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 3a79_1_A DATA FIRST_RESID 26 DATA SEQUENCE ESLScDASGV cDGRSRSFTS IPSGLTAAMK SLDLSFNKIT YIGHGDLRAC DATA SEQUENCE ANLQVLILKS SRINTIEGDA FYSLGSLEHL DLSDNHLSSL SSSWFGPLSS DATA SEQUENCE LKYLNLMGNP YQTLGVTSLF PNLTNLQTLR IGNVETFSEI RRIDFAGLTS DATA SEQUENCE LNELEIKALS LRNYQSQSLK SIRDIHHLTL HLSESAFLLE IFADILSSVR DATA SEQUENCE YLELRDTNLA RFQFSPLPVD EVSSPMKKLA FRGSVLTDES FNELLKLLRY DATA SEQUENCE ILELSEVEFD DCTLNGLGDF NPSESDVVSE LGKVETVTIR RLHIPQFYLF DATA SEQUENCE YDLSTVYSLL EKVKRITVEN SKVFLVPcSF SQHLKSLEFL DLSENLMVEE DATA SEQUENCE YLKNSAcKGA WPSLQTLVLS QNHLRSMQKT GEILLTLKNL TSLDISRNTF DATA SEQUENCE HPMPDScQWP EKMRFLNLSS TGIRVVKTcI PQTLEVLDVS NNNLDSFSLF DATA SEQUENCE LPRLQELYIS RNKLKTLPDA SLFPVLLVMK IASNQLKSVP DGIFDRLTSL DATA SEQUENCE QKIWLHTNPW DcScPRIDYL SRWLNKNSQK EQGSAKcSGS GKPVRSIIcP 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 26 E HA 0.000 nan 4.350 nan 0.000 0.291 26 E C 0.000 176.755 176.600 0.258 0.000 1.382 26 E CA 0.000 56.544 56.400 0.239 0.000 0.976 26 E CB 0.000 29.781 29.700 0.135 0.000 0.812 27 S N 0.618 116.460 115.700 0.236 0.000 2.532 27 S HA 0.682 5.165 4.470 0.021 0.000 0.299 27 S C -0.512 174.232 174.600 0.241 0.000 1.105 27 S CA -0.807 57.503 58.200 0.183 0.000 1.018 27 S CB 1.626 64.882 63.200 0.095 0.000 1.021 27 S HN 0.327 nan 8.310 nan 0.000 0.483 28 L N 3.404 124.752 121.223 0.209 0.000 2.307 28 L HA 0.576 4.929 4.340 0.021 0.000 0.282 28 L C 0.883 177.808 176.870 0.093 0.000 1.051 28 L CA -0.201 54.745 54.840 0.177 0.000 0.804 28 L CB 1.831 43.973 42.059 0.138 0.000 1.197 28 L HN 1.096 nan 8.230 nan 0.000 0.431 29 S N 3.567 119.312 115.700 0.074 0.000 3.651 29 S HA 0.542 5.024 4.470 0.021 0.000 0.201 29 S C 0.071 174.691 174.600 0.034 0.000 1.028 29 S CA -0.026 58.201 58.200 0.045 0.000 1.564 29 S CB 1.170 64.391 63.200 0.035 0.000 0.787 29 S HN 0.905 nan 8.310 nan 0.000 0.627 30 c N -0.338 118.277 118.600 0.024 0.000 2.453 30 c HA 0.383 4.966 4.570 0.021 0.000 0.240 30 c C -2.199 171.896 174.090 0.009 0.000 1.120 30 c CA 0.170 56.509 56.329 0.016 0.000 1.208 30 c CB -0.232 42.287 42.510 0.015 0.000 1.181 30 c HN 1.377 nan 8.230 nan 0.000 0.501 31 D N 0.304 120.706 120.400 0.004 0.000 2.652 31 D HA 0.714 5.367 4.640 0.021 0.000 0.285 31 D C 0.510 176.810 176.300 -0.000 0.000 1.173 31 D CA 0.089 54.090 54.000 0.001 0.000 0.981 31 D CB 0.978 41.777 40.800 -0.002 0.000 1.440 31 D HN 1.083 nan 8.370 nan 0.000 0.485 32 A N 0.250 123.069 122.820 -0.002 0.000 1.877 32 A HA -0.102 4.231 4.320 0.021 0.000 0.216 32 A C 2.131 179.713 177.584 -0.003 0.000 1.186 32 A CA 2.241 54.277 52.037 -0.002 0.000 0.620 32 A CB -1.230 17.769 19.000 -0.003 0.000 0.822 32 A HN 0.469 nan 8.150 nan 0.000 0.443 33 S N -1.767 113.930 115.700 -0.006 0.000 2.368 33 S HA 0.066 4.548 4.470 0.021 0.000 0.226 33 S C 1.446 176.042 174.600 -0.007 0.000 1.044 33 S CA 2.040 60.236 58.200 -0.007 0.000 1.062 33 S CB -0.291 62.903 63.200 -0.011 0.000 0.931 33 S HN 1.736 nan 8.310 nan 0.000 0.440 34 G N -0.732 108.064 108.800 -0.006 0.000 2.363 34 G HA2 -0.086 3.887 3.960 0.021 0.000 0.213 34 G HA3 -0.086 3.887 3.960 0.021 0.000 0.213 34 G C -0.279 174.617 174.900 -0.008 0.000 1.028 34 G CA -0.251 44.846 45.100 -0.005 0.000 0.822 34 G HN 0.347 nan 8.290 nan 0.000 0.536 35 V N 1.779 121.687 119.914 -0.010 0.000 2.221 35 V HA 0.264 4.396 4.120 0.021 0.000 0.258 35 V C 1.084 177.175 176.094 -0.005 0.000 1.179 35 V CA -0.714 61.577 62.300 -0.015 0.000 1.022 35 V CB 0.132 31.941 31.823 -0.022 0.000 1.228 35 V HN 0.471 nan 8.190 nan 0.000 0.487 36 c N 3.266 121.867 118.600 0.001 0.000 2.637 36 c HA 0.271 4.854 4.570 0.021 0.000 0.418 36 c C 0.671 174.773 174.090 0.019 0.000 1.319 36 c CA -0.072 56.266 56.329 0.014 0.000 1.949 36 c CB 0.029 42.551 42.510 0.021 0.000 2.639 36 c HN 0.873 nan 8.230 nan 0.000 0.594 37 D N 1.233 121.651 120.400 0.031 0.000 2.454 37 D HA 0.410 5.062 4.640 0.021 0.000 0.247 37 D C 0.280 176.618 176.300 0.063 0.000 1.129 37 D CA -0.201 53.821 54.000 0.036 0.000 0.877 37 D CB 0.519 41.333 40.800 0.022 0.000 1.082 37 D HN 0.693 nan 8.370 nan 0.000 0.537 38 G N 3.294 112.150 108.800 0.093 0.000 4.637 38 G HA2 0.146 4.118 3.960 0.021 0.000 0.308 38 G HA3 0.146 4.118 3.960 0.021 0.000 0.308 38 G C 0.945 175.882 174.900 0.061 0.000 1.377 38 G CA -0.472 44.717 45.100 0.149 0.000 1.176 38 G HN 0.303 nan 8.290 nan 0.000 0.601 39 R N 0.390 120.906 120.500 0.028 0.000 1.046 39 R HA 0.050 4.403 4.340 0.021 0.000 0.072 39 R C 2.144 178.424 176.300 -0.034 0.000 0.466 39 R CA 0.994 57.125 56.100 0.051 0.000 2.054 39 R CB -0.519 29.832 30.300 0.085 0.000 0.479 39 R HN 0.135 nan 8.270 nan 0.000 0.782 40 S N 0.250 115.934 115.700 -0.026 0.000 2.851 40 S HA 0.100 4.583 4.470 0.021 0.000 0.227 40 S C -0.450 174.028 174.600 -0.204 0.000 0.958 40 S CA 0.025 58.185 58.200 -0.067 0.000 0.990 40 S CB -0.404 62.764 63.200 -0.054 0.000 0.790 40 S HN 0.148 nan 8.310 nan 0.000 0.509 41 R N 1.971 122.243 120.500 -0.380 0.000 2.446 41 R HA 0.083 4.436 4.340 0.021 0.000 0.314 41 R C 0.429 176.297 176.300 -0.720 0.000 1.003 41 R CA 0.101 55.867 56.100 -0.558 0.000 1.018 41 R CB -0.102 29.732 30.300 -0.777 0.000 0.945 41 R HN -0.046 nan 8.270 nan 0.000 0.419 42 S N 4.911 120.427 115.700 -0.307 0.000 2.962 42 S HA 0.124 4.607 4.470 0.021 0.000 0.320 42 S C -0.414 174.194 174.600 0.012 0.000 1.186 42 S CA -0.235 57.883 58.200 -0.136 0.000 1.180 42 S CB -0.485 62.697 63.200 -0.031 0.000 1.491 42 S HN 0.374 nan 8.310 nan 0.000 0.556 43 F N 1.464 121.434 119.950 0.033 0.000 2.377 43 F HA 0.292 4.838 4.527 0.032 0.000 0.328 43 F C 1.876 177.693 175.800 0.028 0.000 1.094 43 F CA -0.854 57.162 58.000 0.027 0.000 1.093 43 F CB 1.555 40.567 39.000 0.021 0.000 1.214 43 F HN 0.451 nan 8.300 nan 0.000 0.518 44 T N -3.079 111.617 114.554 0.237 0.000 3.003 44 T HA 0.189 4.551 4.350 0.021 0.000 0.261 44 T C -0.003 174.758 174.700 0.102 0.000 1.003 44 T CA 0.060 62.242 62.100 0.137 0.000 0.917 44 T CB 0.037 68.965 68.868 0.100 0.000 1.084 44 T HN 0.519 nan 8.240 nan 0.000 0.522 45 S N 0.751 116.496 115.700 0.074 0.000 2.570 45 S HA 0.645 5.127 4.470 0.021 0.000 0.270 45 S C -0.855 173.701 174.600 -0.073 0.000 1.149 45 S CA -1.132 57.073 58.200 0.009 0.000 0.837 45 S CB 1.083 64.276 63.200 -0.011 0.000 1.124 45 S HN 0.154 nan 8.310 nan 0.000 0.465 46 I N 2.150 122.676 120.570 -0.073 0.000 2.742 46 I HA 0.159 4.342 4.170 0.021 0.000 0.287 46 I C -2.039 173.951 176.117 -0.213 0.000 1.186 46 I CA -1.176 60.059 61.300 -0.109 0.000 1.417 46 I CB -0.710 37.242 38.000 -0.079 0.000 1.377 46 I HN 0.519 nan 8.210 nan 0.000 0.556 47 P HA -0.074 nan 4.420 nan 0.000 0.257 47 P C -0.115 177.059 177.300 -0.211 0.000 1.153 47 P CA 0.609 63.455 63.100 -0.423 0.000 0.762 47 P CB 0.227 31.714 31.700 -0.355 0.000 0.743 48 S N 2.553 118.142 115.700 -0.184 0.000 2.576 48 S HA 0.354 4.837 4.470 0.021 0.000 0.272 48 S C 0.891 175.444 174.600 -0.077 0.000 1.352 48 S CA 0.580 58.718 58.200 -0.104 0.000 1.021 48 S CB -0.033 63.117 63.200 -0.084 0.000 0.887 48 S HN 0.915 nan 8.310 nan 0.000 0.542 49 G N 1.338 110.108 108.800 -0.050 0.000 2.434 49 G HA2 -0.190 3.783 3.960 0.021 0.000 0.224 49 G HA3 -0.190 3.783 3.960 0.021 0.000 0.224 49 G C -0.688 174.194 174.900 -0.030 0.000 0.807 49 G CA -0.362 44.718 45.100 -0.033 0.000 1.113 49 G HN 0.547 nan 8.290 nan 0.000 0.327 50 L N 1.668 122.879 121.223 -0.021 0.000 2.342 50 L HA 0.707 5.060 4.340 0.021 0.000 0.271 50 L C 0.638 177.506 176.870 -0.004 0.000 1.008 50 L CA -1.024 53.808 54.840 -0.013 0.000 0.818 50 L CB 2.393 44.446 42.059 -0.012 0.000 1.296 50 L HN 0.437 nan 8.230 nan 0.000 0.427 51 T N 0.307 114.862 114.554 0.001 0.000 2.925 51 T HA 0.350 4.713 4.350 0.021 0.000 0.285 51 T C 0.782 175.486 174.700 0.007 0.000 1.021 51 T CA -0.404 61.698 62.100 0.003 0.000 1.042 51 T CB 1.922 70.792 68.868 0.003 0.000 1.037 51 T HN 0.689 nan 8.240 nan 0.000 0.481 52 A N 0.816 123.640 122.820 0.008 0.000 2.261 52 A HA 0.423 4.756 4.320 0.021 0.000 0.208 52 A C 1.947 179.536 177.584 0.008 0.000 1.223 52 A CA 0.658 52.701 52.037 0.010 0.000 0.833 52 A CB -0.816 18.191 19.000 0.011 0.000 0.830 52 A HN 0.883 nan 8.150 nan 0.000 0.483 53 A N -0.600 122.224 122.820 0.006 0.000 2.044 53 A HA 0.357 4.689 4.320 0.021 0.000 0.213 53 A C 1.090 178.676 177.584 0.004 0.000 1.169 53 A CA -0.040 51.999 52.037 0.004 0.000 0.724 53 A CB -0.277 18.725 19.000 0.004 0.000 0.840 53 A HN 0.508 nan 8.150 nan 0.000 0.463 54 M N 0.824 120.427 119.600 0.005 0.000 2.269 54 M HA 0.082 4.575 4.480 0.021 0.000 0.350 54 M C 0.744 177.046 176.300 0.003 0.000 1.429 54 M CA 0.272 55.574 55.300 0.004 0.000 1.063 54 M CB 0.545 33.149 32.600 0.007 0.000 1.841 54 M HN 0.082 nan 8.290 nan 0.000 0.455 55 K N 0.834 121.232 120.400 -0.002 0.000 2.365 55 K HA 0.156 4.489 4.320 0.021 0.000 0.195 55 K C 0.217 176.808 176.600 -0.014 0.000 1.079 55 K CA 0.385 56.668 56.287 -0.006 0.000 0.979 55 K CB 0.902 33.397 32.500 -0.009 0.000 0.929 55 K HN 0.616 nan 8.250 nan 0.000 0.523 56 S N 1.398 117.086 115.700 -0.020 0.000 2.775 56 S HA 0.355 4.838 4.470 0.021 0.000 0.277 56 S C -1.624 172.962 174.600 -0.024 0.000 1.156 56 S CA -0.749 57.429 58.200 -0.036 0.000 1.081 56 S CB 0.381 63.545 63.200 -0.059 0.000 1.054 56 S HN 0.068 nan 8.310 nan 0.000 0.482 57 L N 4.365 125.578 121.223 -0.016 0.000 2.289 57 L HA 0.724 5.077 4.340 0.021 0.000 0.285 57 L C -0.773 176.092 176.870 -0.008 0.000 1.049 57 L CA 0.092 54.933 54.840 0.000 0.000 0.804 57 L CB 1.473 43.541 42.059 0.014 0.000 1.195 57 L HN 0.675 nan 8.230 nan 0.000 0.428 58 D N 5.187 125.591 120.400 0.007 0.000 2.440 58 D HA 0.279 4.931 4.640 0.021 0.000 0.252 58 D C -0.794 175.528 176.300 0.035 0.000 1.180 58 D CA -0.147 53.853 54.000 0.001 0.000 0.894 58 D CB 0.588 41.384 40.800 -0.007 0.000 1.111 58 D HN 0.571 nan 8.370 nan 0.000 0.544 59 L N 2.376 123.617 121.223 0.030 0.000 3.047 59 L HA 0.326 4.679 4.340 0.021 0.000 0.242 59 L C 0.396 177.260 176.870 -0.009 0.000 1.315 59 L CA -0.472 54.412 54.840 0.074 0.000 1.042 59 L CB 0.466 42.602 42.059 0.128 0.000 1.420 59 L HN 0.083 nan 8.230 nan 0.000 0.517 60 S N 0.168 115.822 115.700 -0.077 0.000 2.584 60 S HA 0.502 4.985 4.470 0.021 0.000 0.273 60 S C 0.221 174.716 174.600 -0.175 0.000 1.311 60 S CA -0.226 57.769 58.200 -0.342 0.000 1.034 60 S CB 0.367 63.163 63.200 -0.673 0.000 0.939 60 S HN 0.468 nan 8.310 nan 0.000 0.513 61 F N 0.129 120.066 