0.016 0.000 1.151 211 Y CB -0.154 38.323 38.460 0.029 0.000 1.201 211 Y HN 0.064 nan 8.280 nan 0.000 0.556 212 N N 0.591 119.349 118.700 0.096 0.000 2.272 212 N HA -0.181 4.559 4.740 -0.000 0.000 0.185 212 N C 0.881 176.488 175.510 0.161 0.000 1.014 212 N CA 1.334 54.470 53.050 0.144 0.000 0.870 212 N CB 0.085 38.616 38.487 0.073 0.000 0.975 212 N HN 0.344 nan 8.380 nan 0.000 0.433 213 D N -0.098 120.354 120.400 0.086 0.000 2.312 213 D HA -0.046 4.594 4.640 -0.000 0.000 0.211 213 D C 0.573 176.910 176.300 0.063 0.000 0.964 213 D CA 1.035 55.059 54.000 0.041 0.000 0.877 213 D CB 0.077 40.884 40.800 0.011 0.000 0.924 213 D HN 0.339 nan 8.370 nan 0.000 0.515 214 T N -2.088 112.537 114.554 0.119 0.000 3.418 214 T HA 0.325 4.675 4.350 -0.000 0.000 0.315 214 T C -2.336 172.445 174.700 0.136 0.000 1.447 214 T CA -1.648 60.521 62.100 0.114 0.000 1.641 214 T CB 1.858 70.798 68.868 0.120 0.000 0.904 214 T HN -0.300 nan 8.240 nan 0.000 0.640 215 P HA -0.181 nan 4.420 nan 0.000 0.218 215 P C 1.329 178.694 177.300 0.107 0.000 1.154 215 P CA 1.382 64.575 63.100 0.155 0.000 0.872 215 P CB 0.132 31.945 31.700 0.189 0.000 0.790 216 E N -0.892 119.355 120.200 0.079 0.000 2.478 216 E HA -0.110 4.240 4.350 -0.000 0.000 0.198 216 E C 1.282 177.883 176.600 0.002 0.000 1.046 216 E CA 0.667 57.094 56.400 0.044 0.000 0.870 216 E CB -0.203 29.518 29.700 0.036 0.000 0.818 216 E HN 0.396 nan 8.360 nan 0.000 0.527 217 K N -0.371 120.019 120.400 -0.016 0.000 2.358 217 K HA 0.222 4.541 4.320 -0.000 0.000 0.200 217 K C 1.684 178.112 176.600 -0.287 0.000 1.030 217 K CA 0.205 56.420 56.287 -0.121 0.000 1.097 217 K CB 0.785 33.223 32.500 -0.103 0.000 0.862 217 K HN -0.029 nan 8.250 nan 0.000 0.534 218 A N 1.328 124.069 122.820 -0.133 0.000 1.858 218 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 218 A C 1.417 178.930 177.584 -0.119 0.000 1.190 218 A CA 1.256 53.229 52.037 -0.107 0.000 0.617 218 A CB -0.193 18.869 19.000 0.104 0.000 0.827 218 A HN 0.168 nan 8.150 nan 0.000 0.443 219 S N 0.706 116.379 115.700 -0.045 0.000 2.422 219 S HA 0.393 4.863 4.470 -0.000 0.000 0.283 219 S C 0.308 174.863 174.600 -0.074 0.000 1.163 219 S CA -0.609 57.581 58.200 -0.017 0.000 1.054 219 S CB -0.197 63.021 63.200 0.031 0.000 0.967 219 S HN 0.477 nan 8.310 nan 0.000 0.499 220 R N 2.932 123.379 120.500 -0.089 0.000 2.674 220 R HA 0.207 4.547 4.340 -0.000 0.000 0.270 220 R C -0.683 175.571 176.300 -0.078 0.000 1.492 220 R CA -0.642 55.403 56.100 -0.092 0.000 1.624 220 R CB -0.826 29.391 30.300 -0.139 0.000 1.307 220 R HN 0.416 nan 8.270 nan 0.000 0.683 221 T N 2.120 116.587 114.554 -0.144 0.000 2.891 221 T HA -0.099 4.251 4.350 -0.000 0.000 0.296 221 T C -0.012 174.528 174.700 -0.267 0.000 1.025 221 T CA 0.938 62.838 62.100 -0.333 0.000 1.149 221 T CB -0.113 68.418 68.868 -0.562 0.000 1.007 221 T HN 0.546 nan 8.240 nan 0.000 0.528 222 Y N -1.394 118.923 120.300 0.028 0.000 4.897 222 Y HA -0.213 4.337 4.550 -0.000 0.000 0.263 222 Y C 0.719 176.641 175.900 0.036 0.000 0.945 222 Y CA 0.513 58.630 58.100 0.028 0.000 1.858 222 Y CB -2.287 36.184 38.460 0.019 0.000 1.296 222 Y HN 0.780 nan 8.280 nan 0.000 0.490 223 D N 0.419 120.905 120.400 0.144 0.000 2.350 223 D HA 0.575 5.215 4.640 -0.000 0.000 0.249 223 D C 1.259 177.644 176.300 0.141 0.000 1.119 223 D CA 0.752 54.831 54.000 0.133 0.000 0.886 223 D CB 1.314 42.168 40.800 0.090 0.000 1.195 223 D HN 0.254 nan 8.370 nan 0.000 0.437 224 A N 3.183 126.099 122.820 0.160 0.000 2.076 224 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 224 A C 1.106 178.663 177.584 -0.047 0.000 1.160 224 A CA 1.399 53.475 52.037 0.066 0.000 0.653 224 A CB -0.553 18.478 19.000 0.051 0.000 0.801 224 A HN 0.750 nan 8.150 nan 0.000 0.455 225 H N -0.456 118.670 119.070 0.094 0.000 2.487 225 H HA 0.183 4.739 4.556 -0.000 0.000 0.290 225 H C 0.618 176.054 175.328 0.179 0.000 1.081 225 H CA -0.170 55.963 56.048 0.142 0.000 1.116 225 H CB -0.023 29.852 29.762 0.188 0.000 1.560 225 H HN 0.624 nan 8.280 nan 0.000 0.548 226 R N 1.380 121.989 120.500 0.182 0.000 2.734 226 R HA 0.051 4.391 4.340 -0.000 0.000 0.266 226 R C -0.503 175.904 176.300 0.178 0.000 1.044 226 R CA 0.357 56.543 56.100 0.144 0.000 1.128 226 R CB 0.474 30.820 30.300 0.077 0.000 1.010 226 R HN 0.214 nan 8.270 nan 0.000 0.461 227 D N 0.453 120.973 120.400 0.200 0.000 2.865 227 D HA 0.231 4.871 4.640 -0.000 0.000 0.347 227 D C -0.022 176.356 176.300 0.130 0.000 1.498 227 D CA 0.030 54.130 54.000 0.167 0.000 0.787 227 D CB 0.361 41.273 40.800 0.187 0.000 1.190 227 D HN 0.928 nan 8.370 nan 0.000 0.445 228 G N 0.423 109.302 108.800 0.132 0.000 2.459 228 G HA2 0.220 4.180 3.960 -0.000 0.000 0.685 228 G HA3 0.220 4.180 3.960 -0.000 0.000 0.685 228 G C -0.613 174.377 174.900 0.151 0.000 1.303 228 G CA -0.695 44.478 45.100 0.122 0.000 0.907 228 G HN 0.345 nan 8.290 nan 0.000 0.632 229 F N -0.506 119.520 119.950 0.126 0.000 2.370 229 F HA 0.824 5.351 4.527 -0.000 0.000 0.319 229 F C 0.241 176.106 175.800 0.109 0.000 1.129 229 F CA -1.468 56.599 58.000 0.111 0.000 1.109 229 F CB 1.312 40.406 39.000 0.156 0.000 1.262 229 F HN 0.409 nan 8.300 nan 0.000 0.534 230 V N 4.197 124.325 119.914 0.358 0.000 2.370 230 V HA 0.261 4.381 4.120 -0.000 0.000 0.283 230 V C 0.240 176.573 176.094 0.398 0.000 1.023 230 V CA -0.865 61.577 62.300 0.237 0.000 0.857 230 V CB 1.107 33.046 31.823 0.193 0.000 0.985 230 V HN 0.854 nan 8.190 nan 0.000 0.443 231 I N 4.634 125.383 120.570 0.298 0.000 2.692 231 I HA 0.513 4.683 4.170 -0.000 0.000 0.284 231 I C 0.498 176.756 176.117 0.234 0.000 1.159 231 I CA 0.513 62.004 61.300 0.318 0.000 1.423 231 I CB 0.865 38.990 38.000 0.208 0.000 1.380 231 I HN 0.808 nan 8.210 nan 0.000 0.580 232 A N 4.853 127.755 122.820 0.137 0.000 2.569 232 A HA 0.897 5.217 4.320 -0.000 0.000 0.290 232 A C -0.631 176.943 177.584 -0.018 0.000 1.136 232 A CA -0.150 51.914 52.037 0.045 0.000 0.710 232 A CB 1.380 20.414 19.000 0.056 0.000 1.303 232 A HN 0.823 nan 8.150 nan 0.000 0.413 233 G N -1.874 106.868 108.800 -0.097 0.000 2.658 233 G HA2 0.910 4.870 3.960 -0.000 0.000 0.292 233 G HA3 0.910 4.870 3.960 -0.000 0.000 0.292 233 G C -0.112 174.667 174.900 -0.201 0.000 1.320 233 G CA -0.188 44.867 45.100 -0.074 0.000 0.933 233 G HN 2.254 nan 8.290 nan 0.000 0.476 234 G N -1.974 106.703 108.800 -0.204 0.000 2.350 234 G HA2 0.641 4.601 3.960 -0.000 0.000 0.282 234 G HA3 0.641 4.601 3.960 -0.000 0.000 0.282 234 G C -0.365 174.500 174.900 -0.058 0.000 1.314 234 G CA 0.254 45.093 45.100 -0.434 0.000 0.915 234 G HN 1.999 nan 8.290 nan 0.000 0.499 235 G N -1.931 106.836 108.800 -0.056 0.000 2.660 235 G HA2 1.000 4.960 3.960 -0.000 0.000 0.290 235 G HA3 1.000 4.960 3.960 -0.000 0.000 0.290 235 G C -0.397 174.492 174.900 -0.019 0.000 1.432 235 G CA 0.418 45.545 45.100 0.045 0.000 0.807 235 G HN 2.115 nan 8.290 nan 0.000 0.485 236 G N -1.356 107.430 108.800 -0.024 0.000 2.673 236 G HA2 0.686 4.646 3.960 -0.000 0.000 0.292 236 G HA3 0.686 4.646 3.960 -0.000 0.000 0.292 236 G C -1.725 173.136 174.900 -0.065 0.000 1.450 236 G CA -0.579 44.480 45.100 -0.069 0.000 0.837 236 G HN 1.039 nan 8.290 nan 0.000 0.505 237 M N 0.805 120.355 119.600 -0.084 0.000 2.365 237 M HA 0.646 5.126 4.480 -0.000 0.000 0.288 237 M C -1.105 175.146 176.300 -0.082 0.000 1.152 237 M CA -0.686 54.569 55.300 -0.075 0.000 0.948 237 M CB 2.221 34.767 32.600 -0.089 0.000 1.729 237 M HN 1.251 nan 8.290 nan 0.000 0.487 238 V N 1.627 121.495 119.914 -0.076 0.000 2.914 238 V HA 0.915 5.035 4.120 -0.000 0.000 0.314 238 V C -1.174 174.866 176.094 -0.090 0.000 1.084 238 V CA -0.922 61.319 62.300 -0.099 0.000 0.963 238 V CB 1.886 33.624 31.823 -0.141 0.000 1.025 238 V HN 0.618 nan 8.190 nan 0.000 0.432 239 V N 3.536 123.381 119.914 -0.116 0.000 2.334 239 V HA 0.363 4.483 4.120 -0.000 0.000 0.267 239 V C 0.144 176.101 176.094 -0.229 0.000 1.040 239 V CA -0.357 61.795 62.300 -0.246 0.000 0.866 239 V CB 1.017 32.714 31.823 -0.210 0.000 1.019 239 V HN 0.727 nan 8.190 nan 0.000 0.468 240 V N 5.146 124.895 119.914 -0.274 0.000 2.406 240 V HA 0.464 4.584 4.120 -0.000 0.000 0.272 240 V C 0.098 176.052 176.094 -0.233 0.000 1.043 240 V CA -0.250 61.925 62.300 -0.207 0.000 0.915 240 V CB 1.304 33.015 31.823 -0.186 0.000 0.988 240 V HN 0.967 nan 8.190 nan 0.000 0.466 241 E N 2.731 122.831 120.200 -0.167 0.000 2.340 241 E HA 0.335 4.685 4.350 -0.000 0.000 0.273 241 E C -0.854 175.689 176.600 -0.094 0.000 0.891 241 E CA -0.758 55.546 56.400 -0.160 0.000 0.757 241 E CB 1.892 31.515 29.700 -0.130 0.000 1.231 241 E HN 0.684 nan 8.360 nan 0.000 0.439 242 E N 3.575 123.723 120.200 -0.087 0.000 2.384 242 E HA -0.027 4.323 4.350 -0.000 0.000 0.266 242 E C 0.835 177.444 176.600 0.015 0.000 1.012 242 E CA -0.105 56.276 56.400 -0.031 0.000 0.901 242 E CB 1.125 30.812 29.700 -0.021 0.000 0.967 242 E HN 0.613 nan 8.360 nan 0.000 0.435 243 L N 5.636 126.862 121.223 0.005 0.000 1.978 243 L HA -0.251 4.089 4.340 -0.000 0.000 0.218 243 L C 1.890 178.773 176.870 0.022 0.000 1.075 243 L CA 2.020 56.864 54.840 0.007 0.000 0.767 243 L CB -0.460 41.597 42.059 -0.002 0.000 0.890 243 L HN 0.562 nan 8.230 nan 0.000 0.434 244 E N -1.113 119.105 120.200 0.029 0.000 2.118 244 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 244 E C 2.225 178.844 176.600 0.032 0.000 0.992 244 E CA 1.336 57.750 56.400 0.023 0.000 0.804 244 E CB -0.667 29.045 29.700 0.021 0.000 0.741 244 E HN 0.681 nan 8.360 nan 0.000 0.458 245 H N 0.454 119.510 119.070 -0.024 0.000 2.357 245 H HA 0.013 4.569 4.556 -0.000 0.000 0.301 245 H C 1.832 177.145 175.328 -0.026 0.000 1.082 245 H CA 1.648 57.682 56.048 -0.024 0.000 1.342 245 H CB 0.211 29.955 29.762 -0.030 0.000 1.389 245 H HN 0.124 nan 8.280 nan 0.000 0.511 246 A N 1.144 124.039 122.820 0.125 0.000 1.873 246 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 246 A C 2.861 180.443 177.584 -0.004 0.000 1.186 246 A CA 1.177 53.251 52.037 0.062 0.000 0.616 246 A CB -0.837 18.181 19.000 0.030 0.000 0.823 246 A HN 0.404 nan 8.150 nan 0.000 0.442 247 L N -0.708 120.508 121.223 -0.013 0.000 2.083 247 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 247 L C 3.057 179.901 176.870 -0.043 0.000 1.083 247 L CA 0.987 55.812 54.840 -0.026 0.000 0.752 247 L CB -0.584 41.463 42.059 -0.021 0.000 0.899 247 L HN 0.426 nan 8.230 nan 0.000 0.433 248 A N 1.087 123.866 122.820 -0.069 0.000 1.978 248 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 248 A C 2.231 179.755 177.584 -0.100 0.000 1.170 248 A CA 1.819 53.798 52.037 -0.096 0.000 0.636 248 A CB -0.523 18.388 19.000 -0.147 0.000 0.810 248 A HN 0.598 nan 8.150 nan 0.000 0.448 249 R N -1.381 119.057 120.500 -0.105 0.000 2.393 249 R HA 0.368 4.707 4.340 -0.000 0.000 0.244 249 R C 0.895 177.177 176.300 -0.030 0.000 0.920 249 R CA 0.552 56.609 56.100 -0.072 0.000 1.076 249 R CB -0.636 29.619 30.300 -0.075 0.000 1.119 249 R HN 0.715 nan 8.270 nan 0.000 0.524 250 G N 0.972 109.756 108.800 -0.027 0.000 2.295 250 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.287 250 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.287 250 G C 0.287 175.189 174.900 0.003 0.000 1.055 250 G CA 0.189 45.282 45.100 -0.012 0.000 0.922 250 G HN 0.710 nan 8.290 nan 0.000 0.503 251 A N -0.309 122.513 122.820 0.004 0.000 2.366 251 A HA 0.580 4.900 4.320 -0.000 0.000 0.249 251 A C 0.432 178.028 177.584 0.020 0.000 1.084 251 A CA 0.354 52.403 52.037 0.020 0.000 0.794 251 A CB 0.320 19.330 19.000 0.017 0.000 1.034 251 A HN 1.483 nan 8.150 nan 0.000 0.491 252 H N 0.888 119.915 119.070 -0.072 0.000 2.652 252 H HA 0.532 5.087 4.556 -0.000 0.000 0.298 252 H C -0.777 174.454 175.328 -0.162 0.000 1.076 252 H CA -0.466 55.495 56.048 -0.145 0.000 1.360 252 H CB 0.053 29.694 29.762 -0.203 0.000 1.421 252 H HN 0.413 nan 8.280 nan 0.000 0.464 253 I N 7.018 127.244 120.570 -0.573 0.000 2.321 253 I HA 0.031 4.201 4.170 -0.000 0.000 0.291 253 I C 0.095 175.859 176.117 -0.588 0.000 0.998 253 I CA -0.478 60.563 61.300 -0.431 0.000 1.227 253 I CB 0.938 38.823 38.000 -0.193 0.000 1.368 253 I HN 0.743 nan 8.210 nan 0.000 0.466 254 Y N 5.156 125.211 120.300 -0.408 0.000 2.184 254 Y HA 0.207 4.757 4.550 -0.000 0.000 0.290 254 Y C 1.250 177.059 175.900 -0.151 0.000 1.129 254 Y CA 1.043 58.986 58.100 -0.261 0.000 1.144 254 Y CB 0.156 38.533 38.460 -0.140 0.000 0.995 254 Y HN 0.676 nan 8.280 nan 0.000 0.513 255 A N -0.860 121.989 122.820 0.047 0.000 2.544 255 A HA 0.381 4.700 4.320 -0.000 0.000 0.291 255 A C -1.495 176.085 177.584 -0.006 0.000 1.055 255 A CA -0.844 51.199 52.037 0.010 0.000 0.651 255 A CB 0.582 19.598 19.000 0.027 0.000 1.296 255 A HN 0.067 nan 8.150 nan 0.000 0.431 256 E N 0.365 120.559 120.200 -0.010 0.000 2.204 256 E HA 0.607 4.957 4.350 -0.000 0.000 0.276 256 E C -1.104 175.491 176.600 -0.008 0.000 0.974 256 E CA -0.602 55.790 56.400 -0.013 0.000 0.815 256 E CB 0.866 30.560 29.700 -0.011 0.000 1.119 256 E HN 0.479 nan 8.360 nan 0.000 0.393 257 I N 5.717 126.278 120.570 -0.014 0.000 2.281 257 I HA 0.035 4.205 4.170 -0.000 0.000 0.293 257 I C 1.072 177.198 176.117 0.014 0.000 1.085 257 I CA -0.307 60.989 61.300 -0.007 0.000 1.257 257 I CB 0.876 38.859 38.000 -0.029 0.000 1.430 257 I HN 0.490 nan 8.210 nan 0.000 0.489 258 V N 2.590 122.519 119.914 0.025 0.000 3.650 258 V HA 0.465 4.585 4.120 -0.000 0.000 0.271 258 V C 0.757 176.882 176.094 0.053 0.000 1.281 258 V CA 0.208 62.526 62.300 0.031 0.000 1.120 258 V CB -0.124 31.712 31.823 0.021 0.000 0.856 258 V HN 0.696 nan 8.190 nan 0.000 0.443 259 G N -0.492 108.351 108.800 0.073 0.000 2.753 259 G HA2 0.541 4.501 3.960 -0.000 0.000 0.297 259 G HA3 0.541 4.501 3.960 -0.000 0.000 0.297 259 G C -2.277 172.729 174.900 0.176 0.000 1.430 259 G CA -0.565 44.598 45.100 0.104 0.000 1.040 259 G HN 0.292 nan 8.290 nan 0.000 0.530 260 Y N 1.510 121.825 120.300 0.026 0.000 2.307 260 Y HA 0.664 5.213 4.550 -0.000 0.000 0.323 260 Y C -0.125 175.800 175.900 