119.950 -0.022 0.000 3.028 61 F HA -0.225 4.312 4.527 0.018 0.000 0.306 61 F C -0.009 175.764 175.800 -0.045 0.000 0.896 61 F CA -0.181 57.800 58.000 -0.033 0.000 1.184 61 F CB -2.444 36.533 39.000 -0.038 0.000 1.213 61 F HN 0.453 nan 8.300 nan 0.000 0.629 62 N N 0.048 118.783 118.700 0.058 0.000 3.091 62 N HA 0.566 5.319 4.740 0.021 0.000 0.329 62 N C -0.291 175.253 175.510 0.057 0.000 1.430 62 N CA -1.225 51.854 53.050 0.049 0.000 0.755 62 N CB 0.675 39.200 38.487 0.063 0.000 1.626 62 N HN 0.142 nan 8.380 nan 0.000 0.614 63 K N 0.906 121.355 120.400 0.081 0.000 3.129 63 K HA 0.368 4.701 4.320 0.021 0.000 0.224 63 K C -0.288 176.367 176.600 0.091 0.000 1.249 63 K CA -0.134 56.202 56.287 0.080 0.000 1.177 63 K CB -0.056 32.496 32.500 0.086 0.000 1.393 63 K HN 0.423 nan 8.250 nan 0.000 0.459 64 I N 2.067 122.683 120.570 0.076 0.000 2.426 64 I HA -0.085 4.098 4.170 0.021 0.000 0.282 64 I C 1.816 177.961 176.117 0.046 0.000 1.064 64 I CA 0.493 61.832 61.300 0.066 0.000 2.047 64 I CB -1.054 36.972 38.000 0.043 0.000 1.497 64 I HN 0.302 nan 8.210 nan 0.000 0.899 65 T N 3.003 117.606 114.554 0.081 0.000 2.737 65 T HA -0.253 4.110 4.350 0.021 0.000 0.269 65 T C 0.392 175.178 174.700 0.142 0.000 1.040 65 T CA 1.647 63.810 62.100 0.105 0.000 1.142 65 T CB -0.064 68.878 68.868 0.123 0.000 0.861 65 T HN 0.428 nan 8.240 nan 0.000 0.456 66 Y N 0.270 120.560 120.300 -0.016 0.000 2.361 66 Y HA 0.587 5.129 4.550 -0.013 0.000 0.337 66 Y C -1.090 174.764 175.900 -0.078 0.000 0.965 66 Y CA -1.940 56.134 58.100 -0.044 0.000 1.091 66 Y CB 1.085 39.526 38.460 -0.032 0.000 1.182 66 Y HN 0.067 nan 8.280 nan 0.000 0.450 67 I N 6.108 126.264 120.570 -0.690 0.000 2.354 67 I HA 0.547 4.730 4.170 0.021 0.000 0.292 67 I C 0.652 176.125 176.117 -1.072 0.000 0.989 67 I CA -0.353 60.544 61.300 -0.672 0.000 1.188 67 I CB 1.458 39.152 38.000 -0.510 0.000 1.342 67 I HN 0.814 nan 8.210 nan 0.000 0.457 68 G N 2.722 111.116 108.800 -0.677 0.000 2.642 68 G HA2 0.238 4.211 3.960 0.021 0.000 0.291 68 G HA3 0.238 4.211 3.960 0.021 0.000 0.291 68 G C 0.365 175.053 174.900 -0.354 0.000 1.345 68 G CA -0.152 44.669 45.100 -0.465 0.000 1.043 68 G HN 0.678 nan 8.290 nan 0.000 0.528 69 H N -0.784 118.199 119.070 -0.144 0.000 2.326 69 H HA -0.005 4.563 4.556 0.020 0.000 0.301 69 H C 2.592 177.838 175.328 -0.137 0.000 1.081 69 H CA 2.048 58.003 56.048 -0.154 0.000 1.334 69 H CB 0.224 29.928 29.762 -0.096 0.000 1.385 69 H HN 0.507 nan 8.280 nan 0.000 0.504 70 G N -0.672 108.151 108.800 0.037 0.000 2.939 70 G HA2 -0.102 3.871 3.960 0.021 0.000 0.210 70 G HA3 -0.102 3.871 3.960 0.021 0.000 0.210 70 G C 0.732 175.613 174.900 -0.031 0.000 1.160 70 G CA 0.224 45.325 45.100 0.002 0.000 0.770 70 G HN 0.252 nan 8.290 nan 0.000 0.543 71 D N 0.822 121.181 120.400 -0.069 0.000 2.203 71 D HA -0.095 4.558 4.640 0.021 0.000 0.199 71 D C 1.477 177.743 176.300 -0.055 0.000 0.997 71 D CA 0.963 54.916 54.000 -0.077 0.000 0.863 71 D CB 0.036 40.758 40.800 -0.130 0.000 0.928 71 D HN 0.328 nan 8.370 nan 0.000 0.458 72 L N -0.015 121.180 121.223 -0.047 0.000 3.193 72 L HA 0.315 4.668 4.340 0.021 0.000 0.305 72 L C 1.341 178.227 176.870 0.025 0.000 1.299 72 L CA -0.345 54.496 54.840 0.001 0.000 0.904 72 L CB 0.796 42.881 42.059 0.043 0.000 1.331 72 L HN -0.227 nan 8.230 nan 0.000 0.588 73 R N 0.456 120.965 120.500 0.015 0.000 2.140 73 R HA 0.188 4.541 4.340 0.021 0.000 0.213 73 R C 2.137 178.454 176.300 0.028 0.000 1.059 73 R CA 1.066 57.184 56.100 0.030 0.000 1.000 73 R CB 0.036 30.349 30.300 0.023 0.000 0.910 73 R HN 0.426 nan 8.270 nan 0.000 0.455 74 A N 1.474 124.304 122.820 0.016 0.000 1.858 74 A HA -0.156 4.176 4.320 0.021 0.000 0.216 74 A C 1.763 179.358 177.584 0.018 0.000 1.190 74 A CA 1.498 53.542 52.037 0.013 0.000 0.617 74 A CB -0.804 18.198 19.000 0.004 0.000 0.827 74 A HN 0.554 nan 8.150 nan 0.000 0.443 75 C N -0.889 118.424 119.300 0.021 0.000 3.506 75 C HA 0.680 5.153 4.460 0.021 0.000 0.578 75 C C 1.642 176.652 174.990 0.034 0.000 1.153 75 C CA -0.833 58.199 59.018 0.024 0.000 1.248 75 C CB -1.941 25.812 27.740 0.022 0.000 1.532 75 C HN 0.594 nan 8.230 nan 0.000 0.646 76 A N 1.104 123.944 122.820 0.034 0.000 2.239 76 A HA 0.001 4.334 4.320 0.021 0.000 0.209 76 A C 1.769 179.374 177.584 0.034 0.000 1.171 76 A CA 0.924 52.986 52.037 0.042 0.000 0.768 76 A CB -0.364 18.660 19.000 0.040 0.000 0.790 76 A HN 0.718 nan 8.150 nan 0.000 0.478 77 N N -0.591 118.124 118.700 0.026 0.000 2.214 77 N HA 0.148 4.900 4.740 0.021 0.000 0.214 77 N C -0.391 175.130 175.510 0.018 0.000 1.132 77 N CA -0.165 52.897 53.050 0.021 0.000 0.856 77 N CB 0.134 38.630 38.487 0.015 0.000 1.020 77 N HN 0.371 nan 8.380 nan 0.000 0.509 78 L N 1.417 122.654 121.223 0.023 0.000 2.462 78 L HA 0.047 4.400 4.340 0.021 0.000 0.272 78 L C 1.346 178.227 176.870 0.018 0.000 1.166 78 L CA 0.716 55.567 54.840 0.018 0.000 0.880 78 L CB 0.803 42.877 42.059 0.025 0.000 1.142 78 L HN 0.084 nan 8.230 nan 0.000 0.473 79 Q N 2.617 122.422 119.800 0.008 0.000 2.391 79 Q HA 0.250 4.603 4.340 0.021 0.000 0.211 79 Q C -0.821 175.191 176.000 0.019 0.000 0.908 79 Q CA 0.257 56.068 55.803 0.013 0.000 0.920 79 Q CB 0.867 29.607 28.738 0.003 0.000 1.056 79 Q HN 0.494 nan 8.270 nan 0.000 0.523 80 V N 1.697 121.609 119.914 -0.003 0.000 2.567 80 V HA 0.260 4.393 4.120 0.021 0.000 0.298 80 V C -1.554 174.527 176.094 -0.022 0.000 1.047 80 V CA -0.775 61.512 62.300 -0.021 0.000 0.880 80 V CB 1.968 33.712 31.823 -0.130 0.000 1.009 80 V HN 0.040 nan 8.190 nan 0.000 0.429 81 L N 7.036 128.265 121.223 0.010 0.000 2.345 81 L HA 0.665 5.018 4.340 0.021 0.000 0.274 81 L C -0.731 176.145 176.870 0.010 0.000 0.999 81 L CA -0.042 54.797 54.840 -0.001 0.000 0.849 81 L CB 1.135 43.185 42.059 -0.014 0.000 1.220 81 L HN 0.578 nan 8.230 nan 0.000 0.422 82 I N 6.618 127.177 120.570 -0.018 0.000 2.306 82 I HA 0.234 4.417 4.170 0.021 0.000 0.288 82 I C 0.301 176.385 176.117 -0.056 0.000 1.036 82 I CA -0.023 61.261 61.300 -0.028 0.000 1.221 82 I CB 1.089 39.047 38.000 -0.069 0.000 1.385 82 I HN 0.609 nan 8.210 nan 0.000 0.472 83 L N 6.358 127.542 121.223 -0.065 0.000 3.168 83 L HA 0.255 4.608 4.340 0.021 0.000 0.277 83 L C 0.869 177.638 176.870 -0.168 0.000 1.245 83 L CA -0.191 54.591 54.840 -0.096 0.000 1.035 83 L CB 0.046 42.074 42.059 -0.053 0.000 1.399 83 L HN 0.496 nan 8.230 nan 0.000 0.580 84 K N 0.746 121.015 120.400 -0.218 0.000 2.524 84 K HA -0.086 4.246 4.320 0.021 0.000 0.279 84 K C 0.999 177.322 176.600 -0.461 0.000 0.993 84 K CA 0.656 56.778 56.287 -0.275 0.000 1.030 84 K CB 0.468 32.818 32.500 -0.250 0.000 0.891 84 K HN 0.058 nan 8.250 nan 0.000 0.488 85 S N 1.704 117.236 115.700 -0.279 0.000 3.533 85 S HA -0.164 4.319 4.470 0.021 0.000 0.347 85 S C 0.094 174.569 174.600 -0.209 0.000 1.101 85 S CA 0.812 58.883 58.200 -0.215 0.000 1.009 85 S CB -0.771 62.362 63.200 -0.111 0.000 0.916 85 S HN 0.763 nan 8.310 nan 0.000 0.496 86 S N 0.419 115.991 115.700 -0.212 0.000 2.298 86 S HA 0.410 4.893 4.470 0.021 0.000 0.245 86 S C 1.264 175.778 174.600 -0.144 0.000 1.230 86 S CA -0.515 57.609 58.200 -0.127 0.000 1.009 86 S CB 0.161 63.302 63.200 -0.098 0.000 1.019 86 S HN 0.478 nan 8.310 nan 0.000 0.459 87 R N 0.453 120.884 120.500 -0.116 0.000 2.629 87 R HA 0.366 4.718 4.340 0.021 0.000 0.386 87 R C -0.685 175.522 176.300 -0.153 0.000 1.071 87 R CA -0.117 55.879 56.100 -0.173 0.000 1.104 87 R CB -0.453 29.854 30.300 0.012 0.000 1.370 87 R HN 0.477 nan 8.270 nan 0.000 0.574 88 I N 3.465 123.950 120.570 -0.142 0.000 2.752 88 I HA -0.143 4.040 4.170 0.021 0.000 0.286 88 I C 1.339 177.451 176.117 -0.008 0.000 1.180 88 I CA 0.490 61.750 61.300 -0.067 0.000 1.404 88 I CB 0.216 38.160 38.000 -0.095 0.000 1.389 88 I HN 0.138 nan 8.210 nan 0.000 0.549 89 N N 3.812 122.560 118.700 0.081 0.000 2.210 89 N HA 0.008 4.761 4.740 0.021 0.000 0.203 89 N C 0.191 175.792 175.510 0.152 0.000 1.175 89 N CA 0.008 53.152 53.050 0.156 0.000 0.894 89 N CB 0.937 39.555 38.487 0.218 0.000 1.041 89 N HN 0.590 nan 8.380 nan 0.000 0.506 90 T N -0.150 114.477 114.554 0.120 0.000 3.172 90 T HA 0.564 4.927 4.350 0.021 0.000 0.320 90 T C -1.764 172.907 174.700 -0.048 0.000 1.085 90 T CA -0.731 61.450 62.100 0.134 0.000 1.052 90 T CB 0.447 69.446 68.868 0.217 0.000 1.107 90 T HN 0.079 nan 8.240 nan 0.000 0.458 91 I N 4.049 124.575 120.570 -0.072 0.000 2.410 91 I HA 0.362 4.545 4.170 0.021 0.000 0.286 91 I C 0.358 176.369 176.117 -0.177 0.000 1.009 91 I CA -1.000 60.074 61.300 -0.377 0.000 1.111 91 I CB 1.714 39.226 38.000 -0.814 0.000 1.262 91 I HN 0.584 nan 8.210 nan 0.000 0.443 92 E N 3.772 123.721 120.200 -0.418 0.000 2.508 92 E HA -0.059 4.303 4.350 0.021 0.000 0.266 92 E C 1.209 177.677 176.600 -0.220 0.000 1.010 92 E CA 0.469 56.642 56.400 -0.379 0.000 0.955 92 E CB 0.869 30.070 29.700 -0.831 0.000 0.946 92 E HN 0.841 nan 8.360 nan 0.000 0.454 93 G N 2.781 111.505 108.800 -0.127 0.000 2.442 93 G HA2 -0.271 3.701 3.960 0.021 0.000 0.219 93 G HA3 -0.271 3.701 3.960 0.021 0.000 0.219 93 G C 0.703 175.510 174.900 -0.154 0.000 1.141 93 G CA 1.128 46.198 45.100 -0.050 0.000 0.763 93 G HN 0.563 nan 8.290 nan 0.000 0.554 94 D N 0.489 120.613 120.400 -0.459 0.000 2.358 94 D HA 0.410 5.062 4.640 0.021 0.000 0.224 94 D C 1.986 177.955 176.300 -0.553 0.000 1.123 94 D CA 0.466 53.901 54.000 -0.942 0.000 0.833 94 D CB -0.082 39.991 40.800 -1.212 0.000 0.946 94 D HN 0.236 nan 8.370 nan 0.000 0.505 95 A N 0.295 122.781 122.820 -0.556 0.000 1.986 95 A HA -0.158 4.175 4.320 0.021 0.000 0.220 95 A C 1.213 178.505 177.584 -0.487 0.000 1.171 95 A CA 1.023 52.648 52.037 -0.686 0.000 0.640 95 A CB -0.750 17.545 19.000 -1.175 0.000 0.811 95 A HN 0.274 nan 8.150 nan 0.000 0.451 96 F N -3.275 116.671 119.950 -0.007 0.000 2.678 96 F HA 0.276 4.815 4.527 0.021 0.000 0.305 96 F C 1.291 177.225 175.800 0.223 0.000 1.090 96 F CA -1.129 56.920 58.000 0.082 0.000 1.272 96 F CB -0.382 38.661 39.000 0.072 0.000 1.060 96 F HN 0.142 nan 8.300 nan 0.000 0.576 97 Y N 0.861 121.241 120.300 0.132 0.000 2.241 97 Y HA -0.240 4.325 4.550 0.024 0.000 0.286 97 Y C 2.550 178.502 175.900 0.087 0.000 1.166 97 Y CA 1.136 59.297 58.100 0.101 0.000 1.203 97 Y CB -1.133 37.365 38.460 0.064 0.000 0.977 97 Y HN 0.150 nan 8.280 nan 0.000 0.529 98 S N -1.475 114.366 115.700 0.236 0.000 2.556 98 S HA 0.125 4.607 4.470 0.021 0.000 0.216 98 S C 1.053 175.724 174.600 0.118 0.000 0.970 98 S CA -0.137 58.149 58.200 0.144 0.000 0.912 98 S CB -0.620 62.646 63.200 0.110 0.000 0.790 98 S HN 0.331 nan 8.310 nan 0.000 0.504 99 L N 2.034 123.345 121.223 0.147 0.000 2.715 99 L HA 0.325 4.678 4.340 0.021 0.000 0.238 99 L C 2.029 178.949 176.870 0.082 0.000 1.212 99 L CA -0.164 54.745 54.840 0.115 0.000 1.017 99 L CB -0.542 41.602 42.059 0.142 0.000 1.269 99 L HN 0.484 nan 8.230 nan 0.000 0.452 100 G N -0.835 108.007 108.800 0.070 0.000 2.601 100 G HA2 -0.193 3.779 3.960 0.021 0.000 0.214 100 G HA3 -0.193 3.779 3.960 0.021 0.000 0.214 100 G C 1.308 176.230 174.900 0.037 0.000 1.132 100 G CA 0.741 45.870 45.100 0.049 0.000 0.761 100 G HN 0.413 nan 8.290 nan 0.000 0.550 101 S N -1.083 114.640 115.700 0.038 0.000 2.603 101 S HA 0.227 4.710 4.470 0.021 0.000 0.232 101 S C 0.342 174.960 174.600 0.030 0.000 1.016 101 S CA -0.679 57.538 58.200 0.029 0.000 0.976 101 S CB 0.405 63.620 63.200 0.025 0.000 0.921 101 S HN 0.261 nan 8.310 nan 0.000 0.516 102 L N 3.835 125.079 121.223 0.035 0.000 2.462 102 L HA 0.189 4.541 4.340 0.021 0.000 0.272 102 L C 0.957 177.847 176.870 0.034 0.000 1.166 102 L CA 0.759 55.618 54.840 0.031 0.000 0.880 102 L CB 0.386 42.458 42.059 0.022 0.000 1.142 102 L HN 0.222 nan 8.230 nan 0.000 0.473 103 E N 2.548 122.777 120.200 0.048 0.000 2.453 103 E HA 0.046 4.409 4.350 0.021 0.000 0.211 103 E C -0.247 176.411 176.600 0.097 0.000 0.897 103 E CA -0.069 56.364 56.400 0.056 0.000 1.063 103 E CB 0.242 29.971 29.700 0.049 0.000 1.080 103 E HN 0.727 nan 8.360 nan 0.000 0.512 104 H N 0.750 119.823 119.070 0.004 0.000 2.638 104 H HA 0.460 5.028 4.556 0.020 0.000 0.317 104 H C -1.683 173.658 175.328 0.022 0.000 1.006 104 H CA -0.983 55.077 56.048 0.020 0.000 1.222 104 H CB 1.231 30.919 29.762 -0.122 0.000 1.419 104 H HN 0.032 nan 8.280 nan 0.000 0.489 105 L N 5.185 126.471 121.223 0.105 0.000 2.372 105 L HA 0.374 4.727 4.340 0.021 0.000 0.274 105 L C -1.536 175.386 176.870 0.087 0.000 0.988 105 L CA -0.494 54.374 54.840 0.046 0.000 0.833 105 L CB 1.644 43.640 42.059 -0.105 0.000 1.236 105 L HN 0.684 nan 8.230 nan 0.000 0.410 106 D N 4.922 125.394 120.400 0.121 0.000 2.454 106 D HA 0.310 4.963 4.640 0.021 0.000 0.247 106 D C -0.088 176.230 176.300 0.029 0.000 1.129 106 D CA -0.112 53.968 54.000 0.134 0.000 0.877 106 D CB 0.889 41.822 40.800 0.222 0.000 1.082 106 D HN 0.667 nan 8.370 nan 0.000 0.537 107 L N 2.241 123.471 121.223 0.012 0.000 2.769 107 L HA 0.152 4.505 4.340 0.021 0.000 0.240 107 L C 0.938 177.813 176.870 0.007 0.000 1.163 107 L CA -0.344 54.495 54.840 -0.002 0.000 0.962 107 L CB 0.000 42.072 42.059 0.021 0.000 1.258 107 L HN 0.295 nan 8.230 nan 0.000 0.513 108 S N -0.661 115.044 115.700 0.008 0.000 2.558 108 S HA -0.038 4.444 4.470 0.021 0.000 0.287 108 S C 0.430 175.020 174.600 -0.017 0.000 1.321 108 S CA -0.210 57.996 58.200 0.009 0.000 1.048 108 S CB 0.540 63.746 63.200 0.011 0.000 0.844 108 S HN 0.422 nan 8.310 nan 0.000 0.512 109 D N 0.640 121.041 120.400 0.001 0.000 2.873 109 D HA -0.129 4.524 4.640 0.021 0.000 0.228 109 D C -0.592 175.677 176.300 -0.051 0.000 1.122 109 D CA 1.077 55.072 54.000 -0.007 0.000 0.758 109 D CB -2.013 38.785 40.800 -0.003 0.000 1.094 109 D HN 0.728 nan 8.370 nan 0.000 0.434 110 N N -1.152 117.521 118.700 -0.045 0.000 2.906 110 N HA 0.468 5.220 4.740 0.021 0.000 0.327 110 N C 0.199 175.683 175.510 -0.044 0.000 1.344 110 N CA -0.606 52.349 53.050 -0.159 0.000 0.823 110 N CB 0.583 39.003 38.487 -0.112 0.000 1.351 110 N HN 0.128 nan 8.380 nan 0.000 0.604 111 H N -0.155 118.960 119.070 0.076 0.000 2.591 111 H HA 0.285 4.853 4.556 0.020 0.000 0.302 111 H C -0.521 174.883 175.328 0.127 0.000 1.163 111 H CA -0.529 55.573 56.048 0.089 0.000 1.049 111 H CB 0.086 29.892 29.762 0.073 0.000 1.543 111 H HN -0.012 nan 8.280 nan 0.000 0.523 112 L N 1.790 123.162 121.223 0.248 0.000 2.623 112 L HA -0.007 4.345 4.340 0.021 0.000 0.281 112 L C 1.111 178.181 176.870 0.333 0.000 1.150 112 L CA 0.537 55.555 54.840 0.297 0.000 0.965 112 L CB -0.004 42.256 42.059 0.336 0.000 1.303 112 L HN 0.359 nan 8.230 nan 0.000 0.467 113 S N 0.397 116.253 115.700 0.260 0.000 2.474 113 S HA 0.007 4.490 4.470 0.021 0.000 0.235 113 S C 0.723 175.465 174.600 0.237 0.000 0.997 113 S CA 0.746 59.076 58.200 0.218 0.000 0.949 113 S CB -0.116 63.175 63.200 0.150 0.000 0.766 113 S HN 0.786 nan 8.310 nan 0.000 0.517 114 S N -0.398 115.441 115.700 0.231 0.000 2.611 114 S HA 0.584 5.067 4.470 0.021 0.000 0.270 114 S C -1.422 173.204 174.600 0.044 0.000 1.131 114 S CA -1.226 57.057 58.200 0.138 0.000 0.826 114 S CB 0.703 63.940 63.200 0.063 0.000 1.095 114 S HN 0.127 nan 8.310 nan 0.000 0.461 115 L N 1.311 122.449 121.223 -0.142 0.000 2.330 115 L HA 0.825 5.177 4.340 0.021 0.000 0.271 115 L C 0.083 176.546 176.870 -0.678 0.000 1.013 115 L CA -0.856 53.770 54.840 -0.356 0.000 0.816 115 L CB 1.939 43.867 42.059 -0.217 0.000 1.287 115 L HN 0.783 nan 8.230 nan 0.000 0.435 116 S N -0.752 114.113 115.700 -1.391 0.000 2.472 116 S HA 0.251 4.734 4.470 0.021 0.000 0.303 116 S C 0.860 174.955 174.600 -0.842 0.000 1.099 116 S CA -0.507 56.990 58.200 -1.172 0.000 1.077 116 S CB 1.555 63.805 63.200 -1.583 0.000 1.031 116 S HN 0.720 nan 8.310 nan 0.000 0.487 117 S N 3.252 118.670 115.700 -0.470 0.000 2.474 117 S HA -0.049 4.434 4.470 0.021 0.000 0.235 117 S C 1.522 176.001 174.600 -0.202 0.000 0.997 117 S CA 0.951 58.992 58.200 -0.266 0.000 0.949 117 S CB -0.228 62.857 63.200 -0.191 0.000 0.766 117 S HN 0.541 nan 8.310 nan 0.000 0.517 118 S N 0.395 115.921 115.700 -0.290 0.000 2.446 118 S HA 0.077 4.559 4.470 0.021 0.000 0.225 118 S C 1.147 175.799 174.600 0.087 0.000 1.016 118 S CA 0.259 58.419 58.200 -0.067 0.000 0.943 118 S CB -0.352 62.810 63.200 -0.063 0.000 0.786 118 S HN 0.675 nan 8.310 nan 0.000 0.508 119 W N 1.010 122.141 121.300 -0.281 0.000 2.374 119 W HA 0.082 4.760 4.660 0.030 0.000 0.288 119 W C 1.049 177.462 176.519 -0.176 0.000 1.218 119 W CA 0.337 57.486 57.345 -0.327 0.000 1.245 119 W CB -1.013 27.942 29.460 -0.841 0.000 1.126 119 W HN 0.336 nan 8.180 nan 0.000 0.545 120 F N -1.055 119.122 119.950 0.378 0.000 2.720 120 F HA 0.333 4.873 4.527 0.021 0.000 0.301 120 F C 2.286 178.170 175.800 0.140 0.000 1.103 120 F CA 0.082 58.222 58.000 0.233 0.000 1.291 120 F CB -1.247 37.875 39.000 0.204 0.000 1.086 120 F HN -0.197 nan 8.300 nan 0.000 0.592 121 G N 2.376 111.312 108.800 0.227 0.000 2.446 121 G HA2 -0.204 3.768 3.960 0.021 0.000 0.217 121 G HA3 -0.204 3.768 3.960 0.021 0.000 0.217 121 G C -0.232 174.686 174.900 0.030 0.000 1.168 121 G CA 0.859 46.017 45.100 0.096 0.000 0.771 121 G HN 0.250 nan 8.290 nan 0.000 0.551 122 P HA 0.084 nan 4.420 nan 0.000 0.233 122 P C 0.920 178.242 177.300 0.037 0.000 1.167 122 P CA 0.404 63.463 63.100 -0.069 0.000 0.770 122 P CB -0.049 31.558 31.700 -0.156 0.000 0.837 123 L N 0.984 122.271 121.223 0.106 0.000 2.955 123 L HA 0.134 4.486 4.340 0.021 0.000 0.238 123 L C 1.819 178.729 176.870 0.067 0.000 1.359 123 L CA -0.030 54.870 54.840 0.099 0.000 1.214 123 L CB -0.921 41.218 42.059 0.134 0.000 1.600 123 L HN -0.028 nan 8.230 nan 0.000 0.442 124 S N -2.284 113.442 115.700 0.044 0.000 2.520 124 S HA -0.167 4.316 4.470 0.021 0.000 0.249 124 S C 1.587 176.201 174.600 0.023 0.000 0.983 124 S CA 1.293 59.510 58.200 0.029 0.000 0.958 124 S CB -0.153 63.056 63.200 0.016 0.000 0.750 124 S HN 0.493 nan 8.310 nan 0.000 0.527 125 S N 0.355 116.072 115.700 0.027 0.000 2.540 125 S HA 0.377 4.860 4.470 0.021 0.000 0.218 125 S C 0.132 174.744 174.600 0.020 0.000 0.977 125 S CA -0.550 57.663 58.200 0.022 0.000 0.918 125 S CB -0.166 63.049 63.200 0.024 0.000 0.806 125 S HN 0.457 nan 8.310 nan 0.000 0.496 126 L N 2.640 123.873 121.223 0.018 0.000 2.410 126 L HA 0.196 4.549 4.340 0.021 0.000 0.273 126 L C 0.871 177.732 176.870 -0.014 0.000 1.144 126 L CA 0.863 55.705 54.840 0.004 0.000 0.863 126 L CB 0.454 42.509 42.059 -0.006 0.000 1.140 126 L HN -0.057 nan 8.230 nan 0.000 0.463 127 K N 4.039 124.440 120.400 0.001 0.000 2.350 127 K HA 0.088 4.421 4.320 0.021 0.000 0.196 127 K C -0.729 175.860 176.600 -0.019 0.000 1.084 127 K CA 0.170 56.455 56.287 -0.003 0.000 0.967 127 K CB 0.612 33.133 32.500 0.034 0.000 0.950 127 K HN 0.551 nan 8.250 nan 0.000 0.512 128 Y N 0.835 121.017 120.300 -0.197 0.000 2.373 128 Y HA 0.445 5.007 4.550 0.019 0.000 0.336 128 Y C -1.846 173.836 175.900 -0.364 0.000 0.979 128 Y CA -1.459 56.452 58.100 -0.314 0.000 1.080 128 Y CB 1.498 39.684 38.460 -0.456 0.000 1.190 128 Y HN -0.152 nan 8.280 nan 0.000 0.446 129 L N 7.292 128.045 121.223 -0.783 0.000 2.518 129 L HA 0.478 4.830 4.340 0.021 0.000 0.262 129 L C -2.103 174.359 176.870 -0.680 0.000 0.982 129 L CA -0.376 54.119 54.840 -0.575 0.000 0.873 129 L CB 1.214 42.964 42.059 -0.515 0.000 1.198 129 L HN 0.742 nan 8.230 nan 0.000 0.427 130 N N 5.034 123.432 118.700 -0.504 0.000 2.457 130 N HA 0.383 5.136 4.740 0.021 0.000 0.250 130 N C -0.110 175.326 175.510 -0.124 0.000 0.982 130 N CA -0.291 52.564 53.050 -0.325 0.000 0.941 130 N CB 0.985 39.385 38.487 -0.145 0.000 1.120 130 N HN 0.810 nan 8.380 nan 0.000 0.505 131 L N 2.251 123.412 121.223 -0.103 0.000 2.693 131 L HA 0.317 4.670 4.340 0.021 0.000 0.235 131 L C 0.828 177.771 176.870 0.121 0.000 1.127 131 L CA -0.055 54.808 54.840 0.037 0.000 0.914 131 L CB 0.010 42.093 42.059 0.040 0.000 1.193 131 L HN 0.445 nan 8.230 nan 0.000 0.502 132 M N -0.192 119.416 119.600 0.014 0.000 2.252 132 M HA 0.077 4.570 4.480 0.021 0.000 0.321 132 M C 1.356 177.653 176.300 -0.004 0.000 1.070 132 M CA 1.615 56.901 55.300 -0.024 0.000 1.143 132 M CB 0.140 32.687 32.600 -0.088 0.000 1.498 132 M HN 0.256 nan 8.290 nan 0.000 0.445 133 G N 1.415 110.180 108.800 -0.060 0.000 2.159 133 G HA2 -0.216 3.756 3.960 0.021 0.000 0.227 133 G HA3 -0.216 3.756 3.960 0.021 0.000 0.227 133 G C -0.527 174.368 174.900 -0.008 0.000 0.986 133 G CA -0.282 44.800 45.100 -0.032 0.000 0.651 133 G HN 0.707 nan 8.290 nan 0.000 0.523 134 N N 0.678 119.356 118.700 -0.036 0.000 2.362 134 N HA 0.570 5.322 4.740 0.021 0.000 0.298 134 N C -2.402 172.990 175.510 -0.197 0.000 1.048 134 N CA -1.786 51.293 53.050 0.048 0.000 0.858 134 N CB 2.095 40.804 38.487 0.371 0.000 1.218 134 N HN -0.141 nan 8.380 nan 0.000 0.488 135 P HA -0.031 nan 4.420 nan 0.000 0.285 135 P C -1.050 176.274 177.300 0.041 0.000 1.521 135 P CA 0.283 63.375 63.100 -0.013 0.000 0.792 135 P CB -0.754 30.988 31.700 0.070 0.000 1.613 136 Y N -2.134 118.249 120.300 0.137 0.000 2.304 136 Y HA 0.297 4.859 