0.041 0.000 1.100 260 Y CA -1.339 56.776 58.100 0.026 0.000 1.140 260 Y CB 1.596 40.072 38.460 0.027 0.000 1.159 260 Y HN 0.811 nan 8.280 nan 0.000 0.436 261 G N 3.158 111.883 108.800 -0.126 0.000 2.388 261 G HA2 0.738 4.698 3.960 -0.000 0.000 0.330 261 G HA3 0.738 4.698 3.960 -0.000 0.000 0.330 261 G C -1.586 173.137 174.900 -0.295 0.000 1.142 261 G CA -0.586 44.371 45.100 -0.237 0.000 0.908 261 G HN 1.117 nan 8.290 nan 0.000 0.473 262 A N 1.667 124.318 122.820 -0.282 0.000 2.476 262 A HA 0.840 5.160 4.320 -0.000 0.000 0.280 262 A C 0.011 177.591 177.584 -0.006 0.000 1.081 262 A CA -0.115 51.894 52.037 -0.046 0.000 0.753 262 A CB 1.221 20.189 19.000 -0.054 0.000 1.248 262 A HN 1.484 nan 8.150 nan 0.000 0.424 263 T N -1.412 113.179 114.554 0.062 0.000 2.742 263 T HA 0.866 5.216 4.350 -0.000 0.000 0.282 263 T C -0.220 174.505 174.700 0.042 0.000 1.025 263 T CA -0.551 61.560 62.100 0.018 0.000 1.020 263 T CB 1.767 70.624 68.868 -0.018 0.000 1.317 263 T HN 1.236 nan 8.240 nan 0.000 0.538 264 S N -1.060 114.644 115.700 0.007 0.000 2.536 264 S HA 0.452 4.921 4.470 -0.000 0.000 0.287 264 S C -0.150 174.443 174.600 -0.012 0.000 1.101 264 S CA -0.640 57.567 58.200 0.011 0.000 0.950 264 S CB 1.618 64.822 63.200 0.007 0.000 1.056 264 S HN 0.701 nan 8.310 nan 0.000 0.481 265 D N 2.555 122.948 120.400 -0.010 0.000 2.137 265 D HA 0.133 4.773 4.640 -0.000 0.000 0.202 265 D C 1.444 177.735 176.300 -0.015 0.000 0.970 265 D CA 1.393 55.377 54.000 -0.026 0.000 0.837 265 D CB -0.526 40.260 40.800 -0.025 0.000 0.981 265 D HN 1.029 nan 8.370 nan 0.000 0.475 266 G N 0.726 109.526 108.800 -0.001 0.000 2.305 266 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.287 266 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.287 266 G C 0.105 175.005 174.900 0.000 0.000 1.036 266 G CA 0.674 45.774 45.100 0.000 0.000 0.887 266 G HN 0.734 nan 8.290 nan 0.000 0.505 267 A N -0.333 122.490 122.820 0.005 0.000 2.560 267 A HA 0.611 4.931 4.320 -0.000 0.000 0.300 267 A C -0.095 177.498 177.584 0.014 0.000 1.062 267 A CA 0.605 52.646 52.037 0.006 0.000 0.767 267 A CB 0.963 19.961 19.000 -0.004 0.000 1.288 267 A HN 1.644 nan 8.150 nan 0.000 0.396 268 D N 1.363 121.776 120.400 0.021 0.000 4.478 268 D HA -0.159 4.481 4.640 -0.000 0.000 0.238 268 D C 0.878 177.207 176.300 0.048 0.000 1.056 268 D CA 1.115 55.135 54.000 0.032 0.000 1.245 268 D CB -0.181 40.636 40.800 0.029 0.000 0.794 268 D HN 0.918 nan 8.370 nan 0.000 0.394 269 M N 3.934 123.567 119.600 0.055 0.000 3.424 269 M HA -0.252 4.228 4.480 -0.000 0.000 0.284 269 M C 1.456 177.823 176.300 0.112 0.000 1.045 269 M CA 2.658 58.002 55.300 0.074 0.000 1.057 269 M CB -0.617 32.023 32.600 0.067 0.000 1.202 269 M HN 0.438 nan 8.290 nan 0.000 0.584 270 V N -1.217 118.778 119.914 0.135 0.000 2.224 270 V HA 0.731 4.851 4.120 -0.000 0.000 0.289 270 V C -0.346 175.861 176.094 0.188 0.000 1.518 270 V CA -0.094 62.336 62.300 0.217 0.000 1.533 270 V CB -1.590 30.379 31.823 0.243 0.000 1.460 270 V HN 0.646 nan 8.190 nan 0.000 0.515 271 A N 2.996 125.888 122.820 0.120 0.000 2.522 271 A HA 0.697 5.017 4.320 -0.000 0.000 0.290 271 A C -3.125 174.477 177.584 0.029 0.000 1.047 271 A CA -0.941 51.143 52.037 0.078 0.000 0.935 271 A CB 0.960 20.003 19.000 0.072 0.000 1.451 271 A HN 0.440 nan 8.150 nan 0.000 0.398 272 P HA 0.056 nan 4.420 nan 0.000 0.261 272 P C 1.123 178.396 177.300 -0.044 0.000 1.183 272 P CA 0.700 63.773 63.100 -0.045 0.000 0.761 272 P CB 0.940 32.600 31.700 -0.067 0.000 0.785 273 S N 2.370 118.033 115.700 -0.060 0.000 2.528 273 S HA 0.134 4.604 4.470 -0.000 0.000 0.219 273 S C 1.787 176.341 174.600 -0.077 0.000 0.985 273 S CA 0.556 58.725 58.200 -0.052 0.000 0.914 273 S CB -0.792 62.380 63.200 -0.046 0.000 0.776 273 S HN 0.660 nan 8.310 nan 0.000 0.526 274 G N 1.882 110.604 108.800 -0.129 0.000 2.435 274 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.245 274 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.245 274 G C 0.928 175.733 174.900 -0.159 0.000 1.073 274 G CA 0.629 45.636 45.100 -0.155 0.000 0.638 274 G HN 0.498 nan 8.290 nan 0.000 0.521 275 E N 1.503 121.633 120.200 -0.117 0.000 2.077 275 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 275 E C 2.672 179.196 176.600 -0.126 0.000 0.989 275 E CA 2.112 58.452 56.400 -0.100 0.000 0.800 275 E CB -0.957 28.701 29.700 -0.070 0.000 0.746 275 E HN 0.614 nan 8.360 nan 0.000 0.452 276 G N 0.784 109.495 108.800 -0.147 0.000 2.422 276 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 276 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 276 G C 1.741 176.501 174.900 -0.233 0.000 1.146 276 G CA 1.286 46.294 45.100 -0.153 0.000 0.769 276 G HN 0.422 nan 8.290 nan 0.000 0.547 277 A N 0.183 122.754 122.820 -0.415 0.000 1.933 277 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 277 A C 2.601 180.026 177.584 -0.266 0.000 1.175 277 A CA 1.790 53.425 52.037 -0.671 0.000 0.628 277 A CB -0.582 17.764 19.000 -1.090 0.000 0.814 277 A HN 0.251 nan 8.150 nan 0.000 0.444 278 V N -0.009 119.794 119.914 -0.184 0.000 2.295 278 V HA -0.279 3.840 4.120 -0.000 0.000 0.246 278 V C 2.639 178.680 176.094 -0.089 0.000 1.049 278 V CA 2.306 64.543 62.300 -0.105 0.000 1.024 278 V CB -0.800 30.968 31.823 -0.091 0.000 0.648 278 V HN 0.531 nan 8.190 nan 0.000 0.447 279 R N -1.075 119.369 120.500 -0.092 0.000 2.092 279 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 279 R C 2.400 178.664 176.300 -0.059 0.000 1.119 279 R CA 1.609 57.663 56.100 -0.076 0.000 0.970 279 R CB -0.836 29.419 30.300 -0.075 0.000 0.864 279 R HN 0.577 nan 8.270 nan 0.000 0.440 280 C N 0.768 120.042 119.300 -0.043 0.000 2.432 280 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 280 C C 2.598 177.610 174.990 0.037 0.000 1.249 280 C CA 0.832 59.857 59.018 0.012 0.000 1.725 280 C CB -0.658 27.139 27.740 0.094 0.000 2.028 280 C HN 0.457 nan 8.230 nan 0.000 0.477 281 M N 0.154 119.788 119.600 0.057 0.000 2.117 281 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 281 M C 2.281 178.563 176.300 -0.029 0.000 1.065 281 M CA 1.788 57.118 55.300 0.051 0.000 1.114 281 M CB -0.460 32.180 32.600 0.068 0.000 1.361 281 M HN 0.387 nan 8.290 nan 0.000 0.408 282 K N 0.012 120.372 120.400 -0.065 0.000 2.097 282 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 282 K C 2.002 178.589 176.600 -0.021 0.000 1.049 282 K CA 1.348 57.591 56.287 -0.073 0.000 0.933 282 K CB -0.215 32.236 32.500 -0.082 0.000 0.717 282 K HN 0.352 nan 8.250 nan 0.000 0.442 283 M N 0.582 120.163 119.600 -0.031 0.000 2.086 283 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 283 M C 2.114 178.426 176.300 0.019 0.000 1.067 283 M CA 1.792 57.074 55.300 -0.030 0.000 1.116 283 M CB -0.103 32.453 32.600 -0.074 0.000 1.348 283 M HN 0.168 nan 8.290 nan 0.000 0.407 284 A N 0.019 122.850 122.820 0.017 0.000 2.015 284 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 284 A C 1.926 179.545 177.584 0.058 0.000 1.163 284 A CA 1.491 53.557 52.037 0.049 0.000 0.646 284 A CB -0.593 18.445 19.000 0.064 0.000 0.806 284 A HN 0.653 nan 8.150 nan 0.000 0.448 285 M N -1.520 118.104 119.600 0.041 0.000 2.541 285 M HA 0.055 4.535 4.480 -0.000 0.000 0.252 285 M C 0.563 176.884 176.300 0.036 0.000 1.125 285 M CA 0.019 55.335 55.300 0.026 0.000 1.091 285 M CB -0.039 32.543 32.600 -0.030 0.000 1.420 285 M HN 0.500 nan 8.290 nan 0.000 0.486 286 H N 0.512 119.565 119.070 -0.029 0.000 3.091 286 H HA 0.215 4.770 4.556 -0.000 0.000 0.289 286 H C 1.021 176.342 175.328 -0.011 0.000 0.995 286 H CA 1.697 57.730 56.048 -0.026 0.000 1.461 286 H CB 0.079 29.823 29.762 -0.029 0.000 1.510 286 H HN 0.451 nan 8.280 nan 0.000 0.546 287 G N 3.034 111.609 108.800 -0.374 0.000 2.279 287 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.223 287 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.223 287 G C -0.022 174.811 174.900 -0.111 0.000 1.015 287 G CA -0.019 44.933 45.100 -0.247 0.000 0.621 287 G HN 0.676 nan 8.290 nan 0.000 0.506 288 V N 3.307 123.183 119.914 -0.063 0.000 2.403 288 V HA 0.328 4.448 4.120 -0.000 0.000 0.265 288 V C 1.244 177.323 176.094 -0.026 0.000 1.034 288 V CA 0.844 63.130 62.300 -0.024 0.000 1.036 288 V CB 0.967 32.794 31.823 0.007 0.000 1.032 288 V HN 0.570 nan 8.190 nan 0.000 0.478 289 D N 2.353 122.739 120.400 -0.024 0.000 2.349 289 D HA -0.017 4.623 4.640 -0.000 0.000 0.224 289 D C 0.822 177.122 176.300 -0.001 0.000 1.029 289 D CA 0.215 54.204 54.000 -0.019 0.000 0.879 289 D CB -0.133 40.654 40.800 -0.022 0.000 0.906 289 D HN 0.618 nan 8.370 nan 0.000 0.528 290 T N -2.614 111.946 114.554 0.010 0.000 2.912 290 T HA 0.591 4.940 4.350 -0.000 0.000 0.288 290 T C -2.729 171.997 174.700 0.043 0.000 1.030 290 T CA -1.902 60.211 62.100 0.023 0.000 1.020 290 T CB 2.325 71.205 68.868 0.021 0.000 1.056 290 T HN -0.165 nan 8.240 nan 0.000 0.480 291 P HA 0.355 nan 4.420 nan 0.000 0.277 291 P C -0.475 176.874 177.300 0.080 0.000 1.240 291 P CA -0.716 62.434 63.100 0.083 0.000 0.798 291 P CB 0.609 32.349 31.700 0.067 0.000 0.979 292 I N 2.910 123.549 120.570 0.117 0.000 2.436 292 I HA 0.017 4.187 4.170 -0.000 0.000 0.289 292 I C 1.269 177.381 176.117 -0.009 0.000 1.083 292 I CA 0.343 61.680 61.300 0.061 0.000 1.372 292 I CB -0.068 37.979 38.000 0.079 0.000 1.408 292 I HN 0.319 nan 8.210 nan 0.000 0.516 293 D N 5.083 125.494 120.400 0.018 0.000 2.249 293 D HA -0.069 4.570 4.640 -0.000 0.000 0.205 293 D C 0.018 176.361 176.300 0.072 0.000 0.962 293 D CA 1.236 55.254 54.000 0.029 0.000 0.860 293 D CB 0.413 41.240 40.800 0.045 0.000 0.955 293 D HN 0.543 nan 8.370 nan 0.000 0.505 294 Y N 0.200 120.452 120.300 -0.080 0.000 2.482 294 Y HA 0.439 4.989 4.550 -0.000 0.000 0.334 294 Y C -2.164 173.683 175.900 -0.089 0.000 1.091 294 Y CA -1.130 56.914 58.100 -0.093 0.000 1.027 294 Y CB 1.227 39.632 38.460 -0.091 0.000 1.306 294 Y HN -0.226 nan 8.280 nan 0.000 0.446 295 L N 6.947 127.525 121.223 -1.075 0.000 2.376 295 L HA 0.522 4.862 4.340 -0.000 0.000 0.275 295 L C -1.312 174.922 176.870 -1.059 0.000 0.987 295 L CA -0.570 53.772 54.840 -0.830 0.000 0.828 295 L CB 1.131 42.923 42.059 -0.445 0.000 1.249 295 L HN 0.815 nan 8.230 nan 0.000 0.409 296 N N 3.560 121.830 118.700 -0.717 0.000 2.462 296 N HA 0.166 4.906 4.740 -0.000 0.000 0.242 296 N C -0.439 174.950 175.510 -0.202 0.000 1.010 296 N CA -0.192 52.669 53.050 -0.315 0.000 0.939 296 N CB 1.170 39.643 38.487 -0.023 0.000 1.127 296 N HN 0.740 nan 8.380 nan 0.000 0.509 297 S N 2.714 118.335 115.700 -0.131 0.000 2.624 297 S HA 0.022 4.492 4.470 -0.000 0.000 0.263 297 S C 1.280 175.787 174.600 -0.155 0.000 1.287 297 S CA -0.362 57.779 58.200 -0.098 0.000 0.990 297 S CB 1.564 64.803 63.200 0.065 0.000 0.950 297 S HN 0.644 nan 8.310 nan 0.000 0.561 298 Q N 1.867 121.538 119.800 -0.216 0.000 2.050 298 Q HA 0.088 4.427 4.340 -0.000 0.000 0.202 298 Q C 1.399 177.261 176.000 -0.229 0.000 0.980 298 Q CA 1.740 57.374 55.803 -0.281 0.000 0.840 298 Q CB -1.423 27.150 28.738 -0.274 0.000 0.898 298 Q HN 1.426 nan 8.270 nan 0.000 0.424 299 G N 0.729 109.434 108.800 -0.158 0.000 2.216 299 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.263 299 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.263 299 G C 0.429 175.168 174.900 -0.269 0.000 0.837 299 G CA 0.670 45.607 45.100 -0.272 0.000 1.227 299 G HN 0.491 nan 8.290 nan 0.000 0.407 300 T N -0.530 113.895 114.554 -0.215 0.000 2.915 300 T HA 0.098 4.448 4.350 -0.000 0.000 0.269 300 T C 1.649 176.342 174.700 -0.011 0.000 1.071 300 T CA 1.582 63.581 62.100 -0.170 0.000 1.132 300 T CB 0.001 68.796 68.868 -0.121 0.000 0.878 300 T HN 1.739 nan 8.240 nan 0.000 0.479 301 S N 0.877 116.543 115.700 -0.057 0.000 3.536 301 S HA -0.125 4.344 4.470 -0.000 0.000 0.281 301 S C 0.189 174.837 174.600 0.081 0.000 1.248 301 S CA 0.494 58.683 58.200 -0.018 0.000 0.809 301 S CB -1.989 61.221 63.200 0.017 0.000 0.997 301 S HN 0.897 nan 8.310 nan 0.000 0.641 302 T N -0.969 113.641 114.554 0.094 0.000 2.895 302 T HA 0.696 5.046 4.350 -0.000 0.000 0.283 302 T C -1.513 173.246 174.700 0.099 0.000 1.014 302 T CA -1.600 60.582 62.100 0.138 0.000 1.037 302 T CB 1.644 70.627 68.868 0.191 0.000 1.006 302 T HN -0.056 nan 8.240 nan 0.000 0.468 303 P HA -0.136 nan 4.420 nan 0.000 0.212 303 P C 1.680 179.027 177.300 0.078 0.000 1.178 303 P CA 0.779 63.928 63.100 0.081 0.000 0.915 303 P CB -0.085 31.660 31.700 0.075 0.000 0.788 304 V N -0.576 119.386 119.914 0.080 0.000 2.488 304 V HA -0.083 4.037 4.120 -0.000 0.000 0.246 304 V C 2.560 178.694 176.094 0.067 0.000 1.046 304 V CA 2.239 64.580 62.300 0.069 0.000 1.053 304 V CB -1.966 29.898 31.823 0.068 0.000 0.679 304 V HN 0.190 nan 8.190 nan 0.000 0.458 305 G N 0.394 109.237 108.800 0.071 0.000 2.480 305 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 305 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 305 G C 1.192 176.136 174.900 0.072 0.000 1.200 305 G CA 1.254 46.386 45.100 0.053 0.000 0.782 305 G HN 0.494 nan 8.290 nan 0.000 0.554 306 D N 0.043 120.490 120.400 0.079 0.000 2.149 306 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 306 D C 2.731 179.153 176.300 0.204 0.000 0.990 306 D CA 0.760 54.845 54.000 0.142 0.000 0.839 306 D CB -0.479 40.385 40.800 0.106 0.000 0.948 306 D HN 0.225 nan 8.370 nan 0.000 0.460 307 V N 1.188 121.182 119.914 0.134 0.000 2.270 307 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 307 V C 2.401 178.541 176.094 0.075 0.000 1.043 307 V CA 1.385 63.745 62.300 0.100 0.000 1.014 307 V CB -0.307 31.558 31.823 0.070 0.000 0.645 307 V HN 0.114 nan 8.190 nan 0.000 0.447 308 K N 0.123 120.558 120.400 0.059 0.000 2.044 308 K HA -0.257 4.063 4.320 -0.000 0.000 0.210 308 K C 2.132 178.753 176.600 0.035 0.000 1.049 308 K CA 2.036 58.339 56.287 0.028 0.000 0.927 308 K CB -0.439 32.063 32.500 0.004 0.000 0.713 308 K HN 0.685 nan 8.250 nan 0.000 0.443 309 E N 0.874 121.127 120.200 0.088 0.000 2.077 309 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 