4.550 0.019 0.000 0.327 136 Y C 1.726 177.743 175.900 0.195 0.000 1.209 136 Y CA -0.816 57.373 58.100 0.148 0.000 1.299 136 Y CB 0.363 38.914 38.460 0.151 0.000 1.249 136 Y HN -0.133 nan 8.280 nan 0.000 0.519 137 Q N 1.214 121.193 119.800 0.299 0.000 2.250 137 Q HA 0.085 4.438 4.340 0.021 0.000 0.200 137 Q C 0.021 176.143 176.000 0.202 0.000 0.941 137 Q CA 1.238 57.151 55.803 0.183 0.000 0.872 137 Q CB 0.379 29.168 28.738 0.083 0.000 0.965 137 Q HN 1.007 nan 8.270 nan 0.000 0.480 138 T N -4.415 110.336 114.554 0.328 0.000 2.647 138 T HA 0.356 4.719 4.350 0.021 0.000 0.295 138 T C 0.116 175.046 174.700 0.383 0.000 1.126 138 T CA -0.820 61.461 62.100 0.301 0.000 1.040 138 T CB 0.212 69.107 68.868 0.046 0.000 1.472 138 T HN 0.097 nan 8.240 nan 0.000 0.500 139 L N 1.487 122.838 121.223 0.212 0.000 2.688 139 L HA 0.494 4.847 4.340 0.021 0.000 0.234 139 L C 1.413 178.200 176.870 -0.138 0.000 1.192 139 L CA 0.230 55.043 54.840 -0.044 0.000 0.984 139 L CB -1.017 40.965 42.059 -0.127 0.000 1.232 139 L HN 1.250 nan 8.230 nan 0.000 0.465 140 G N 0.202 108.956 108.800 -0.077 0.000 2.860 140 G HA2 -0.251 3.721 3.960 0.021 0.000 0.553 140 G HA3 -0.251 3.721 3.960 0.021 0.000 0.553 140 G C 0.347 175.171 174.900 -0.127 0.000 1.439 140 G CA -0.286 44.747 45.100 -0.112 0.000 0.879 140 G HN 0.202 nan 8.290 nan 0.000 0.545 141 V N -2.662 117.180 119.914 -0.120 0.000 3.623 141 V HA 0.501 4.634 4.120 0.021 0.000 0.271 141 V C 0.874 176.894 176.094 -0.124 0.000 1.248 141 V CA 1.644 63.879 62.300 -0.109 0.000 1.156 141 V CB -0.505 31.267 31.823 -0.086 0.000 0.870 141 V HN 1.280 nan 8.190 nan 0.000 0.453 142 T N 0.583 115.044 114.554 -0.155 0.000 2.861 142 T HA 0.481 4.844 4.350 0.021 0.000 0.287 142 T C -0.058 174.514 174.700 -0.213 0.000 1.003 142 T CA -0.246 61.759 62.100 -0.159 0.000 0.977 142 T CB 1.586 70.366 68.868 -0.145 0.000 0.996 142 T HN 0.313 nan 8.240 nan 0.000 0.448 143 S N 2.341 117.918 115.700 -0.204 0.000 2.563 143 S HA 0.066 4.549 4.470 0.021 0.000 0.294 143 S C 1.391 175.778 174.600 -0.355 0.000 1.279 143 S CA -0.486 57.547 58.200 -0.279 0.000 1.069 143 S CB 0.130 63.221 63.200 -0.183 0.000 0.828 143 S HN 0.548 nan 8.310 nan 0.000 0.497 144 L N 1.021 121.837 121.223 -0.678 0.000 2.249 144 L HA 0.129 4.481 4.340 0.021 0.000 0.207 144 L C 0.622 177.223 176.870 -0.449 0.000 1.090 144 L CA 0.904 55.337 54.840 -0.678 0.000 0.802 144 L CB -0.188 41.214 42.059 -1.094 0.000 0.947 144 L HN 0.620 nan 8.230 nan 0.000 0.453 145 F N -1.559 118.371 119.950 -0.034 0.000 2.654 145 F HA 0.283 4.822 4.527 0.020 0.000 0.303 145 F C -1.290 174.500 175.800 -0.016 0.000 1.099 145 F CA -1.818 56.158 58.000 -0.040 0.000 1.270 145 F CB -1.249 37.705 39.000 -0.077 0.000 1.024 145 F HN -0.023 nan 8.300 nan 0.000 0.548 146 P HA -0.087 nan 4.420 nan 0.000 0.219 146 P C -0.281 177.052 177.300 0.056 0.000 1.150 146 P CA 1.371 64.505 63.100 0.058 0.000 0.814 146 P CB -0.062 31.643 31.700 0.009 0.000 0.787 147 N N -0.232 118.505 118.700 0.061 0.000 2.671 147 N HA 0.259 5.012 4.740 0.021 0.000 0.303 147 N C -0.632 174.912 175.510 0.058 0.000 1.351 147 N CA -0.178 52.900 53.050 0.047 0.000 0.991 147 N CB -0.080 38.427 38.487 0.034 0.000 1.307 147 N HN -0.043 nan 8.380 nan 0.000 0.512 148 L N 0.895 122.154 121.223 0.060 0.000 2.839 148 L HA 0.183 4.536 4.340 0.021 0.000 0.259 148 L C 1.474 178.352 176.870 0.014 0.000 1.369 148 L CA -0.140 54.726 54.840 0.043 0.000 0.845 148 L CB 0.258 42.347 42.059 0.049 0.000 1.181 148 L HN 0.271 nan 8.230 nan 0.000 0.529 149 T N -4.350 110.212 114.554 0.013 0.000 2.969 149 T HA -0.171 4.191 4.350 0.021 0.000 0.271 149 T C 1.258 175.954 174.700 -0.007 0.000 1.127 149 T CA 1.449 63.551 62.100 0.003 0.000 1.102 149 T CB -0.221 68.650 68.868 0.005 0.000 0.855 149 T HN 0.412 nan 8.240 nan 0.000 0.536 150 N N 0.098 118.793 118.700 -0.008 0.000 2.203 150 N HA 0.216 4.968 4.740 0.021 0.000 0.207 150 N C -0.285 175.206 175.510 -0.031 0.000 1.130 150 N CA -0.272 52.770 53.050 -0.013 0.000 0.861 150 N CB 0.321 38.807 38.487 -0.002 0.000 1.005 150 N HN 0.321 nan 8.380 nan 0.000 0.507 151 L N 1.512 122.704 121.223 -0.053 0.000 2.410 151 L HA 0.040 4.393 4.340 0.021 0.000 0.273 151 L C 1.072 177.878 176.870 -0.106 0.000 1.152 151 L CA 0.910 55.691 54.840 -0.099 0.000 0.855 151 L CB 0.916 42.889 42.059 -0.144 0.000 1.129 151 L HN 0.024 nan 8.230 nan 0.000 0.463 152 Q N 1.415 121.149 119.800 -0.111 0.000 2.210 152 Q HA 0.267 4.619 4.340 0.021 0.000 0.252 152 Q C -0.618 175.303 176.000 -0.133 0.000 0.811 152 Q CA 0.118 55.864 55.803 -0.097 0.000 0.953 152 Q CB 1.111 29.831 28.738 -0.030 0.000 1.136 152 Q HN 0.710 nan 8.270 nan 0.000 0.491 153 T N 1.044 115.482 114.554 -0.194 0.000 3.066 153 T HA 0.381 4.744 4.350 0.021 0.000 0.318 153 T C -1.819 172.603 174.700 -0.463 0.000 0.979 153 T CA -0.398 61.538 62.100 -0.273 0.000 1.025 153 T CB 1.215 69.982 68.868 -0.167 0.000 1.002 153 T HN -0.060 nan 8.240 nan 0.000 0.453 154 L N 4.087 125.053 121.223 -0.429 0.000 2.307 154 L HA 0.688 5.040 4.340 0.021 0.000 0.284 154 L C -0.529 176.102 176.870 -0.399 0.000 1.023 154 L CA -0.418 54.126 54.840 -0.494 0.000 0.810 154 L CB 0.894 42.646 42.059 -0.512 0.000 1.231 154 L HN 0.515 nan 8.230 nan 0.000 0.423 155 R N 7.059 127.320 120.500 -0.398 0.000 2.468 155 R HA 0.611 4.964 4.340 0.021 0.000 0.302 155 R C -0.812 175.367 176.300 -0.202 0.000 1.041 155 R CA -0.525 55.413 56.100 -0.270 0.000 0.899 155 R CB 1.461 31.608 30.300 -0.254 0.000 1.167 155 R HN 0.782 nan 8.270 nan 0.000 0.483 156 I N -1.659 118.818 120.570 -0.155 0.000 3.294 156 I HA 0.925 5.107 4.170 0.021 0.000 0.311 156 I C 0.182 176.148 176.117 -0.253 0.000 1.111 156 I CA -0.769 60.454 61.300 -0.129 0.000 0.976 156 I CB 2.358 40.294 38.000 -0.106 0.000 1.260 156 I HN 0.636 nan 8.210 nan 0.000 0.474 157 G N 2.140 110.686 108.800 -0.424 0.000 2.661 157 G HA2 0.106 4.078 3.960 0.021 0.000 0.685 157 G HA3 0.106 4.078 3.960 0.021 0.000 0.685 157 G C -1.491 173.185 174.900 -0.373 0.000 1.298 157 G CA -0.192 44.505 45.100 -0.672 0.000 0.855 157 G HN 1.682 nan 8.290 nan 0.000 0.560 158 N N -2.780 115.788 118.700 -0.220 0.000 3.020 158 N HA 0.589 5.342 4.740 0.021 0.000 0.248 158 N C 0.524 176.006 175.510 -0.046 0.000 1.480 158 N CA 0.066 53.022 53.050 -0.156 0.000 0.874 158 N CB 1.080 39.438 38.487 -0.215 0.000 1.433 158 N HN 0.894 nan 8.380 nan 0.000 0.530 159 V N 0.074 119.964 119.914 -0.039 0.000 2.379 159 V HA -0.051 4.081 4.120 0.021 0.000 0.245 159 V C 1.170 177.283 176.094 0.033 0.000 1.044 159 V CA 1.965 64.268 62.300 0.005 0.000 1.036 159 V CB -0.674 31.154 31.823 0.009 0.000 0.664 159 V HN 0.773 nan 8.190 nan 0.000 0.453 160 E N -0.912 119.300 120.200 0.021 0.000 2.526 160 E HA 0.075 4.438 4.350 0.021 0.000 0.208 160 E C 1.365 177.983 176.600 0.030 0.000 0.997 160 E CA 0.829 57.247 56.400 0.029 0.000 0.961 160 E CB 0.611 30.325 29.700 0.023 0.000 1.030 160 E HN 0.728 nan 8.360 nan 0.000 0.483 161 T N -1.848 112.725 114.554 0.032 0.000 3.029 161 T HA 0.113 4.476 4.350 0.021 0.000 0.256 161 T C 0.187 174.928 174.700 0.069 0.000 0.914 161 T CA -0.524 61.596 62.100 0.035 0.000 0.880 161 T CB -0.281 68.598 68.868 0.018 0.000 1.246 161 T HN 0.033 nan 8.240 nan 0.000 0.523 162 F N 4.624 124.526 119.950 -0.079 0.000 2.519 162 F HA 0.454 4.993 4.527 0.022 0.000 0.375 162 F C 1.287 177.093 175.800 0.011 0.000 1.084 162 F CA -0.477 57.500 58.000 -0.038 0.000 1.147 162 F CB 0.746 39.713 39.000 -0.056 0.000 1.088 162 F HN 0.236 nan 8.300 nan 0.000 0.555 163 S N 2.440 117.885 115.700 -0.425 0.000 2.593 163 S HA 0.313 4.795 4.470 0.021 0.000 0.235 163 S C 0.151 174.517 174.600 -0.389 0.000 1.059 163 S CA -0.403 57.620 58.200 -0.295 0.000 0.953 163 S CB 0.011 63.138 63.200 -0.122 0.000 0.897 163 S HN 0.593 nan 8.310 nan 0.000 0.507 164 E N 0.446 120.311 120.200 -0.559 0.000 2.277 164 E HA 0.620 4.983 4.350 0.021 0.000 0.266 164 E C -1.475 174.827 176.600 -0.496 0.000 0.901 164 E CA -0.698 55.451 56.400 -0.418 0.000 0.782 164 E CB 2.265 31.819 29.700 -0.244 0.000 1.228 164 E HN 0.292 nan 8.360 nan 0.000 0.424 165 I N 2.632 123.024 120.570 -0.296 0.000 2.497 165 I HA 0.305 4.488 4.170 0.021 0.000 0.284 165 I C -0.589 175.385 176.117 -0.238 0.000 1.060 165 I CA -0.506 60.699 61.300 -0.158 0.000 1.071 165 I CB 1.410 39.416 38.000 0.010 0.000 1.216 165 I HN 0.232 nan 8.210 nan 0.000 0.442 166 R N 3.318 123.715 120.500 -0.172 0.000 2.691 166 R HA 0.490 4.843 4.340 0.021 0.000 0.259 166 R C 1.032 177.246 176.300 -0.144 0.000 1.048 166 R CA -0.721 55.273 56.100 -0.176 0.000 1.086 166 R CB 0.845 31.062 30.300 -0.139 0.000 1.166 166 R HN 0.391 nan 8.270 nan 0.000 0.526 167 R N 0.937 121.364 120.500 -0.123 0.000 2.189 167 R HA -0.047 4.305 4.340 0.021 0.000 0.223 167 R C 1.688 177.961 176.300 -0.045 0.000 1.092 167 R CA 1.265 57.324 56.100 -0.068 0.000 0.989 167 R CB -0.329 29.935 30.300 -0.060 0.000 0.876 167 R HN 0.702 nan 8.270 nan 0.000 0.457 168 I N -1.967 118.552 120.570 -0.085 0.000 2.439 168 I HA -0.139 4.043 4.170 0.021 0.000 0.251 168 I C 0.945 176.970 176.117 -0.154 0.000 1.139 168 I CA 1.151 62.391 61.300 -0.100 0.000 1.438 168 I CB -0.387 37.542 38.000 -0.118 0.000 1.085 168 I HN -0.120 nan 8.210 nan 0.000 0.427 169 D N 1.904 122.157 120.400 -0.244 0.000 2.203 169 D HA -0.199 4.453 4.640 0.021 0.000 0.199 169 D C 1.077 176.991 176.300 -0.643 0.000 0.997 169 D CA 1.779 55.473 54.000 -0.511 0.000 0.863 169 D CB -0.282 40.138 40.800 -0.633 0.000 0.928 169 D HN 0.546 nan 8.370 nan 0.000 0.458 170 F N -0.159 119.836 119.950 0.075 0.000 2.850 170 F HA 0.446 4.986 4.527 0.021 0.000 0.329 170 F C 0.551 176.394 175.800 0.071 0.000 1.182 170 F CA -0.812 57.266 58.000 0.130 0.000 1.270 170 F CB 0.043 39.095 39.000 0.087 0.000 0.979 170 F HN -0.230 nan 8.300 nan 0.000 0.506 171 A N 0.056 122.947 122.820 0.118 0.000 2.401 171 A HA 0.540 4.873 4.320 0.021 0.000 0.259 171 A C 1.455 179.086 177.584 0.080 0.000 1.103 171 A CA 0.604 52.684 52.037 0.072 0.000 0.789 171 A CB -0.130 18.876 19.000 0.010 0.000 1.035 171 A HN 1.063 nan 8.150 nan 0.000 0.491 172 G N 0.702 109.541 108.800 0.064 0.000 2.199 172 G HA2 -0.192 3.781 3.960 0.021 0.000 0.254 172 G HA3 -0.192 3.781 3.960 0.021 0.000 0.254 172 G C 0.035 174.974 174.900 0.065 0.000 0.982 172 G CA 0.342 45.475 45.100 0.055 0.000 0.632 172 G HN 0.809 nan 8.290 nan 0.000 0.529 173 L N 1.562 122.839 121.223 0.090 0.000 2.265 173 L HA 0.549 4.902 4.340 0.021 0.000 0.288 173 L C 1.731 178.613 176.870 0.019 0.000 1.058 173 L CA 0.188 55.062 54.840 0.057 0.000 0.809 173 L CB 1.548 43.661 42.059 0.091 0.000 1.179 173 L HN 0.359 nan 8.230 nan 0.000 0.429 174 T N -2.289 112.258 114.554 -0.012 0.000 2.999 174 T HA 0.098 4.461 4.350 0.021 0.000 0.247 174 T C 0.658 175.324 174.700 -0.057 0.000 1.012 174 T CA -0.023 62.062 62.100 -0.024 0.000 1.048 174 T CB 0.607 69.467 68.868 -0.014 0.000 1.020 174 T HN 0.406 nan 8.240 nan 0.000 0.478 175 S N -0.303 115.348 115.700 -0.082 0.000 2.546 175 S HA 0.788 5.270 4.470 0.021 0.000 0.274 175 S C -1.887 172.603 174.600 -0.183 0.000 1.121 175 S CA -0.826 57.290 58.200 -0.141 0.000 0.887 175 S CB 1.386 64.514 63.200 -0.121 0.000 1.094 175 S HN 0.422 nan 8.310 nan 0.000 0.474 176 L N 3.522 124.579 121.223 -0.278 0.000 2.506 176 L HA 0.491 4.843 4.340 0.021 0.000 0.257 176 L C 0.703 177.353 176.870 -0.366 0.000 0.964 176 L CA -0.694 53.985 54.840 -0.268 0.000 0.836 176 L CB 2.278 44.196 42.059 -0.235 0.000 1.384 176 L HN 0.759 nan 8.230 nan 0.000 0.410 177 N N 0.110 118.677 118.700 -0.223 0.000 2.220 177 N HA 0.028 4.781 4.740 0.021 0.000 0.182 177 N C -0.455 175.043 175.510 -0.020 0.000 1.023 177 N CA 0.594 53.609 53.050 -0.059 0.000 0.856 177 N CB 0.508 39.043 38.487 0.080 0.000 0.997 177 N HN 0.513 nan 8.380 nan 0.000 0.429 178 E N 0.944 121.083 120.200 -0.102 0.000 2.241 178 E HA 0.269 4.632 4.350 0.021 0.000 0.263 178 E C -1.636 174.820 176.600 -0.241 0.000 0.882 178 E CA -0.506 55.792 56.400 -0.170 0.000 0.769 178 E CB 2.499 32.113 29.700 -0.145 0.000 1.185 178 E HN -0.025 nan 8.360 nan 0.000 0.415 179 L N 2.559 123.618 121.223 -0.273 0.000 2.341 179 L HA 0.410 4.763 4.340 0.021 0.000 0.278 179 L C -0.824 175.885 176.870 -0.269 0.000 1.005 179 L CA -0.308 54.366 54.840 -0.276 0.000 0.818 179 L CB 1.573 43.460 42.059 -0.288 0.000 1.259 179 L HN 0.567 nan 8.230 nan 0.000 0.418 180 E N 5.547 125.615 120.200 -0.220 0.000 2.402 180 E HA 0.353 4.715 4.350 0.021 0.000 0.244 180 E C -1.419 175.130 176.600 -0.084 0.000 0.945 180 E CA -0.357 55.953 56.400 -0.149 0.000 0.774 180 E CB 0.782 30.399 29.700 -0.139 0.000 1.296 180 E HN 0.683 nan 8.360 nan 0.000 0.414 181 I N 4.481 125.039 120.570 -0.020 0.000 2.301 181 I HA 0.157 4.340 4.170 0.021 0.000 0.292 181 I C 0.154 176.320 176.117 0.082 0.000 1.046 181 I CA -0.340 60.984 61.300 0.042 0.000 1.282 181 I CB 0.792 38.870 38.000 0.129 0.000 1.409 181 I HN 0.300 nan 8.210 nan 0.000 0.484 182 K N 6.634 126.992 120.400 -0.070 0.000 2.244 182 K HA 0.536 4.869 4.320 0.021 0.000 0.263 182 K C -0.047 176.588 176.600 0.058 0.000 1.103 182 K CA -0.236 55.948 56.287 -0.171 0.000 0.966 182 K CB 0.596 32.810 32.500 -0.476 0.000 1.429 182 K HN 0.698 nan 8.250 nan 0.000 0.434 183 A N 5.535 128.485 122.820 0.217 0.000 2.985 183 A HA 0.251 4.584 4.320 0.021 0.000 0.303 183 A C 0.688 178.399 177.584 0.211 0.000 1.048 183 A CA -0.503 51.738 52.037 0.340 0.000 1.016 183 A CB -0.248 18.997 19.000 0.408 0.000 1.118 183 A HN 0.851 nan 8.150 nan 0.000 0.529 184 L N -0.449 120.875 121.223 0.169 0.000 2.129 184 L HA -0.170 4.182 4.340 0.021 0.000 0.212 184 L C 1.776 178.721 176.870 0.124 0.000 1.087 184 L CA 1.633 56.559 54.840 0.143 0.000 0.757 184 L CB -0.071 42.059 42.059 0.118 0.000 0.896 184 L HN 0.431 nan 8.230 nan 0.000 0.434 185 S N -0.162 115.605 115.700 0.111 0.000 2.583 185 S HA 0.192 4.675 4.470 0.021 0.000 0.239 185 S C 0.307 174.942 174.600 0.058 0.000 0.966 185 S CA -0.525 57.725 58.200 0.082 0.000 0.973 185 S CB -0.064 63.173 63.200 0.062 0.000 0.794 185 S HN 0.102 nan 8.310 nan 0.000 0.463 186 L N 3.510 124.773 121.223 0.067 0.000 2.791 186 L HA 0.090 4.442 4.340 0.021 0.000 0.276 186 L C 1.095 178.007 176.870 0.068 0.000 1.136 186 L CA 0.618 55.454 54.840 -0.007 0.000 1.008 186 L CB -0.256 41.801 42.059 -0.003 0.000 1.348 186 L HN 0.140 nan 8.230 nan 0.000 0.476 187 R N 2.556 123.068 120.500 0.020 0.000 2.200 187 R HA 0.146 4.499 4.340 0.021 0.000 0.208 187 R C 0.149 176.556 176.300 0.179 0.000 1.033 187 R CA 0.238 56.407 56.100 0.115 0.000 1.000 187 R CB 0.102 30.433 30.300 0.051 0.000 0.906 187 R HN 0.674 nan 8.270 nan 0.000 0.462 188 N N -0.468 118.204 118.700 -0.047 0.000 2.521 188 N HA 0.002 4.755 4.740 0.021 0.000 0.269 188 N C -2.157 173.104 175.510 -0.415 0.000 1.079 188 N CA -0.506 52.484 53.050 -0.101 0.000 0.980 188 N CB 1.594 40.088 38.487 0.011 0.000 1.667 188 N HN -0.015 nan 8.380 nan 0.000 0.498 189 Y N 3.105 122.911 120.300 -0.822 0.000 2.426 189 Y HA 0.299 4.862 4.550 0.021 0.000 0.325 189 Y C 0.088 175.878 175.900 -0.185 0.000 0.989 189 Y CA -0.629 57.121 58.100 -0.583 0.000 1.284 189 Y CB 0.804 38.750 38.460 -0.856 0.000 1.104 189 Y HN 0.537 nan 8.280 nan 0.000 0.481 190 Q N 3.947 123.520 119.800 -0.378 0.000 2.304 190 Q HA 0.099 4.452 4.340 0.021 0.000 0.301 190 Q C -0.216 175.597 176.000 -0.311 0.000 1.063 190 Q CA 0.268 55.919 55.803 -0.252 0.000 0.947 190 Q CB 0.633 29.233 28.738 -0.229 0.000 1.201 190 Q HN 0.806 nan 8.270 nan 0.000 0.389 191 S N 4.064 119.752 115.700 -0.020 0.000 2.537 191 S HA 0.001 4.484 4.470 0.021 0.000 0.286 191 S C -0.184 174.425 174.600 0.014 0.000 1.299 191 S CA 0.028 58.284 58.200 0.094 0.000 1.067 191 S CB 0.922 64.186 63.200 0.107 0.000 0.864 191 S HN 0.881 nan 8.310 nan 0.000 0.494 192 Q N -0.065 119.793 119.800 0.097 0.000 2.464 192 Q HA -0.182 4.171 4.340 0.021 0.000 0.246 192 Q C 1.144 177.158 176.000 0.024 0.000 0.763 192 Q CA 0.777 56.621 55.803 0.068 0.000 1.233 192 Q CB -2.475 26.286 28.738 0.039 0.000 1.361 192 Q HN 0.814 nan 8.270 nan 0.000 0.699 193 S N 0.346 116.005 115.700 -0.069 0.000 2.348 193 S HA -0.089 4.394 4.470 0.021 0.000 0.221 193 S C 1.445 176.121 174.600 0.127 0.000 1.033 193 S CA 1.130 59.315 58.200 -0.026 0.000 1.010 193 S CB 0.050 63.113 63.200 -0.228 0.000 0.891 193 S HN 0.311 nan 8.310 nan 0.000 0.442 194 L N 1.513 122.823 121.223 0.146 0.000 2.599 194 L HA 0.202 4.555 4.340 0.021 0.000 0.230 194 L C 2.013 178.890 176.870 0.012 0.000 1.141 194 L CA 1.006 55.866 54.840 0.033 0.000 0.877 194 L CB -1.029 41.040 42.059 0.016 0.000 1.009 194 L HN 0.313 nan 8.230 nan 0.000 0.447 195 K N 0.228 120.654 120.400 0.044 0.000 2.228 195 K HA -0.082 4.251 4.320 0.021 0.000 0.202 195 K C 2.078 178.684 176.600 0.010 0.000 1.051 195 K CA 1.103 57.402 56.287 0.020 0.000 0.960 195 K CB 0.427 32.945 32.500 0.031 0.000 0.743 195 K HN 0.334 nan 8.250 nan 0.000 0.458 196 S N 0.903 116.618 115.700 0.024 0.000 2.402 196 S HA -0.048 4.435 4.470 0.021 0.000 0.229 196 S C 1.089 175.695 174.600 0.009 0.000 1.021 196 S CA 0.331 58.545 58.200 0.023 0.000 0.974 196 S CB -0.527 62.698 63.200 0.042 0.000 0.800 196 S HN 0.199 nan 8.310 nan 0.000 0.484 197 I N 2.795 123.362 120.570 -0.005 0.000 2.581 197 I HA 0.111 4.294 4.170 0.021 0.000 0.285 197 I C 1.749 177.840 176.117 -0.044 0.000 1.129 197 I CA -0.133 61.145 61.300 -0.036 0.000 1.397 197 I CB 0.441 38.388 38.000 -0.089 0.000 1.399 197 I HN 0.193 nan 8.210 nan 0.000 0.537 198 R N 3.489 123.966 120.500 -0.037 0.000 2.090 198 R HA -0.059 4.294 4.340 0.021 0.000 0.228 198 R C 0.005 176.283 176.300 -0.037 0.000 1.110 198 R CA 1.144 57.226 56.100 -0.030 0.000 0.973 198 R CB 0.273 30.561 30.300 -0.019 0.000 0.869 198 R HN 0.687 nan 8.270 nan 0.000 0.440 199 D N -0.647 119.716 120.400 -0.062 0.000 2.970 199 D HA 0.313 4.965 4.640 0.021 0.000 0.230 199 D C -1.511 174.702 176.300 -0.145 0.000 1.276 199 D CA -0.440 53.520 54.000 -0.066 0.000 0.910 199 D CB 1.371 42.147 40.800 -0.041 0.000 1.590 199 D HN 0.052 nan 8.370 nan 0.000 0.551 200 I N 3.773 124.279 120.570 -0.107 0.000 2.468 200 I HA 0.222 4.405 4.170 0.021 0.000 0.285 200 I C 0.916 177.028 176.117 -0.009 0.000 1.039 200 I CA -0.541 60.673 61.300 -0.143 0.000 1.074 200 I CB 1.834 39.757 38.000 -0.129 0.000 1.228 200 I HN 0.525 nan 8.210 nan 0.000 0.436 201 H N 3.662 122.731 119.070 -0.003 0.000 2.436 201 H HA 0.035 4.603 4.556 0.021 0.000 0.294 201 H C 0.366 175.773 175.328 0.131 0.000 1.048 201 H CA 0.720 56.798 56.048 0.051 0.000 1.353 201 H CB 0.407 30.198 29.762 0.050 0.000 1.414 201 H HN 0.494 nan 8.280 nan 0.000 0.536 202 H N -0.205 118.886 119.070 0.036 0.000 3.287 202 H HA 0.173 4.742 4.556 0.022 0.000 0.329 202 H C -1.820 173.386 175.328 -0.204 0.000 1.130 202 H CA -0.874 55.105 56.048 -0.115 0.000 1.593 202 H CB 0.868 30.578 29.762 -0.087 0.000 1.916 202 H HN 0.047 nan 8.280 nan 0.000 0.503 203 L N 5.211 126.351 121.223 -0.139 0.000 2.264 203 L HA 0.393 4.746 4.340 0.021 0.000 0.289 203 L C -0.667 176.039 176.870 -0.273 0.000 1.044 203 L CA 0.161 54.863 54.840 -0.229 0.000 0.807 203 L CB 1.455 43.423 42.059 -0.151 0.000 1.192 203 L HN 0.553 nan 8.230 nan 0.000 0.425 204 T N 6.809 121.165 114.554 -0.330 0.000 2.770 204 T HA 0.469 4.832 4.350 0.021 0.000 0.297 204 T C -0.160 174.476 174.700 -0.106 0.000 0.997 204 T CA -0.236 61.712 62.100 -0.253 0.000 0.949 204 T CB 0.369 69.072 68.868 -0.276 0.000 0.941 204 T HN 0.435 nan 8.240 nan 0.000 0.457 205 L N 4.304 125.465 121.223 -0.103 0.000 2.295 205 L HA 0.440 4.793 4.340 0.021 0.000 0.285 205 L C 0.163 177.023 176.870 -0.017 0.000 1.035 205 L CA -0.835 54.009 54.840 0.007 0.000 0.806 205 L CB 0.965 43.016 42.059 -0.014 0.000 1.214 205 L HN 0.645 nan 8.230 nan 0.000 0.426 206 H N 5.860 124.938 119.070 0.012 0.000 2.638 206 H HA 0.418 4.987 4.556 0.022 0.000 0.303 206 H C -0.864 174.505 175.328 0.068 0.000 1.034 206 H CA -0.604 55.466 56.048 0.037 0.000 1.225 206 H CB 1.260 31.045 29.762 0.038 0.000 1.394 206 H HN 0.344 nan 8.280 nan 0.000 0.477 207 L N 1.776 123.093 121.223 0.157 0.000 2.346 207 L HA 0.173 4.525 4.340 0.021 0.000 0.276 207 L C 1.373 178.324 176.870 0.136 0.000 1.006 207 L CA -0.581 54.349 54.840 0.150 0.000 0.817 207 L CB 2.121 44.260 42.059 0.132 0.000 1.272 207 L HN 0.549 nan 8.230 nan 0.000 0.421 208 S N 0.363 116.145 115.700 0.136 0.000 2.496 208 S HA 0.085 4.567 4.470 0.021 0.000 0.224 208 S C 0.210 174.877 174.600 0.112 0.000 0.996 208 S CA 0.200 58.471 58.200 0.119 0.000 0.927 208 S CB -0.214 63.052 63.200 0.110 0.000 0.774 208 S HN 0.768 nan 8.310 nan 0.000 0.524 209 E N 0.141 120.414 120.200 0.122 0.000 2.429 209 E HA 0.487 4.850 4.350 0.021 0.000 0.280 209 E C 0.079 176.758 176.600 0.132 0.000 1.068 209 E CA -0.339 56.131 56.400 0.117 0.000 0.837 209 E CB 0.419 30.180 29.700 0.102 0.000 1.357 209 E HN 0.012 nan 8.360 nan 0.000 0.455 210 S N -0.291 115.493 115.700 0.140 0.000 