309 E C 2.186 178.862 176.600 0.127 0.000 0.989 309 E CA 0.798 57.285 56.400 0.145 0.000 0.800 309 E CB -0.056 29.796 29.700 0.254 0.000 0.746 309 E HN 0.174 nan 8.360 nan 0.000 0.452 310 L N 0.542 121.833 121.223 0.113 0.000 2.042 310 L HA -0.201 4.138 4.340 -0.000 0.000 0.210 310 L C 2.735 179.625 176.870 0.034 0.000 1.076 310 L CA 1.241 56.107 54.840 0.043 0.000 0.749 310 L CB -0.564 41.494 42.059 -0.001 0.000 0.893 310 L HN 0.256 nan 8.230 nan 0.000 0.432 311 A N -0.085 122.754 122.820 0.033 0.000 1.933 311 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 311 A C 2.531 180.127 177.584 0.021 0.000 1.175 311 A CA 1.767 53.815 52.037 0.020 0.000 0.628 311 A CB -0.693 18.314 19.000 0.011 0.000 0.814 311 A HN 0.416 nan 8.150 nan 0.000 0.444 312 A N 0.030 122.862 122.820 0.020 0.000 1.877 312 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 312 A C 2.115 179.739 177.584 0.066 0.000 1.186 312 A CA 1.492 53.534 52.037 0.009 0.000 0.620 312 A CB -0.611 18.366 19.000 -0.037 0.000 0.822 312 A HN 0.495 nan 8.150 nan 0.000 0.443 313 I N -1.076 119.567 120.570 0.122 0.000 2.226 313 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 313 I C 2.734 178.990 176.117 0.232 0.000 1.100 313 I CA 1.646 63.081 61.300 0.226 0.000 1.374 313 I CB -0.353 37.741 38.000 0.157 0.000 1.057 313 I HN 0.361 nan 8.210 nan 0.000 0.413 314 R N 0.892 121.461 120.500 0.114 0.000 2.096 314 R HA -0.215 4.124 4.340 -0.000 0.000 0.235 314 R C 2.228 178.574 176.300 0.077 0.000 1.127 314 R CA 1.624 57.777 56.100 0.088 0.000 0.968 314 R CB -0.114 30.208 30.300 0.037 0.000 0.861 314 R HN 0.387 nan 8.270 nan 0.000 0.440 315 E N -0.348 119.879 120.200 0.046 0.000 2.152 315 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 315 E C 1.761 178.347 176.600 -0.023 0.000 0.983 315 E CA 0.930 57.335 56.400 0.008 0.000 0.818 315 E CB 0.304 29.997 29.700 -0.012 0.000 0.758 315 E HN 0.184 nan 8.360 nan 0.000 0.467 316 V N 0.162 120.053 119.914 -0.039 0.000 2.283 316 V HA -0.187 3.933 4.120 -0.000 0.000 0.243 316 V C 1.736 177.631 176.094 -0.332 0.000 1.039 316 V CA 1.582 63.748 62.300 -0.223 0.000 1.016 316 V CB -0.436 31.173 31.823 -0.357 0.000 0.650 316 V HN 0.258 nan 8.190 nan 0.000 0.449 317 F N 0.059 120.005 119.950 -0.007 0.000 2.698 317 F HA 0.453 4.979 4.527 -0.000 0.000 0.295 317 F C 1.960 177.755 175.800 -0.009 0.000 1.124 317 F CA 0.650 58.645 58.000 -0.008 0.000 1.426 317 F CB -0.626 38.367 39.000 -0.012 0.000 1.120 317 F HN 0.266 nan 8.300 nan 0.000 0.583 318 G N 1.665 110.550 108.800 0.140 0.000 2.793 318 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.334 318 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.334 318 G C 1.114 176.062 174.900 0.079 0.000 1.186 318 G CA 1.026 46.173 45.100 0.079 0.000 0.960 318 G HN 0.393 nan 8.290 nan 0.000 0.562 319 D N 0.630 121.071 120.400 0.068 0.000 2.355 319 D HA 0.115 4.755 4.640 -0.000 0.000 0.206 319 D C 1.283 177.616 176.300 0.056 0.000 1.010 319 D CA 0.722 54.751 54.000 0.048 0.000 0.875 319 D CB 0.041 40.860 40.800 0.032 0.000 0.966 319 D HN 0.429 nan 8.370 nan 0.000 0.512 320 K N 1.641 122.098 120.400 0.095 0.000 3.001 320 K HA 0.182 4.502 4.320 -0.000 0.000 0.257 320 K C -0.182 176.482 176.600 0.106 0.000 1.290 320 K CA -0.276 56.069 56.287 0.097 0.000 1.252 320 K CB 0.663 33.235 32.500 0.119 0.000 1.656 320 K HN 0.115 nan 8.250 nan 0.000 0.351 321 S N 0.762 116.469 115.700 0.011 0.000 2.545 321 S HA 0.415 4.885 4.470 -0.000 0.000 0.275 321 S C -1.696 172.743 174.600 -0.269 0.000 1.299 321 S CA -1.226 56.871 58.200 -0.171 0.000 1.048 321 S CB 0.552 63.686 63.200 -0.110 0.000 0.938 321 S HN 0.186 nan 8.310 nan 0.000 0.496 322 P HA 0.427 nan 4.420 nan 0.000 0.279 322 P C -0.581 176.582 177.300 -0.229 0.000 1.276 322 P CA -0.695 62.203 63.100 -0.337 0.000 0.801 322 P CB 0.664 32.085 31.700 -0.465 0.000 1.127 323 A N 0.991 123.745 122.820 -0.110 0.000 2.462 323 A HA 0.442 4.762 4.320 -0.000 0.000 0.243 323 A C 0.244 177.798 177.584 -0.051 0.000 1.076 323 A CA -0.011 52.013 52.037 -0.022 0.000 0.773 323 A CB -0.704 18.346 19.000 0.085 0.000 1.010 323 A HN 0.469 nan 8.150 nan 0.000 0.493 324 I N 1.393 121.945 120.570 -0.031 0.000 2.647 324 I HA 0.533 4.703 4.170 -0.000 0.000 0.295 324 I C -0.001 176.175 176.117 0.098 0.000 1.078 324 I CA -0.236 61.023 61.300 -0.069 0.000 1.048 324 I CB 2.600 40.523 38.000 -0.128 0.000 1.239 324 I HN 0.774 nan 8.210 nan 0.000 0.421 325 S N 3.614 119.413 115.700 0.165 0.000 2.537 325 S HA 0.856 5.326 4.470 -0.000 0.000 0.270 325 S C -1.091 173.622 174.600 0.188 0.000 1.142 325 S CA -0.801 57.539 58.200 0.233 0.000 0.870 325 S CB 2.014 65.373 63.200 0.265 0.000 1.112 325 S HN 0.801 nan 8.310 nan 0.000 0.466 326 A N 2.021 124.932 122.820 0.152 0.000 2.273 326 A HA 0.603 4.923 4.320 -0.000 0.000 0.320 326 A C 1.105 178.692 177.584 0.006 0.000 1.358 326 A CA -0.247 51.809 52.037 0.031 0.000 0.910 326 A CB -0.059 18.863 19.000 -0.131 0.000 1.159 326 A HN 1.327 nan 8.150 nan 0.000 0.526 327 T N -0.027 114.541 114.554 0.023 0.000 3.051 327 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 327 T C 1.322 175.995 174.700 -0.045 0.000 1.127 327 T CA 1.159 63.242 62.100 -0.027 0.000 1.107 327 T CB -0.281 68.559 68.868 -0.047 0.000 0.898 327 T HN 0.632 nan 8.240 nan 0.000 0.517 328 K N 1.139 121.515 120.400 -0.040 0.000 2.280 328 K HA 0.155 4.475 4.320 -0.000 0.000 0.202 328 K C 2.606 179.188 176.600 -0.030 0.000 1.047 328 K CA 0.864 57.129 56.287 -0.037 0.000 0.942 328 K CB -0.336 32.107 32.500 -0.095 0.000 0.739 328 K HN 0.488 nan 8.250 nan 0.000 0.457 329 A N 0.940 123.729 122.820 -0.051 0.000 2.019 329 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 329 A C 2.003 179.570 177.584 -0.028 0.000 1.164 329 A CA 1.377 53.388 52.037 -0.043 0.000 0.644 329 A CB -0.252 18.720 19.000 -0.046 0.000 0.805 329 A HN 0.197 nan 8.150 nan 0.000 0.449 330 M N -1.266 118.310 119.600 -0.040 0.000 2.429 330 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 330 M C 2.301 178.583 176.300 -0.029 0.000 1.120 330 M CA 1.662 56.935 55.300 -0.045 0.000 1.173 330 M CB -0.027 32.520 32.600 -0.089 0.000 1.343 330 M HN 0.589 nan 8.290 nan 0.000 0.464 331 T N -2.373 112.163 114.554 -0.030 0.000 3.051 331 T HA 0.427 4.777 4.350 -0.000 0.000 0.255 331 T C 1.048 175.784 174.700 0.060 0.000 1.085 331 T CA 0.425 62.532 62.100 0.011 0.000 1.109 331 T CB -0.071 68.819 68.868 0.037 0.000 0.921 331 T HN 0.545 nan 8.240 nan 0.000 0.488 332 G N 1.097 109.942 108.800 0.075 0.000 2.760 332 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.246 332 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.246 332 G C -0.909 174.087 174.900 0.159 0.000 1.359 332 G CA -0.341 44.842 45.100 0.139 0.000 0.861 332 G HN 0.822 nan 8.290 nan 0.000 0.541 333 H N 0.613 119.727 119.070 0.074 0.000 2.641 333 H HA 0.611 5.167 4.556 -0.000 0.000 0.295 333 H C 1.538 176.835 175.328 -0.052 0.000 1.070 333 H CA -0.078 55.930 56.048 -0.066 0.000 1.257 333 H CB 0.752 30.312 29.762 -0.336 0.000 1.393 333 H HN 0.880 nan 8.280 nan 0.000 0.464 334 S N 4.856 120.672 115.700 0.193 0.000 2.710 334 S HA 0.122 4.592 4.470 -0.000 0.000 0.224 334 S C 1.352 175.932 174.600 -0.034 0.000 0.948 334 S CA -0.018 58.206 58.200 0.041 0.000 0.949 334 S CB -0.612 62.611 63.200 0.037 0.000 0.778 334 S HN 0.730 nan 8.310 nan 0.000 0.498 335 L N 0.018 121.108 121.223 -0.222 0.000 4.638 335 L HA -0.371 3.968 4.340 -0.000 0.000 0.053 335 L C 2.349 179.220 176.870 0.002 0.000 3.458 335 L CA 1.625 56.294 54.840 -0.284 0.000 1.370 335 L CB -2.038 39.855 42.059 -0.277 0.000 3.074 335 L HN 0.458 nan 8.230 nan 0.000 0.881 336 G N -1.210 107.602 108.800 0.019 0.000 2.462 336 G HA2 0.002 3.962 3.960 -0.000 0.000 0.220 336 G HA3 0.002 3.962 3.960 -0.000 0.000 0.220 336 G C 1.260 176.185 174.900 0.043 0.000 1.121 336 G CA 1.286 46.420 45.100 0.056 0.000 0.758 336 G HN 0.838 nan 8.290 nan 0.000 0.559 337 A N 0.257 123.096 122.820 0.031 0.000 2.238 337 A HA 0.663 4.983 4.320 -0.000 0.000 0.210 337 A C 2.527 180.099 177.584 -0.020 0.000 1.179 337 A CA 1.254 53.296 52.037 0.008 0.000 0.827 337 A CB -0.193 18.815 19.000 0.013 0.000 0.856 337 A HN 0.531 nan 8.150 nan 0.000 0.488 338 A N 0.176 123.007 122.820 0.017 0.000 1.883 338 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 338 A C 2.346 179.883 177.584 -0.077 0.000 1.186 338 A CA 1.945 53.984 52.037 0.003 0.000 0.624 338 A CB -1.317 17.738 19.000 0.091 0.000 0.822 338 A HN 0.684 nan 8.150 nan 0.000 0.444 339 G N -0.926 107.833 108.800 -0.069 0.000 2.446 339 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 339 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 339 G C 1.656 176.471 174.900 -0.141 0.000 1.168 339 G CA 1.384 46.419 45.100 -0.109 0.000 0.771 339 G HN 0.633 nan 8.290 nan 0.000 0.551 340 V N 0.032 119.867 119.914 -0.132 0.000 2.488 340 V HA -0.074 4.046 4.120 -0.000 0.000 0.246 340 V C 2.698 178.639 176.094 -0.256 0.000 1.046 340 V CA 2.312 64.514 62.300 -0.164 0.000 1.053 340 V CB -0.187 31.563 31.823 -0.122 0.000 0.679 340 V HN 0.506 nan 8.190 nan 0.000 0.458 341 Q N -0.339 119.281 119.800 -0.301 0.000 2.079 341 Q HA -0.237 4.103 4.340 -0.000 0.000 0.200 341 Q C 2.153 177.574 176.000 -0.966 0.000 0.974 341 Q CA 2.117 57.579 55.803 -0.568 0.000 0.840 341 Q CB -0.141 28.337 28.738 -0.434 0.000 0.898 341 Q HN 0.710 nan 8.270 nan 0.000 0.430 342 E N 0.414 120.287 120.200 -0.544 0.000 2.208 342 E HA -0.119 4.230 4.350 -0.000 0.000 0.193 342 E C 1.868 178.345 176.600 -0.205 0.000 0.988 342 E CA 0.709 56.923 56.400 -0.309 0.000 0.828 342 E CB -0.020 29.630 29.700 -0.084 0.000 0.763 342 E HN 0.331 nan 8.360 nan 0.000 0.478 343 A N 1.016 123.702 122.820 -0.223 0.000 1.898 343 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 343 A C 2.130 179.611 177.584 -0.172 0.000 1.181 343 A CA 0.891 52.835 52.037 -0.156 0.000 0.620 343 A CB -0.435 18.471 19.000 -0.156 0.000 0.819 343 A HN 0.135 nan 8.150 nan 0.000 0.442 344 I N -1.392 119.015 120.570 -0.272 0.000 2.226 344 I HA -0.267 3.902 4.170 -0.000 0.000 0.245 344 I C 2.277 178.329 176.117 -0.109 0.000 1.100 344 I CA 1.232 62.385 61.300 -0.246 0.000 1.374 344 I CB -0.395 37.429 38.000 -0.295 0.000 1.057 344 I HN 0.385 nan 8.210 nan 0.000 0.413 345 Y N 0.606 120.882 120.300 -0.040 0.000 2.224 345 Y HA -0.186 4.364 4.550 -0.000 0.000 0.289 345 Y C 2.911 178.781 175.900 -0.050 0.000 1.146 345 Y CA 0.816 58.902 58.100 -0.024 0.000 1.182 345 Y CB -1.313 37.142 38.460 -0.008 0.000 0.983 345 Y HN 0.098 nan 8.280 nan 0.000 0.524 346 S N 0.001 115.771 115.700 0.117 0.000 2.383 346 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 346 S C 2.144 176.753 174.600 0.014 0.000 1.026 346 S CA 0.966 59.221 58.200 0.093 0.000 0.981 346 S CB -0.542 62.730 63.200 0.121 0.000 0.818 346 S HN 0.350 nan 8.310 nan 0.000 0.472 347 L N 0.927 122.143 121.223 -0.013 0.000 2.093 347 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 347 L C 2.176 179.081 176.870 0.057 0.000 1.085 347 L CA 0.931 55.760 54.840 -0.020 0.000 0.755 347 L CB -0.493 41.474 42.059 -0.155 0.000 0.904 347 L HN 0.289 nan 8.230 nan 0.000 0.435 348 L N -1.101 120.175 121.223 0.089 0.000 2.093 348 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 348 L C 2.628 179.624 176.870 0.211 0.000 1.085 348 L CA 1.248 56.252 54.840 0.274 0.000 0.755 348 L CB -0.312 41.922 42.059 0.291 0.000 0.904 348 L HN 0.313 nan 8.230 nan 0.000 0.435 349 M N -0.895 118.603 119.600 -0.169 0.000 2.132 349 M HA -0.224 4.256 4.480 -0.000 0.000 0.263 349 M C 2.272 178.416 176.300 -0.259 0.000 1.065 349 M CA 1.573 56.479 55.300 -0.657 0.000 1.122 349 M CB -0.239 31.841 32.600 -0.866 0.000 1.365 349 M HN 0.220 nan 8.290 nan 0.000 0.411 350 L N 0.477 121.643 121.223 -0.096 0.000 2.027 350 L HA -0.149 4.190 4.340 -0.000 0.000 0.206 350 L C 2.216 179.101 176.870 0.026 0.000 1.074 350 L CA 1.991 56.819 54.840 -0.019 0.000 0.745 350 L CB -0.581 41.488 42.059 0.017 0.000 0.898 350 L HN 0.207 nan 8.230 nan 0.000 0.433 351 E N -1.137 119.105 120.200 0.069 0.000 2.077 351 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 351 E C 1.790 178.299 176.600 -0.152 0.000 0.989 351 E CA 1.607 58.003 56.400 -0.007 0.000 0.800 351 E CB -0.142 29.605 29.700 0.078 0.000 0.746 351 E HN 0.641 nan 8.360 nan 0.000 0.452 352 H N -1.221 117.966 119.070 0.194 0.000 2.551 352 H HA 0.266 4.822 4.556 -0.000 0.000 0.271 352 H C 0.534 176.015 175.328 0.255 0.000 0.984 352 H CA 0.526 56.715 56.048 0.235 0.000 1.164 352 H CB 0.535 30.492 29.762 0.325 0.000 1.437 352 H HN 0.287 nan 8.280 nan 0.000 0.550 353 G N 2.015 110.950 108.800 0.226 0.000 2.367 353 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.295 353 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.295 353 G C -0.246 174.794 174.900 0.233 0.000 1.019 353 G CA 0.733 45.923 45.100 0.150 0.000 1.224 353 G HN 0.526 nan 8.290 nan 0.000 0.510 354 F N -1.751 118.184 119.950 -0.025 0.000 2.713 354 F HA 0.801 5.328 4.527 -0.000 0.000 0.311 354 F C -0.896 174.807 175.800 -0.162 0.000 1.141 354 F CA -2.207 55.753 58.000 -0.065 0.000 0.939 354 F CB 1.132 40.106 39.000 -0.043 0.000 1.325 354 F HN 0.073 nan 8.300 nan 0.000 0.453 355 I N 2.744 123.193 120.570 -0.201 0.000 2.378 355 I HA 0.627 4.796 4.170 -0.000 0.000 0.291 355 I C 0.109 176.137 176.117 -0.148 0.000 0.992 355 I CA -1.081 59.952 61.300 -0.446 0.000 1.154 355 I CB 1.717 39.558 38.000 -0.266 0.000 1.315 355 I HN 0.959 nan 8.210 nan 0.000 0.448 356 A N 9.135 131.794 122.820 -0.268 0.000 2.425 356 A HA 0.499 4.819 4.320 -0.000 0.000 0.249 356 A C -2.339 175.257 177.584 0.021 0.000 1.084 356 A CA -1.078 50.974 52.037 0.025 0.000 0.781 356 A CB -0.298 18.692 19.000 -0.017 0.000 1.019 356 A HN 0.431 nan 8.150 nan 0.000 0.490 357 P HA 0.129 nan 4.420 nan 0.000 0.278 357 P C -0.351 176.978 177.300 0.047 0.000 1.238 357 P CA -0.211 62.917 63.100 0.046 0.000 0.794 357 P CB 