2.561 210 S HA 0.071 4.554 4.470 0.021 0.000 0.225 210 S C 1.794 176.482 174.600 0.146 0.000 0.977 210 S CA 0.318 58.633 58.200 0.193 0.000 0.926 210 S CB -0.410 63.000 63.200 0.351 0.000 0.769 210 S HN 0.687 nan 8.310 nan 0.000 0.533 211 A N 0.904 123.752 122.820 0.046 0.000 2.042 211 A HA 0.002 4.334 4.320 0.021 0.000 0.222 211 A C 1.564 178.954 177.584 -0.324 0.000 1.167 211 A CA 1.427 53.368 52.037 -0.160 0.000 0.649 211 A CB -0.786 18.066 19.000 -0.246 0.000 0.809 211 A HN 0.666 nan 8.150 nan 0.000 0.457 212 F N -2.726 117.245 119.950 0.036 0.000 2.767 212 F HA 0.212 4.752 4.527 0.022 0.000 0.323 212 F C 1.520 177.282 175.800 -0.063 0.000 1.091 212 F CA -0.096 57.884 58.000 -0.033 0.000 1.192 212 F CB 0.294 39.251 39.000 -0.072 0.000 1.056 212 F HN 0.183 nan 8.300 nan 0.000 0.571 213 L N 0.631 121.954 121.223 0.165 0.000 2.013 213 L HA -0.220 4.132 4.340 0.021 0.000 0.212 213 L C 2.034 178.998 176.870 0.156 0.000 1.073 213 L CA 2.001 56.918 54.840 0.129 0.000 0.753 213 L CB -0.752 41.367 42.059 0.100 0.000 0.890 213 L HN 0.195 nan 8.230 nan 0.000 0.432 214 L N -0.751 120.590 121.223 0.196 0.000 2.012 214 L HA -0.259 4.094 4.340 0.021 0.000 0.210 214 L C 2.683 179.616 176.870 0.104 0.000 1.073 214 L CA 1.780 56.713 54.840 0.155 0.000 0.748 214 L CB -0.494 41.595 42.059 0.049 0.000 0.891 214 L HN 0.430 nan 8.230 nan 0.000 0.431 215 E N 0.004 120.244 120.200 0.066 0.000 2.077 215 E HA -0.236 4.126 4.350 0.021 0.000 0.193 215 E C 2.217 178.807 176.600 -0.017 0.000 0.989 215 E CA 1.440 57.873 56.400 0.056 0.000 0.800 215 E CB -0.027 29.762 29.700 0.148 0.000 0.746 215 E HN 0.524 nan 8.360 nan 0.000 0.452 216 I N 0.065 120.544 120.570 -0.153 0.000 2.286 216 I HA -0.213 3.970 4.170 0.021 0.000 0.245 216 I C 2.292 178.409 176.117 -0.001 0.000 1.104 216 I CA 0.525 61.695 61.300 -0.217 0.000 1.397 216 I CB -0.288 37.517 38.000 -0.326 0.000 1.072 216 I HN 0.068 nan 8.210 nan 0.000 0.417 217 F N 2.178 122.085 119.950 -0.072 0.000 2.192 217 F HA -0.267 4.273 4.527 0.021 0.000 0.301 217 F C 2.370 178.143 175.800 -0.045 0.000 1.079 217 F CA 1.343 59.318 58.000 -0.041 0.000 1.303 217 F CB -0.166 38.830 39.000 -0.007 0.000 1.024 217 F HN 0.013 nan 8.300 nan 0.000 0.494 218 A N -0.623 122.178 122.820 -0.031 0.000 1.968 218 A HA -0.112 4.221 4.320 0.021 0.000 0.217 218 A C 1.847 179.364 177.584 -0.112 0.000 1.169 218 A CA 1.600 53.563 52.037 -0.124 0.000 0.638 218 A CB -0.679 18.291 19.000 -0.051 0.000 0.812 218 A HN 0.364 nan 8.150 nan 0.000 0.446 219 D N -0.203 120.169 120.400 -0.045 0.000 2.317 219 D HA -0.015 4.638 4.640 0.021 0.000 0.211 219 D C 1.413 177.681 176.300 -0.053 0.000 0.966 219 D CA 1.078 55.077 54.000 -0.001 0.000 0.876 219 D CB -0.023 40.844 40.800 0.112 0.000 0.927 219 D HN 0.732 nan 8.370 nan 0.000 0.519 220 I N -2.870 117.625 120.570 -0.126 0.000 3.927 220 I HA 0.199 4.382 4.170 0.021 0.000 0.332 220 I C 1.352 177.347 176.117 -0.204 0.000 1.485 220 I CA -0.187 61.028 61.300 -0.143 0.000 1.131 220 I CB 0.079 38.001 38.000 -0.130 0.000 1.092 220 I HN -0.219 nan 8.210 nan 0.000 0.410 221 L N 1.230 122.307 121.223 -0.244 0.000 2.201 221 L HA -0.093 4.260 4.340 0.021 0.000 0.212 221 L C 2.253 179.050 176.870 -0.121 0.000 1.105 221 L CA 1.836 56.525 54.840 -0.253 0.000 0.775 221 L CB -0.088 41.842 42.059 -0.216 0.000 0.913 221 L HN 0.626 nan 8.230 nan 0.000 0.440 222 S N -3.218 112.433 115.700 -0.081 0.000 2.539 222 S HA 0.056 4.539 4.470 0.021 0.000 0.221 222 S C 1.545 176.125 174.600 -0.034 0.000 0.987 222 S CA 0.156 58.332 58.200 -0.041 0.000 0.929 222 S CB 0.488 63.674 63.200 -0.024 0.000 0.832 222 S HN 0.401 nan 8.310 nan 0.000 0.492 223 S N 0.804 116.474 115.700 -0.049 0.000 2.748 223 S HA 0.315 4.797 4.470 0.021 0.000 0.241 223 S C 0.475 175.059 174.600 -0.027 0.000 1.064 223 S CA -0.025 58.151 58.200 -0.041 0.000 0.892 223 S CB -0.713 62.451 63.200 -0.061 0.000 0.810 223 S HN 0.225 nan 8.310 nan 0.000 0.555 224 V N 3.151 123.040 119.914 -0.042 0.000 2.637 224 V HA 0.297 4.430 4.120 0.021 0.000 0.296 224 V C 1.159 177.271 176.094 0.031 0.000 1.046 224 V CA 0.118 62.411 62.300 -0.012 0.000 1.066 224 V CB 0.881 32.684 31.823 -0.033 0.000 0.968 224 V HN 0.431 nan 8.190 nan 0.000 0.483 225 R N 2.485 123.037 120.500 0.086 0.000 2.344 225 R HA 0.278 4.631 4.340 0.021 0.000 0.209 225 R C -0.284 176.109 176.300 0.155 0.000 0.886 225 R CA 0.073 56.233 56.100 0.101 0.000 1.040 225 R CB 0.696 31.068 30.300 0.120 0.000 1.114 225 R HN 0.793 nan 8.270 nan 0.000 0.547 226 Y N 0.659 120.959 120.300 -0.001 0.000 2.313 226 Y HA 0.287 4.850 4.550 0.022 0.000 0.320 226 Y C -2.066 173.840 175.900 0.009 0.000 1.171 226 Y CA -1.492 56.583 58.100 -0.042 0.000 1.093 226 Y CB 1.299 39.684 38.460 -0.125 0.000 1.224 226 Y HN -0.157 nan 8.280 nan 0.000 0.421 227 L N 6.596 127.933 121.223 0.191 0.000 2.287 227 L HA 0.480 4.833 4.340 0.021 0.000 0.287 227 L C -0.864 175.925 176.870 -0.135 0.000 1.022 227 L CA -0.099 54.719 54.840 -0.035 0.000 0.814 227 L CB 1.523 43.578 42.059 -0.008 0.000 1.217 227 L HN 0.754 nan 8.230 nan 0.000 0.420 228 E N 4.709 124.756 120.200 -0.254 0.000 2.155 228 E HA 0.370 4.733 4.350 0.021 0.000 0.264 228 E C -1.755 174.692 176.600 -0.254 0.000 0.886 228 E CA -0.815 55.438 56.400 -0.245 0.000 0.752 228 E CB 1.430 30.999 29.700 -0.219 0.000 1.133 228 E HN 0.596 nan 8.360 nan 0.000 0.414 229 L N 4.897 125.931 121.223 -0.316 0.000 2.296 229 L HA 0.482 4.835 4.340 0.021 0.000 0.286 229 L C -0.905 175.870 176.870 -0.158 0.000 1.023 229 L CA -0.235 54.461 54.840 -0.240 0.000 0.812 229 L CB 1.112 42.996 42.059 -0.291 0.000 1.223 229 L HN 0.514 nan 8.230 nan 0.000 0.421 230 R N 3.919 124.320 120.500 -0.165 0.000 2.534 230 R HA 0.408 4.760 4.340 0.021 0.000 0.301 230 R C -0.793 175.490 176.300 -0.028 0.000 0.961 230 R CA -0.660 55.343 56.100 -0.162 0.000 0.871 230 R CB 1.241 31.254 30.300 -0.479 0.000 1.170 230 R HN 0.708 nan 8.270 nan 0.000 0.446 231 D N 0.746 121.168 120.400 0.038 0.000 2.870 231 D HA -0.122 4.530 4.640 0.021 0.000 0.228 231 D C -0.820 175.538 176.300 0.097 0.000 1.147 231 D CA 1.390 55.439 54.000 0.082 0.000 0.757 231 D CB -0.993 39.869 40.800 0.103 0.000 1.091 231 D HN 0.539 nan 8.370 nan 0.000 0.429 232 T N 0.619 115.234 114.554 0.103 0.000 2.799 232 T HA 0.233 4.596 4.350 0.021 0.000 0.286 232 T C 0.546 175.308 174.700 0.103 0.000 0.973 232 T CA -0.620 61.544 62.100 0.106 0.000 1.035 232 T CB 1.564 70.496 68.868 0.107 0.000 0.932 232 T HN 0.117 nan 8.240 nan 0.000 0.469 233 N N 3.040 121.799 118.700 0.098 0.000 2.402 233 N HA 0.166 4.919 4.740 0.021 0.000 0.259 233 N C 0.388 175.957 175.510 0.099 0.000 1.167 233 N CA -0.330 52.777 53.050 0.095 0.000 0.949 233 N CB 0.204 38.745 38.487 0.089 0.000 1.212 233 N HN 0.540 nan 8.380 nan 0.000 0.493 234 L N 3.327 124.603 121.223 0.089 0.000 2.667 234 L HA 0.211 4.564 4.340 0.021 0.000 0.232 234 L C 2.129 179.080 176.870 0.134 0.000 1.138 234 L CA -0.139 54.757 54.840 0.093 0.000 0.921 234 L CB 0.011 42.063 42.059 -0.012 0.000 1.180 234 L HN 0.601 nan 8.230 nan 0.000 0.487 235 A N 0.484 123.370 122.820 0.111 0.000 1.915 235 A HA -0.186 4.147 4.320 0.021 0.000 0.220 235 A C 1.839 179.490 177.584 0.112 0.000 1.198 235 A CA 1.579 53.677 52.037 0.101 0.000 0.647 235 A CB -0.194 18.856 19.000 0.083 0.000 0.825 235 A HN 0.307 nan 8.150 nan 0.000 0.456 236 R N -1.306 119.264 120.500 0.118 0.000 3.135 236 R HA 0.245 4.598 4.340 0.021 0.000 0.343 236 R C -1.253 175.119 176.300 0.121 0.000 1.227 236 R CA -0.414 55.744 56.100 0.095 0.000 1.227 236 R CB -0.171 30.161 30.300 0.054 0.000 1.436 236 R HN 0.450 nan 8.270 nan 0.000 0.595 237 F N 1.462 121.428 119.950 0.026 0.000 2.424 237 F HA 0.243 4.783 4.527 0.021 0.000 0.356 237 F C -0.055 175.768 175.800 0.038 0.000 1.110 237 F CA -0.405 57.611 58.000 0.026 0.000 1.161 237 F CB 0.905 39.922 39.000 0.029 0.000 1.115 237 F HN 0.023 nan 8.300 nan 0.000 0.507 238 Q N 6.159 125.519 119.800 -0.734 0.000 2.307 238 Q HA 0.328 4.680 4.340 0.021 0.000 0.262 238 Q C -1.219 174.260 176.000 -0.868 0.000 0.961 238 Q CA -0.609 54.842 55.803 -0.588 0.000 0.882 238 Q CB 1.270 29.836 28.738 -0.287 0.000 1.264 238 Q HN 0.711 nan 8.270 nan 0.000 0.446 239 F N 2.104 121.666 119.950 -0.646 0.000 2.370 239 F HA 0.683 5.222 4.527 0.021 0.000 0.319 239 F C -0.302 175.390 175.800 -0.179 0.000 1.129 239 F CA 0.127 57.911 58.000 -0.359 0.000 1.109 239 F CB 1.001 39.951 39.000 -0.083 0.000 1.262 239 F HN 0.599 nan 8.300 nan 0.000 0.534 240 S N 2.935 117.935 115.700 -1.168 0.000 2.578 240 S HA 0.435 4.918 4.470 0.021 0.000 0.285 240 S C -3.231 170.816 174.600 -0.922 0.000 1.126 240 S CA -1.348 56.438 58.200 -0.691 0.000 0.878 240 S CB 1.065 64.068 63.200 -0.327 0.000 1.091 240 S HN 0.394 nan 8.310 nan 0.000 0.450 241 P HA 0.190 nan 4.420 nan 0.000 0.264 241 P C -0.721 176.513 177.300 -0.109 0.000 1.179 241 P CA -0.031 63.045 63.100 -0.039 0.000 0.763 241 P CB 0.190 31.960 31.700 0.118 0.000 0.806 242 L N 5.389 126.599 121.223 -0.021 0.000 2.334 242 L HA 0.268 4.620 4.340 0.021 0.000 0.277 242 L C -0.951 175.919 176.870 -0.000 0.000 1.075 242 L CA -1.706 53.055 54.840 -0.131 0.000 0.804 242 L CB 0.446 42.272 42.059 -0.388 0.000 1.174 242 L HN 0.325 nan 8.230 nan 0.000 0.438 243 P HA -0.130 nan 4.420 nan 0.000 0.216 243 P C 0.360 177.684 177.300 0.041 0.000 1.153 243 P CA 0.554 63.664 63.100 0.016 0.000 0.858 243 P CB -0.230 31.474 31.700 0.006 0.000 0.789 244 V N -1.223 118.708 119.914 0.027 0.000 3.103 244 V HA -0.097 4.035 4.120 0.021 0.000 0.292 244 V C 0.111 176.261 176.094 0.094 0.000 1.269 244 V CA -0.323 62.005 62.300 0.047 0.000 1.370 244 V CB -0.410 31.426 31.823 0.022 0.000 0.945 244 V HN -0.041 nan 8.190 nan 0.000 0.521 245 D N 1.391 121.836 120.400 0.075 0.000 2.348 245 D HA 0.300 4.953 4.640 0.021 0.000 0.249 245 D C 0.139 176.495 176.300 0.094 0.000 1.110 245 D CA -0.450 53.596 54.000 0.077 0.000 0.967 245 D CB 0.266 41.096 40.800 0.050 0.000 1.139 245 D HN 0.808 nan 8.370 nan 0.000 0.466 246 E N 0.141 120.388 120.200 0.079 0.000 2.026 246 E HA 0.136 4.499 4.350 0.021 0.000 0.249 246 E C -0.799 175.836 176.600 0.059 0.000 1.273 246 E CA 0.069 56.512 56.400 0.071 0.000 0.991 246 E CB 0.061 29.788 29.700 0.044 0.000 1.076 246 E HN 0.046 nan 8.360 nan 0.000 0.438 247 V N 2.715 122.673 119.914 0.072 0.000 2.417 247 V HA 0.078 4.210 4.120 0.021 0.000 0.291 247 V C 0.261 176.383 176.094 0.046 0.000 1.024 247 V CA -0.630 61.699 62.300 0.048 0.000 0.861 247 V CB 1.891 33.736 31.823 0.036 0.000 0.985 247 V HN 0.458 nan 8.190 nan 0.000 0.436 248 S N 4.007 119.725 115.700 0.030 0.000 2.465 248 S HA 0.137 4.620 4.470 0.021 0.000 0.280 248 S C 0.348 174.959 174.600 0.019 0.000 1.232 248 S CA -0.057 58.158 58.200 0.025 0.000 1.066 248 S CB 0.328 63.538 63.200 0.017 0.000 0.929 248 S HN 0.909 nan 8.310 nan 0.000 0.494 249 S N 5.587 121.301 115.700 0.023 0.000 2.513 249 S HA 0.427 4.910 4.470 0.021 0.000 0.276 249 S C -1.693 172.913 174.600 0.009 0.000 1.254 249 S CA -1.496 56.708 58.200 0.008 0.000 1.053 249 S CB 0.805 64.009 63.200 0.007 0.000 0.958 249 S HN 0.615 nan 8.310 nan 0.000 0.491 250 P HA 0.004 nan 4.420 nan 0.000 0.226 250 P C 0.469 177.778 177.300 0.014 0.000 1.153 250 P CA 0.447 63.553 63.100 0.010 0.000 0.777 250 P CB -0.021 31.688 31.700 0.015 0.000 0.794 251 M N 0.558 120.167 119.600 0.015 0.000 2.269 251 M HA -0.008 4.485 4.480 0.021 0.000 0.350 251 M C 0.741 177.054 176.300 0.021 0.000 1.429 251 M CA 0.827 56.144 55.300 0.030 0.000 1.063 251 M CB 0.501 33.125 32.600 0.041 0.000 1.841 251 M HN -0.248 nan 8.290 nan 0.000 0.455 252 K N 3.705 124.107 120.400 0.003 0.000 2.435 252 K HA 0.247 4.579 4.320 0.021 0.000 0.199 252 K C -0.121 176.433 176.600 -0.076 0.000 1.153 252 K CA 0.324 56.590 56.287 -0.035 0.000 0.974 252 K CB 0.745 33.212 32.500 -0.056 0.000 0.997 252 K HN 0.587 nan 8.250 nan 0.000 0.547 253 K N 1.115 121.463 120.400 -0.086 0.000 2.371 253 K HA 0.388 4.720 4.320 0.021 0.000 0.251 253 K C -1.731 174.851 176.600 -0.030 0.000 0.934 253 K CA -0.765 55.416 56.287 -0.177 0.000 0.798 253 K CB 1.596 33.752 32.500 -0.573 0.000 1.204 253 K HN -0.129 nan 8.250 nan 0.000 0.427 254 L N 2.453 123.628 121.223 -0.080 0.000 2.409 254 L HA 0.704 5.056 4.340 0.021 0.000 0.272 254 L C -1.783 174.948 176.870 -0.233 0.000 0.980 254 L CA -0.137 54.629 54.840 -0.124 0.000 0.826 254 L CB 1.910 43.895 42.059 -0.123 0.000 1.268 254 L HN 0.718 nan 8.230 nan 0.000 0.407 255 A N 4.237 126.859 122.820 -0.330 0.000 2.398 255 A HA 0.798 5.131 4.320 0.021 0.000 0.301 255 A C -1.742 175.508 177.584 -0.558 0.000 1.041 255 A CA -0.310 51.538 52.037 -0.316 0.000 0.711 255 A CB 0.820 19.806 19.000 -0.023 0.000 1.240 255 A HN 0.489 nan 8.150 nan 0.000 0.420 256 F N 2.454 122.215 119.950 -0.315 0.000 2.426 256 F HA 0.515 5.055 4.527 0.021 0.000 0.348 256 F C 1.356 177.117 175.800 -0.065 0.000 1.124 256 F CA -0.607 57.271 58.000 -0.203 0.000 1.008 256 F CB 1.782 40.628 39.000 -0.255 0.000 1.139 256 F HN 0.636 nan 8.300 nan 0.000 0.452 257 R N 2.144 122.701 120.500 0.095 0.000 2.023 257 R HA 0.196 4.549 4.340 0.021 0.000 0.217 257 R C 1.321 177.694 176.300 0.122 0.000 1.255 257 R CA 0.881 57.028 56.100 0.079 0.000 0.981 257 R CB -0.673 29.631 30.300 0.007 0.000 0.853 257 R HN 0.733 nan 8.270 nan 0.000 0.463 258 G N 1.432 110.293 108.800 0.102 0.000 4.486 258 G HA2 0.205 4.178 3.960 0.021 0.000 0.306 258 G HA3 0.205 4.178 3.960 0.021 0.000 0.306 258 G C -0.573 174.403 174.900 0.126 0.000 1.331 258 G CA -0.246 44.919 45.100 0.109 0.000 1.113 258 G HN 0.056 nan 8.290 nan 0.000 0.594 259 S N -0.377 115.423 115.700 0.165 0.000 2.584 259 S HA 0.441 4.923 4.470 0.021 0.000 0.273 259 S C 0.213 174.892 174.600 0.132 0.000 1.311 259 S CA -0.390 57.904 58.200 0.157 0.000 1.034 259 S CB 2.216 65.532 63.200 0.194 0.000 0.939 259 S HN 0.109 nan 8.310 nan 0.000 0.513 260 V N 3.669 123.649 119.914 0.109 0.000 2.370 260 V HA 0.451 4.584 4.120 0.021 0.000 0.279 260 V C -0.318 175.826 176.094 0.084 0.000 1.029 260 V CA -0.479 61.882 62.300 0.102 0.000 0.870 260 V CB 0.503 32.385 31.823 0.099 0.000 0.984 260 V HN 0.643 nan 8.190 nan 0.000 0.451 261 L N 4.381 125.652 121.223 0.079 0.000 2.341 261 L HA 0.846 5.199 4.340 0.021 0.000 0.267 261 L C 0.308 177.231 176.870 0.089 0.000 1.009 261 L CA -0.352 54.525 54.840 0.061 0.000 0.819 261 L CB 2.597 44.665 42.059 0.015 0.000 1.323 261 L HN 0.781 nan 8.230 nan 0.000 0.425 262 T N -4.548 110.066 114.554 0.100 0.000 2.926 262 T HA 0.310 4.673 4.350 0.021 0.000 0.289 262 T C 0.295 175.091 174.700 0.160 0.000 1.054 262 T CA -0.768 61.398 62.100 0.109 0.000 1.015 262 T CB 1.670 70.590 68.868 0.086 0.000 1.167 262 T HN 0.444 nan 8.240 nan 0.000 0.526 263 D N 0.268 120.756 120.400 0.147 0.000 2.228 263 D HA -0.108 4.545 4.640 0.021 0.000 0.203 263 D C 1.816 178.268 176.300 0.252 0.000 0.988 263 D CA 1.020 55.159 54.000 0.232 0.000 0.864 263 D CB 0.079 40.875 40.800 -0.006 0.000 0.928 263 D HN 0.540 nan 8.370 nan 0.000 0.469 264 E N 0.242 120.533 120.200 0.151 0.000 2.106 264 E HA -0.062 4.301 4.350 0.021 0.000 0.192 264 E C 2.183 178.885 176.600 0.170 0.000 0.984 264 E CA 0.399 56.881 56.400 0.137 0.000 0.806 264 E CB -0.197 29.557 29.700 0.090 0.000 0.750 264 E HN 0.179 nan 8.360 nan 0.000 0.458 265 S N 0.833 116.635 115.700 0.170 0.000 2.382 265 S HA -0.141 4.342 4.470 0.021 0.000 0.228 265 S C 1.755 176.418 174.600 0.105 0.000 1.027 265 S CA 0.883 59.179 58.200 0.160 0.000 0.991 265 S CB -0.455 62.802 63.200 0.094 0.000 0.823 265 S HN 0.316 nan 8.310 nan 0.000 0.469 266 F N 3.487 123.392 119.950 -0.075 0.000 2.126 266 F HA -0.184 4.355 4.527 0.021 0.000 0.299 266 F C 1.957 177.666 175.800 -0.152 0.000 1.096 266 F CA 1.360 59.212 58.000 -0.248 0.000 1.255 266 F CB -0.312 38.300 39.000 -0.647 0.000 0.997 266 F HN 0.126 nan 8.300 nan 0.000 0.479 267 N N 0.473 119.328 118.700 0.258 0.000 2.223 267 N HA -0.151 4.602 4.740 0.021 0.000 0.185 267 N C 1.635 177.176 175.510 0.051 0.000 1.016 267 N CA 1.466 54.627 53.050 0.185 0.000 0.863 267 N CB -0.380 38.205 38.487 0.163 0.000 0.983 267 N HN 0.484 nan 8.380 nan 0.000 0.429 268 E N 0.854 121.110 120.200 0.093 0.000 2.045 268 E HA 0.080 4.442 4.350 0.021 0.000 0.190 268 E C 2.376 179.067 176.600 0.152 0.000 0.968 268 E CA 0.068 56.559 56.400 0.151 0.000 0.813 268 E CB -0.502 29.364 29.700 0.277 0.000 0.780 268 E HN 0.243 nan 8.360 nan 0.000 0.455 269 L N 1.456 122.764 121.223 0.142 0.000 2.051 269 L HA -0.205 4.148 4.340 0.021 0.000 0.214 269 L C 2.680 179.439 176.870 -0.185 0.000 1.076 269 L CA 1.005 55.807 54.840 -0.065 0.000 0.758 269 L CB -0.494 41.417 42.059 -0.247 0.000 0.890 269 L HN 0.143 nan 8.230 nan 0.000 0.433 270 L N -0.015 121.014 121.223 -0.324 0.000 2.187 270 L HA -0.250 4.102 4.340 0.021 0.000 0.213 270 L C 2.446 179.162 176.870 -0.257 0.000 1.100 270 L CA 1.572 56.203 54.840 -0.349 0.000 0.765 270 L CB -0.266 41.516 42.059 -0.462 0.000 0.904 270 L HN 0.348 nan 8.230 nan 0.000 0.437 271 K N -0.421 119.780 120.400 -0.331 0.000 2.283 271 K HA -0.123 4.210 4.320 0.021 0.000 0.202 271 K C 1.950 178.230 176.600 -0.533 0.000 1.048 271 K CA 0.699 56.621 56.287 -0.608 0.000 0.948 271 K CB 0.025 31.825 32.500 -1.166 0.000 0.742 271 K HN 0.369 nan 8.250 nan 0.000 0.458 272 L N 0.799 121.894 121.223 -0.212 0.000 2.141 272 L HA -0.127 4.226 4.340 0.021 0.000 0.209 272 L C 1.997 178.991 176.870 0.208 0.000 1.094 272 L CA 0.740 55.615 54.840 0.058 0.000 0.763 272 L CB -0.332 41.594 42.059 -0.223 0.000 0.908 272 L HN 0.197 nan 8.230 nan 0.000 0.437 273 L N -0.416 120.843 121.223 0.059 0.000 2.353 273 L HA -0.177 4.176 4.340 0.021 0.000 0.220 273 L C 2.498 179.419 176.870 0.085 0.000 1.133 273 L CA 0.962 55.856 54.840 0.090 0.000 0.798 273 L CB -0.655 41.410 42.059 0.011 0.000 0.922 273 L HN 0.323 nan 8.230 nan 0.000 0.445 274 R N -0.876 119.640 120.500 0.027 0.000 2.241 274 R HA -0.159 4.194 4.340 0.021 0.000 0.224 274 R C 1.657 177.854 176.300 -0.171 0.000 1.101 274 R CA 1.232 57.265 56.100 -0.111 0.000 0.995 274 R CB -0.178 29.980 30.300 -0.238 0.000 0.870 274 R HN 0.373 nan 8.270 nan 0.000 0.463 275 Y N 0.243 120.658 120.300 0.191 0.000 2.509 275 Y HA 0.190 4.753 4.550 0.021 0.000 0.270 275 Y C 1.256 177.233 175.900 0.127 0.000 1.103 275 Y CA -0.097 58.119 58.100 0.193 0.000 1.278 275 Y CB 0.568 39.215 38.460 0.313 0.000 1.087 275 Y HN -0.026 nan 8.280 nan 0.000 0.542 276 I N -1.813 118.921 120.570 0.273 0.000 2.692 276 I HA 0.237 4.420 4.170 0.021 0.000 0.285 276 I C 0.169 176.345 176.117 0.098 0.000 1.191 276 I CA -0.135 61.266 61.300 0.168 0.000 1.128 276 I CB 0.090 38.216 38.000 0.211 0.000 1.585 276 I HN 0.064 nan 8.210 nan 0.000 0.558 277 L N 1.230 122.491 121.223 0.062 0.000 2.191 277 L HA -0.071 4.282 4.340 0.021 0.000 0.212 277 L C 2.088 178.974 176.870 0.026 0.000 1.103 277 L CA 1.158 56.017 54.840 0.032 0.000 0.769 277 L CB -0.277 41.792 42.059 0.015 0.000 0.908 277 L HN 0.537 nan 8.230 nan 0.000 0.438 278 E N 0.005 120.221 120.200 0.026 0.000 2.435 278 E HA 0.050 4.413 4.350 0.021 0.000 0.195 278 E C 0.901 177.507 176.600 0.010 0.000 1.029 278 E CA -0.056 56.352 56.400 0.014 0.000 0.865 278 E CB 0.001 29.707 29.700 0.009 0.000 0.833 278 E HN 0.360 nan 8.360 nan 0.000 0.510 279 L N 2.045 123.281 121.223 0.022 0.000 2.593 279 L HA -0.123 4.230 4.340 0.021 0.000 0.287 279 L C 0.870 177.739 176.870 -0.002 0.000 1.243 279 L CA 0.952 55.800 54.840 0.014 0.000 0.890 279 L CB 0.390 42.471 42.059 0.036 0.000 1.134 279 L HN 0.082 nan 8.230 nan 0.000 0.502 280 S N 1.915 117.601 115.700 -0.024 0.000 2.817 280 S HA 0.223 4.705 4.470 0.021 0.000 0.262 280 S C -0.055 174.518 174.600 -0.045 0.000 1.051 280 S CA -0.525 57.656 58.200 -0.031 0.000 1.185 280 S CB 0.435 63.610 63.200 -0.042 0.000 1.152 280 S HN 0.741 nan 8.310 nan 0.000 0.653 281 E N 0.962 121.128 120.200 -0.057 0.000 2.311 281 E HA 0.518 4.881 4.350 0.021 0.000 0.281 281 E C -1.751 174.811 176.600 -0.064 0.000 0.905 281 E CA -0.702 55.656 56.400 -0.070 0.000 0.778 281 E CB 2.212 31.834 29.700 -0.130 0.000 1.240 281 E HN 0.186 nan 8.360 nan 0.000 0.410 282 V N 2.588 122.490 119.914 -0.019 0.000 2.555 282 V HA 0.614 4.747 4.120 0.021 0.000 0.302 282 V C -0.289 175.797 176.094 -0.012 0.000 1.038 282 V CA -0.809 61.480 62.300 -0.019 0.000 0.887 282 V CB 1.560 33.429 31.823 0.075 0.000 0.991 282 V HN 0.766 nan 8.190 nan 0.000 0.434 283 E N 2.429 122.556 120.200 -0.122 0.000 2.314 283 E HA 0.678 5.041 4.350 0.021 0.000 0.272 283 E C -2.156 174.321 176.600 -0.205 0.000 0.884 283 E CA -0.639 55.728 56.400 -0.055 0.000 0.753 283 E CB 2.103 31.775 29.700 -0.048 0.000 1.213 283 E HN 0.549 nan 8.360 nan 0.000 0.432 284 F N 2.799 122.838 119.950 0.148 0.000 2.499 284 F HA 0.314 4.854 4.527 0.021 0.000 0.333 284 F C 0.255 176.125 175.800 0.117 0.000 1.138 284 F CA -0.644 57.456 58.000 0.166 0.000 0.945 284 F CB 1.658 40.732 39.000 0.124 0.000 1.181 