1.206 32.926 31.700 0.033 0.000 0.955 358 S N 2.652 118.394 115.700 0.070 0.000 2.409 358 S HA 0.354 4.824 4.470 -0.000 0.000 0.308 358 S C 0.665 175.297 174.600 0.054 0.000 1.080 358 S CA -0.789 57.460 58.200 0.081 0.000 1.081 358 S CB -1.348 61.946 63.200 0.155 0.000 1.009 358 S HN 0.337 nan 8.310 nan 0.000 0.502 359 I N 1.855 122.438 120.570 0.021 0.000 3.156 359 I HA 0.481 4.650 4.170 -0.000 0.000 0.306 359 I C 0.384 176.500 176.117 -0.002 0.000 1.048 359 I CA -0.634 60.670 61.300 0.007 0.000 1.207 359 I CB 0.286 38.282 38.000 -0.008 0.000 1.456 359 I HN 0.477 nan 8.210 nan 0.000 0.616 360 N N 0.886 119.578 118.700 -0.012 0.000 2.741 360 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 360 N C -0.633 174.869 175.510 -0.013 0.000 1.115 360 N CA 0.931 53.962 53.050 -0.032 0.000 0.724 360 N CB -1.496 36.949 38.487 -0.070 0.000 1.090 360 N HN 0.595 nan 8.380 nan 0.000 0.558 361 I N 1.093 121.674 120.570 0.020 0.000 2.276 361 I HA 0.062 4.232 4.170 -0.000 0.000 0.290 361 I C 1.428 177.569 176.117 0.039 0.000 1.109 361 I CA -0.152 61.177 61.300 0.048 0.000 1.229 361 I CB 0.509 38.557 38.000 0.081 0.000 1.452 361 I HN 0.029 nan 8.210 nan 0.000 0.497 362 E N 3.853 124.073 120.200 0.034 0.000 2.170 362 E HA -0.043 4.307 4.350 -0.000 0.000 0.191 362 E C 0.551 177.180 176.600 0.049 0.000 0.981 362 E CA 0.642 57.057 56.400 0.024 0.000 0.830 362 E CB 0.466 30.162 29.700 -0.007 0.000 0.775 362 E HN 0.534 nan 8.360 nan 0.000 0.470 363 E N 1.143 121.395 120.200 0.087 0.000 2.343 363 E HA 0.148 4.498 4.350 -0.000 0.000 0.260 363 E C -1.408 175.258 176.600 0.108 0.000 0.908 363 E CA -0.584 55.878 56.400 0.104 0.000 0.814 363 E CB 1.017 30.812 29.700 0.159 0.000 1.302 363 E HN -0.074 nan 8.360 nan 0.000 0.408 364 L N 4.151 125.422 121.223 0.080 0.000 2.499 364 L HA 0.117 4.457 4.340 -0.000 0.000 0.273 364 L C 0.254 177.167 176.870 0.071 0.000 1.195 364 L CA 0.530 55.416 54.840 0.077 0.000 0.882 364 L CB 0.693 42.777 42.059 0.042 0.000 1.133 364 L HN 0.605 nan 8.230 nan 0.000 0.483 365 D N 3.375 123.828 120.400 0.088 0.000 2.472 365 D HA -0.112 4.528 4.640 -0.000 0.000 0.237 365 D C 0.879 177.201 176.300 0.036 0.000 1.141 365 D CA 0.410 54.453 54.000 0.072 0.000 0.875 365 D CB 0.866 41.729 40.800 0.105 0.000 1.192 365 D HN 0.828 nan 8.370 nan 0.000 0.450 366 E N 2.342 122.559 120.200 0.029 0.000 2.097 366 E HA -0.257 4.092 4.350 -0.000 0.000 0.196 366 E C 1.151 177.756 176.600 0.007 0.000 1.000 366 E CA 1.229 57.639 56.400 0.017 0.000 0.804 366 E CB 0.137 29.847 29.700 0.016 0.000 0.740 366 E HN 0.562 nan 8.360 nan 0.000 0.454 367 Q N -0.881 118.926 119.800 0.012 0.000 2.466 367 Q HA 0.057 4.397 4.340 -0.000 0.000 0.210 367 Q C 1.149 177.133 176.000 -0.026 0.000 0.961 367 Q CA 0.406 56.210 55.803 0.002 0.000 0.953 367 Q CB 0.491 29.240 28.738 0.018 0.000 1.011 367 Q HN 0.277 nan 8.270 nan 0.000 0.516 368 A N 0.401 123.193 122.820 -0.047 0.000 2.308 368 A HA 0.408 4.728 4.320 -0.000 0.000 0.217 368 A C 0.919 178.450 177.584 -0.088 0.000 1.216 368 A CA -0.064 51.901 52.037 -0.120 0.000 0.864 368 A CB 0.218 19.113 19.000 -0.174 0.000 0.902 368 A HN 0.274 nan 8.150 nan 0.000 0.499 369 A N -0.875 121.917 122.820 -0.046 0.000 2.540 369 A HA 0.437 4.757 4.320 -0.000 0.000 0.239 369 A C 1.670 179.232 177.584 -0.036 0.000 1.061 369 A CA 0.732 52.749 52.037 -0.033 0.000 0.758 369 A CB -0.513 18.478 19.000 -0.016 0.000 0.991 369 A HN 1.928 nan 8.150 nan 0.000 0.502 370 G N 0.773 109.554 108.800 -0.033 0.000 2.225 370 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.254 370 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.254 370 G C 0.125 174.999 174.900 -0.044 0.000 0.988 370 G CA 0.438 45.520 45.100 -0.030 0.000 0.625 370 G HN 0.833 nan 8.290 nan 0.000 0.527 371 L N 0.652 121.835 121.223 -0.068 0.000 2.343 371 L HA 0.389 4.729 4.340 -0.000 0.000 0.275 371 L C 0.734 177.550 176.870 -0.091 0.000 1.056 371 L CA -0.670 54.113 54.840 -0.093 0.000 0.804 371 L CB 1.530 43.506 42.059 -0.138 0.000 1.203 371 L HN 0.269 nan 8.230 nan 0.000 0.440 372 N N 3.340 121.987 118.700 -0.088 0.000 2.663 372 N HA 0.143 4.883 4.740 -0.000 0.000 0.250 372 N C -0.765 174.707 175.510 -0.063 0.000 1.129 372 N CA -0.635 52.378 53.050 -0.062 0.000 0.995 372 N CB 0.375 38.833 38.487 -0.048 0.000 1.324 372 N HN 0.376 nan 8.380 nan 0.000 0.512 373 I N 4.061 124.590 120.570 -0.069 0.000 2.308 373 I HA 0.094 4.264 4.170 -0.000 0.000 0.293 373 I C 0.344 176.468 176.117 0.012 0.000 1.078 373 I CA -0.482 60.789 61.300 -0.049 0.000 1.292 373 I CB 0.741 38.687 38.000 -0.091 0.000 1.423 373 I HN 0.138 nan 8.210 nan 0.000 0.493 374 V N 7.183 127.124 119.914 0.046 0.000 2.446 374 V HA 0.058 4.177 4.120 -0.000 0.000 0.276 374 V C 1.452 177.582 176.094 0.060 0.000 1.030 374 V CA 0.155 62.487 62.300 0.054 0.000 1.033 374 V CB 0.550 32.415 31.823 0.070 0.000 0.993 374 V HN 0.892 nan 8.190 nan 0.000 0.477 375 T N 0.616 115.197 114.554 0.044 0.000 3.044 375 T HA 0.269 4.619 4.350 -0.000 0.000 0.260 375 T C 0.205 174.924 174.700 0.031 0.000 1.019 375 T CA -0.203 61.922 62.100 0.042 0.000 0.921 375 T CB -0.141 68.750 68.868 0.037 0.000 1.053 375 T HN 0.825 nan 8.240 nan 0.000 0.533 376 E N 0.390 120.608 120.200 0.031 0.000 2.331 376 E HA 0.432 4.782 4.350 -0.000 0.000 0.275 376 E C -1.414 175.206 176.600 0.033 0.000 0.895 376 E CA -1.046 55.369 56.400 0.024 0.000 0.753 376 E CB 1.082 30.792 29.700 0.017 0.000 1.216 376 E HN -0.113 nan 8.360 nan 0.000 0.434 377 T N 2.563 117.137 114.554 0.034 0.000 2.871 377 T HA 0.110 4.459 4.350 -0.000 0.000 0.296 377 T C -0.425 174.311 174.700 0.059 0.000 0.998 377 T CA 0.430 62.568 62.100 0.063 0.000 1.162 377 T CB 0.195 69.079 68.868 0.027 0.000 0.947 377 T HN 0.445 nan 8.240 nan 0.000 0.536 378 T N 4.187 118.793 114.554 0.087 0.000 2.840 378 T HA 0.227 4.577 4.350 -0.000 0.000 0.287 378 T C -0.458 174.300 174.700 0.097 0.000 0.991 378 T CA -0.928 61.211 62.100 0.065 0.000 0.964 378 T CB 1.078 69.969 68.868 0.038 0.000 0.954 378 T HN 0.447 nan 8.240 nan 0.000 0.438 379 D N 3.098 123.548 120.400 0.083 0.000 2.383 379 D HA 0.314 4.954 4.640 -0.000 0.000 0.252 379 D C 0.365 176.705 176.300 0.068 0.000 1.166 379 D CA 0.213 54.274 54.000 0.102 0.000 0.879 379 D CB 1.014 41.854 40.800 0.065 0.000 1.164 379 D HN 0.412 nan 8.370 nan 0.000 0.462 380 R N 1.588 122.129 120.500 0.069 0.000 2.561 380 R HA 0.104 4.444 4.340 -0.000 0.000 0.266 380 R C -1.204 175.114 176.300 0.031 0.000 1.091 380 R CA -0.647 55.474 56.100 0.036 0.000 0.927 380 R CB 1.534 31.844 30.300 0.017 0.000 1.240 380 R HN 0.316 nan 8.270 nan 0.000 0.449 381 E N 5.198 125.413 120.200 0.026 0.000 2.166 381 E HA 0.161 4.511 4.350 -0.000 0.000 0.279 381 E C -0.761 175.847 176.600 0.013 0.000 1.095 381 E CA -0.213 56.200 56.400 0.022 0.000 0.888 381 E CB 0.533 30.245 29.700 0.019 0.000 1.041 381 E HN 0.361 nan 8.360 nan 0.000 0.414 382 L N 3.636 124.863 121.223 0.006 0.000 2.360 382 L HA 0.330 4.670 4.340 -0.000 0.000 0.271 382 L C 0.913 177.791 176.870 0.014 0.000 1.057 382 L CA -0.526 54.319 54.840 0.008 0.000 0.803 382 L CB 1.725 43.779 42.059 -0.010 0.000 1.207 382 L HN 0.578 nan 8.230 nan 0.000 0.445 383 T N -1.383 113.183 114.554 0.021 0.000 3.075 383 T HA 0.092 4.442 4.350 -0.000 0.000 0.251 383 T C 0.266 174.981 174.700 0.024 0.000 0.979 383 T CA 0.330 62.441 62.100 0.019 0.000 1.033 383 T CB 0.660 69.538 68.868 0.016 0.000 1.104 383 T HN 0.602 nan 8.240 nan 0.000 0.473 384 T N 2.916 117.490 114.554 0.034 0.000 2.879 384 T HA 0.682 5.032 4.350 -0.000 0.000 0.290 384 T C -0.758 173.974 174.700 0.053 0.000 0.993 384 T CA -0.708 61.416 62.100 0.039 0.000 0.975 384 T CB 2.030 70.922 68.868 0.040 0.000 0.981 384 T HN 0.226 nan 8.240 nan 0.000 0.439 385 V N 1.065 121.012 119.914 0.055 0.000 3.001 385 V HA 0.878 4.998 4.120 -0.000 0.000 0.314 385 V C -0.678 175.430 176.094 0.023 0.000 1.099 385 V CA -1.241 61.099 62.300 0.067 0.000 0.989 385 V CB 2.193 34.103 31.823 0.146 0.000 1.040 385 V HN 0.981 nan 8.190 nan 0.000 0.434 386 M N 2.772 122.350 119.600 -0.037 0.000 2.518 386 M HA 0.752 5.232 4.480 -0.000 0.000 0.300 386 M C -1.091 175.145 176.300 -0.107 0.000 1.175 386 M CA -0.303 54.974 55.300 -0.039 0.000 0.890 386 M CB 2.253 34.859 32.600 0.011 0.000 1.710 386 M HN 0.983 nan 8.290 nan 0.000 0.453 387 S N 3.158 118.806 115.700 -0.087 0.000 2.647 387 S HA 0.557 5.027 4.470 -0.000 0.000 0.300 387 S C -1.461 173.029 174.600 -0.183 0.000 1.129 387 S CA -0.788 57.332 58.200 -0.134 0.000 1.029 387 S CB 0.894 64.033 63.200 -0.102 0.000 1.007 387 S HN 0.837 nan 8.310 nan 0.000 0.484 388 N N 2.391 120.916 118.700 -0.291 0.000 2.456 388 N HA 0.455 5.195 4.740 -0.000 0.000 0.288 388 N C -1.180 173.908 175.510 -0.704 0.000 1.059 388 N CA -0.310 52.394 53.050 -0.576 0.000 0.946 388 N CB 1.749 39.751 38.487 -0.807 0.000 1.150 388 N HN 0.454 nan 8.380 nan 0.000 0.479 389 S N 1.951 117.188 115.700 -0.773 0.000 2.745 389 S HA 0.447 4.917 4.470 -0.000 0.000 0.283 389 S C -1.211 173.159 174.600 -0.383 0.000 1.170 389 S CA -0.582 57.318 58.200 -0.501 0.000 1.119 389 S CB -0.050 62.988 63.200 -0.270 0.000 1.035 389 S HN 0.273 nan 8.310 nan 0.000 0.483 390 F N 1.856 121.752 119.950 -0.089 0.000 2.382 390 F HA 0.642 5.169 4.527 -0.000 0.000 0.361 390 F C 0.863 176.595 175.800 -0.114 0.000 1.109 390 F CA -1.173 56.780 58.000 -0.079 0.000 1.031 390 F CB 1.026 39.976 39.000 -0.083 0.000 1.234 390 F HN 0.545 nan 8.300 nan 0.000 0.445 391 G N 1.550 110.423 108.800 0.122 0.000 2.491 391 G HA2 0.559 4.519 3.960 -0.000 0.000 0.327 391 G HA3 0.559 4.519 3.960 -0.000 0.000 0.327 391 G C -0.803 174.125 174.900 0.047 0.000 1.189 391 G CA -0.675 44.463 45.100 0.063 0.000 0.956 391 G HN 0.247 nan 8.290 nan 0.000 0.491 392 F N -0.049 120.003 119.950 0.170 0.000 2.595 392 F HA 0.350 4.877 4.527 -0.000 0.000 0.359 392 F C 1.651 177.528 175.800 0.128 0.000 1.147 392 F CA 1.634 59.728 58.000 0.156 0.000 1.341 392 F CB 0.741 39.853 39.000 0.187 0.000 1.104 392 F HN 0.844 nan 8.300 nan 0.000 0.603 393 G N 0.276 109.241 108.800 0.274 0.000 2.176 393 G HA2 0.077 4.037 3.960 -0.000 0.000 0.232 393 G HA3 0.077 4.037 3.960 -0.000 0.000 0.232 393 G C 0.879 175.851 174.900 0.120 0.000 0.986 393 G CA 0.009 45.215 45.100 0.176 0.000 0.643 393 G HN 1.887 nan 8.290 nan 0.000 0.522 394 G N -1.149 107.714 108.800 0.105 0.000 2.176 394 G HA2 0.079 4.039 3.960 -0.000 0.000 0.252 394 G HA3 0.079 4.039 3.960 -0.000 0.000 0.252 394 G C 0.389 175.335 174.900 0.077 0.000 1.024 394 G CA 1.430 46.567 45.100 0.062 0.000 0.755 394 G HN 1.995 nan 8.290 nan 0.000 0.507 395 T N 0.535 115.167 114.554 0.129 0.000 2.767 395 T HA 0.583 4.933 4.350 -0.000 0.000 0.284 395 T C -0.084 174.766 174.700 0.250 0.000 0.973 395 T CA -0.539 61.673 62.100 0.187 0.000 0.996 395 T CB 0.383 69.386 68.868 0.226 0.000 0.927 395 T HN 0.289 nan 8.240 nan 0.000 0.456 396 N N 2.884 121.742 118.700 0.265 0.000 2.269 396 N HA 0.718 5.458 4.740 -0.000 0.000 0.304 396 N C -1.301 174.352 175.510 0.238 0.000 1.072 396 N CA -0.625 52.618 53.050 0.322 0.000 0.802 396 N CB 2.127 40.747 38.487 0.221 0.000 1.348 396 N HN 0.757 nan 8.380 nan 0.000 0.484 397 A N 0.758 123.645 122.820 0.111 0.000 2.427 397 A HA 0.728 5.048 4.320 -0.000 0.000 0.298 397 A C -0.863 176.714 177.584 -0.012 0.000 1.036 397 A CA -0.495 51.504 52.037 -0.064 0.000 0.701 397 A CB 1.299 20.000 19.000 -0.499 0.000 1.250 397 A HN 0.443 nan 8.150 nan 0.000 0.412 398 T N 2.441 117.036 114.554 0.068 0.000 2.886 398 T HA 0.623 4.973 4.350 -0.000 0.000 0.292 398 T C -0.835 173.928 174.700 0.104 0.000 1.012 398 T CA -0.255 61.873 62.100 0.047 0.000 0.982 398 T CB 0.942 69.868 68.868 0.096 0.000 1.018 398 T HN 0.501 nan 8.240 nan 0.000 0.451 399 L N 2.700 123.948 121.223 0.042 0.000 2.365 399 L HA 0.767 5.107 4.340 -0.000 0.000 0.273 399 L C -0.829 176.060 176.870 0.032 0.000 1.000 399 L CA -1.149 53.723 54.840 0.054 0.000 0.819 399 L CB 2.069 44.122 42.059 -0.010 0.000 1.284 399 L HN 0.331 nan 8.230 nan 0.000 0.418 400 V N 3.878 123.822 119.914 0.049 0.000 2.409 400 V HA 0.507 4.627 4.120 -0.000 0.000 0.291 400 V C -0.152 175.959 176.094 0.028 0.000 1.020 400 V CA -0.347 61.978 62.300 0.041 0.000 0.848 400 V CB 1.787 33.644 31.823 0.057 0.000 0.990 400 V HN 0.712 nan 8.190 nan 0.000 0.430 401 M N 5.216 124.828 119.600 0.020 0.000 2.383 401 M HA 0.658 5.138 4.480 -0.000 0.000 0.325 401 M C -0.502 175.810 176.300 0.020 0.000 1.092 401 M CA -0.345 54.962 55.300 0.012 0.000 0.961 401 M CB 2.401 35.002 32.600 0.002 0.000 1.672 401 M HN 0.577 nan 8.290 nan 0.000 0.438 402 R N 1.646 122.155 120.500 0.015 0.000 2.673 402 R HA 0.475 4.815 4.340 -0.000 0.000 0.281 402 R C -1.086 175.218 176.300 0.007 0.000 0.991 402 R CA -0.803 55.306 56.100 0.014 0.000 0.896 402 R CB 1.933 32.242 30.300 0.014 0.000 1.201 402 R HN 0.643 nan 8.270 nan 0.000 0.457 403 K N 2.218 122.622 120.400 0.006 0.000 2.469 403 K HA -0.004 4.316 4.320 -0.000 0.000 0.274 403 K C -0.244 176.349 176.600 -0.011 0.000 0.983 403 K CA -0.113 56.171 56.287 -0.005 0.000 0.974 403 K CB 0.383 32.881 32.500 -0.004 0.000 0.913 403 K HN 0.277 nan 8.250 nan 0.000 0.493 404 L N 3.589 124.798 121.223 -0.023 0.000 2.331 404 L HA 0.029 4.368 4.340 -0.000 0.000 0.278 404 L C 0.732 177.591 176.870 -0.020 0.000 1.106 404 L CA 0.105 54.931 54.840 -0.024 0.000 0.824 404 L CB 1.006 43.043 42.059 -0.036 0.000 1.142 404 L HN 0.496 nan 8.230 nan 0.000 0.443 405 K N 2.871 123.262 120.400 -0.014 0.000 2.001 405 K HA 0.125 4.445 4.320 -0.000 0.000 0.214 405 K C 0.567 177.159 176.600 -0.014 0.000 1.050 405 K CA 1.735 58.015 56.287 -0.012 0.000 0.934 405 K CB -1.263 31.232 32.500 -0.009 0.000 0.718 405 K HN 0.742 nan 8.250 nan 0.000 0.443 406 D N 0.000 120.391 120.400 -0.016 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 nan 54.000 nan 0.000 0.868 406 D CB 0.000 nan 40.800 nan 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683