284 F HN 0.472 nan 8.300 nan 0.000 0.435 285 D N 0.931 121.475 120.400 0.240 0.000 2.311 285 D HA 0.071 4.723 4.640 0.021 0.000 0.278 285 D C -0.287 176.113 176.300 0.168 0.000 1.189 285 D CA 0.134 54.234 54.000 0.166 0.000 1.117 285 D CB 0.231 41.097 40.800 0.110 0.000 1.168 285 D HN 0.424 nan 8.370 nan 0.000 0.509 286 D N -0.031 120.445 120.400 0.127 0.000 2.606 286 D HA 0.111 4.764 4.640 0.021 0.000 0.234 286 D C -0.705 175.677 176.300 0.137 0.000 1.140 286 D CA 0.258 54.327 54.000 0.115 0.000 1.182 286 D CB -0.424 40.426 40.800 0.083 0.000 1.130 286 D HN 0.049 nan 8.370 nan 0.000 0.485 287 C N 0.754 120.156 119.300 0.170 0.000 2.391 287 C HA 0.480 4.953 4.460 0.021 0.000 0.339 287 C C 0.725 175.817 174.990 0.170 0.000 1.205 287 C CA -0.635 58.493 59.018 0.183 0.000 1.937 287 C CB 1.591 29.478 27.740 0.246 0.000 2.341 287 C HN 0.350 nan 8.230 nan 0.000 0.516 288 T N 3.240 117.893 114.554 0.164 0.000 2.767 288 T HA 0.395 4.758 4.350 0.021 0.000 0.284 288 T C -0.537 174.248 174.700 0.141 0.000 0.973 288 T CA -0.095 62.117 62.100 0.186 0.000 0.996 288 T CB 0.640 69.633 68.868 0.210 0.000 0.927 288 T HN 0.463 nan 8.240 nan 0.000 0.456 289 L N 5.383 126.685 121.223 0.130 0.000 2.287 289 L HA 0.440 4.793 4.340 0.021 0.000 0.280 289 L C -0.112 176.828 176.870 0.117 0.000 1.055 289 L CA -0.452 54.464 54.840 0.126 0.000 0.863 289 L CB 0.179 42.335 42.059 0.162 0.000 1.245 289 L HN 0.398 nan 8.230 nan 0.000 0.432 290 N N 4.802 123.563 118.700 0.102 0.000 2.819 290 N HA 0.485 5.238 4.740 0.021 0.000 0.284 290 N C 0.175 175.716 175.510 0.053 0.000 1.196 290 N CA 0.488 53.584 53.050 0.077 0.000 1.114 290 N CB 0.625 39.159 38.487 0.077 0.000 1.437 290 N HN 0.867 nan 8.380 nan 0.000 0.518 291 G N -0.794 108.027 108.800 0.035 0.000 2.427 291 G HA2 0.416 4.389 3.960 0.021 0.000 0.306 291 G HA3 0.416 4.389 3.960 0.021 0.000 0.306 291 G C -0.579 174.249 174.900 -0.119 0.000 1.280 291 G CA -0.571 44.509 45.100 -0.032 0.000 0.837 291 G HN 0.260 nan 8.290 nan 0.000 0.482 292 L N 0.347 121.345 121.223 -0.375 0.000 3.695 292 L HA 0.408 4.760 4.340 0.021 0.000 0.349 292 L C 1.366 177.305 176.870 -1.552 0.000 1.304 292 L CA 0.415 54.771 54.840 -0.807 0.000 1.078 292 L CB 1.031 42.814 42.059 -0.460 0.000 1.440 292 L HN 1.690 nan 8.230 nan 0.000 0.620 293 G N 0.469 108.413 108.800 -1.426 0.000 2.143 293 G HA2 -0.299 3.674 3.960 0.021 0.000 0.248 293 G HA3 -0.299 3.674 3.960 0.021 0.000 0.248 293 G C 0.086 174.035 174.900 -1.585 0.000 0.991 293 G CA 0.417 44.434 45.100 -1.805 0.000 0.689 293 G HN 0.395 nan 8.290 nan 0.000 0.522 294 D N 0.512 120.277 120.400 -1.058 0.000 2.671 294 D HA 0.346 4.998 4.640 0.021 0.000 0.228 294 D C 0.553 176.498 176.300 -0.591 0.000 1.102 294 D CA -0.239 53.244 54.000 -0.862 0.000 1.044 294 D CB -0.894 39.480 40.800 -0.711 0.000 1.113 294 D HN 0.356 nan 8.370 nan 0.000 0.480 295 F N 1.079 120.764 119.950 -0.442 0.000 2.410 295 F HA 0.325 4.865 4.527 0.021 0.000 0.348 295 F C 1.240 176.862 175.800 -0.296 0.000 1.106 295 F CA -0.842 56.907 58.000 -0.419 0.000 1.163 295 F CB 0.853 39.380 39.000 -0.788 0.000 1.129 295 F HN -0.012 nan 8.300 nan 0.000 0.516 296 N N 4.685 123.402 118.700 0.028 0.000 2.904 296 N HA 0.232 4.985 4.740 0.021 0.000 0.257 296 N C -2.857 172.682 175.510 0.049 0.000 1.363 296 N CA -1.317 51.728 53.050 -0.008 0.000 0.856 296 N CB 1.110 39.569 38.487 -0.048 0.000 1.166 296 N HN 0.215 nan 8.380 nan 0.000 0.499 297 P HA 0.082 nan 4.420 nan 0.000 0.271 297 P C 0.112 177.436 177.300 0.040 0.000 1.226 297 P CA 0.193 63.356 63.100 0.105 0.000 0.765 297 P CB 0.602 32.388 31.700 0.144 0.000 0.835 298 S N 2.467 118.179 115.700 0.022 0.000 2.542 298 S HA -0.077 4.405 4.470 0.021 0.000 0.287 298 S C 1.467 176.069 174.600 0.003 0.000 1.315 298 S CA -0.090 58.112 58.200 0.003 0.000 1.037 298 S CB 0.353 63.546 63.200 -0.012 0.000 0.822 298 S HN 0.491 nan 8.310 nan 0.000 0.513 299 E N 1.397 121.598 120.200 0.001 0.000 2.216 299 E HA -0.061 4.302 4.350 0.021 0.000 0.192 299 E C 2.194 178.795 176.600 0.002 0.000 0.988 299 E CA 0.676 57.078 56.400 0.002 0.000 0.834 299 E CB -0.251 29.450 29.700 0.001 0.000 0.772 299 E HN 0.638 nan 8.360 nan 0.000 0.479 300 S N 1.974 117.672 115.700 -0.004 0.000 2.359 300 S HA -0.189 4.294 4.470 0.021 0.000 0.223 300 S C 1.460 176.053 174.600 -0.012 0.000 1.039 300 S CA 1.619 59.814 58.200 -0.009 0.000 1.042 300 S CB -0.340 62.850 63.200 -0.017 0.000 0.915 300 S HN 0.251 nan 8.310 nan 0.000 0.439 301 D N 1.014 121.403 120.400 -0.019 0.000 2.178 301 D HA -0.026 4.626 4.640 0.021 0.000 0.201 301 D C 1.955 178.261 176.300 0.010 0.000 0.980 301 D CA 0.645 54.633 54.000 -0.020 0.000 0.842 301 D CB -0.455 40.322 40.800 -0.038 0.000 0.948 301 D HN 0.284 nan 8.370 nan 0.000 0.472 302 V N 0.759 120.686 119.914 0.021 0.000 2.719 302 V HA -0.133 4.000 4.120 0.021 0.000 0.252 302 V C 2.557 178.675 176.094 0.040 0.000 1.065 302 V CA 0.655 62.978 62.300 0.039 0.000 1.086 302 V CB -0.126 31.717 31.823 0.034 0.000 0.700 302 V HN 0.055 nan 8.190 nan 0.000 0.467 303 V N -0.001 119.930 119.914 0.028 0.000 2.515 303 V HA -0.197 3.936 4.120 0.021 0.000 0.250 303 V C 2.417 178.528 176.094 0.029 0.000 1.058 303 V CA 2.086 64.403 62.300 0.029 0.000 1.064 303 V CB -0.778 31.056 31.823 0.019 0.000 0.675 303 V HN 0.581 nan 8.190 nan 0.000 0.461 304 S N -0.717 114.996 115.700 0.021 0.000 2.447 304 S HA -0.131 4.351 4.470 0.021 0.000 0.233 304 S C 0.861 175.480 174.600 0.032 0.000 1.006 304 S CA 0.638 58.848 58.200 0.018 0.000 0.957 304 S CB -0.366 62.835 63.200 0.002 0.000 0.773 304 S HN 0.797 nan 8.310 nan 0.000 0.507 305 E N 0.499 120.728 120.200 0.048 0.000 2.360 305 E HA -0.219 4.144 4.350 0.021 0.000 0.238 305 E C -0.265 176.374 176.600 0.064 0.000 1.186 305 E CA 0.492 56.934 56.400 0.069 0.000 0.719 305 E CB -1.966 27.777 29.700 0.072 0.000 1.236 305 E HN 0.459 nan 8.360 nan 0.000 0.386 306 L N -2.608 118.645 121.223 0.050 0.000 4.040 306 L HA -0.354 3.998 4.340 0.021 0.000 0.410 306 L C 1.375 178.264 176.870 0.032 0.000 1.187 306 L CA 0.760 55.624 54.840 0.041 0.000 0.956 306 L CB -2.171 39.926 42.059 0.064 0.000 2.022 306 L HN 0.780 nan 8.230 nan 0.000 0.897 307 G N 0.353 109.168 108.800 0.025 0.000 2.651 307 G HA2 -0.430 3.542 3.960 0.021 0.000 0.315 307 G HA3 -0.430 3.542 3.960 0.021 0.000 0.315 307 G C 0.466 175.378 174.900 0.021 0.000 1.258 307 G CA 0.835 45.947 45.100 0.019 0.000 1.002 307 G HN 0.425 nan 8.290 nan 0.000 0.551 308 K N -0.149 120.261 120.400 0.017 0.000 2.410 308 K HA 0.441 4.774 4.320 0.021 0.000 0.200 308 K C 0.506 177.111 176.600 0.010 0.000 1.023 308 K CA -0.159 56.135 56.287 0.012 0.000 1.149 308 K CB 0.664 33.167 32.500 0.006 0.000 0.859 308 K HN 0.240 nan 8.250 nan 0.000 0.514 309 V N 2.869 122.794 119.914 0.018 0.000 2.403 309 V HA -0.040 4.093 4.120 0.021 0.000 0.265 309 V C 0.981 177.089 176.094 0.023 0.000 1.034 309 V CA 0.635 62.946 62.300 0.018 0.000 1.036 309 V CB 0.625 32.467 31.823 0.031 0.000 1.032 309 V HN 0.285 nan 8.190 nan 0.000 0.478 310 E N 2.391 122.595 120.200 0.007 0.000 2.307 310 E HA 0.090 4.452 4.350 0.021 0.000 0.195 310 E C 0.535 177.142 176.600 0.011 0.000 0.975 310 E CA 0.500 56.904 56.400 0.007 0.000 0.878 310 E CB 0.586 30.279 29.700 -0.012 0.000 0.845 310 E HN 0.641 nan 8.360 nan 0.000 0.488 311 T N 1.134 115.689 114.554 0.002 0.000 2.848 311 T HA 0.476 4.839 4.350 0.021 0.000 0.285 311 T C -0.620 174.099 174.700 0.031 0.000 0.995 311 T CA -0.434 61.669 62.100 0.004 0.000 0.970 311 T CB 2.582 71.423 68.868 -0.044 0.000 0.976 311 T HN -0.275 nan 8.240 nan 0.000 0.441 312 V N 3.433 123.387 119.914 0.067 0.000 2.531 312 V HA 0.606 4.738 4.120 0.021 0.000 0.301 312 V C -0.373 175.793 176.094 0.120 0.000 1.034 312 V CA -0.596 61.771 62.300 0.112 0.000 0.865 312 V CB 2.137 34.049 31.823 0.148 0.000 0.995 312 V HN 1.034 nan 8.190 nan 0.000 0.424 313 T N 6.467 121.104 114.554 0.138 0.000 2.847 313 T HA 0.661 5.024 4.350 0.021 0.000 0.291 313 T C -0.554 174.261 174.700 0.193 0.000 0.998 313 T CA -0.156 62.021 62.100 0.128 0.000 0.967 313 T CB 1.065 69.974 68.868 0.068 0.000 0.954 313 T HN 0.363 nan 8.240 nan 0.000 0.441 314 I N 3.527 124.198 120.570 0.170 0.000 2.382 314 I HA 0.457 4.640 4.170 0.021 0.000 0.286 314 I C 0.139 176.328 176.117 0.120 0.000 1.002 314 I CA -0.705 60.706 61.300 0.185 0.000 1.135 314 I CB 1.258 39.344 38.000 0.143 0.000 1.288 314 I HN 0.270 nan 8.210 nan 0.000 0.448 315 R N 5.708 126.285 120.500 0.129 0.000 2.480 315 R HA 0.558 4.911 4.340 0.021 0.000 0.306 315 R C -0.405 175.949 176.300 0.091 0.000 0.958 315 R CA -1.081 55.072 56.100 0.088 0.000 0.861 315 R CB 1.806 32.153 30.300 0.078 0.000 1.171 315 R HN 0.525 nan 8.270 nan 0.000 0.445 316 R N 1.086 121.625 120.500 0.065 0.000 3.188 316 R HA -0.205 4.148 4.340 0.021 0.000 0.247 316 R C -0.430 175.929 176.300 0.100 0.000 0.918 316 R CA 0.177 56.319 56.100 0.070 0.000 0.629 316 R CB -1.249 29.090 30.300 0.066 0.000 1.087 316 R HN 0.341 nan 8.270 nan 0.000 0.462 317 L N 1.421 122.697 121.223 0.088 0.000 2.283 317 L HA 0.173 4.526 4.340 0.021 0.000 0.287 317 L C 0.322 177.259 176.870 0.112 0.000 1.073 317 L CA -0.065 54.835 54.840 0.100 0.000 0.822 317 L CB 0.555 42.647 42.059 0.054 0.000 1.186 317 L HN 0.182 nan 8.230 nan 0.000 0.436 318 H N 6.803 125.908 119.070 0.059 0.000 2.668 318 H HA 0.327 4.896 4.556 0.022 0.000 0.303 318 H C -1.052 174.336 175.328 0.100 0.000 1.074 318 H CA -0.285 55.803 56.048 0.066 0.000 1.406 318 H CB 0.766 30.568 29.762 0.067 0.000 1.442 318 H HN 0.675 nan 8.280 nan 0.000 0.482 319 I N 8.824 129.214 120.570 -0.300 0.000 2.495 319 I HA 0.157 4.340 4.170 0.021 0.000 0.277 319 I C -1.760 174.248 176.117 -0.182 0.000 1.045 319 I CA -2.091 59.141 61.300 -0.114 0.000 1.135 319 I CB 1.873 39.927 38.000 0.089 0.000 1.241 319 I HN 0.471 nan 8.210 nan 0.000 0.469 320 P HA -0.210 nan 4.420 nan 0.000 0.217 320 P C 0.351 177.711 177.300 0.099 0.000 1.158 320 P CA 1.605 64.657 63.100 -0.079 0.000 0.887 320 P CB 0.154 31.877 31.700 0.039 0.000 0.792 321 Q N -1.512 118.333 119.800 0.076 0.000 2.553 321 Q HA 0.161 4.514 4.340 0.021 0.000 0.395 321 Q C 0.829 176.799 176.000 -0.050 0.000 0.971 321 Q CA -0.458 55.358 55.803 0.021 0.000 1.090 321 Q CB -0.464 28.172 28.738 -0.172 0.000 1.328 321 Q HN 0.294 nan 8.270 nan 0.000 0.413 322 F N -0.500 119.520 119.950 0.116 0.000 2.147 322 F HA -0.357 4.183 4.527 0.021 0.000 0.301 322 F C 1.688 177.642 175.800 0.256 0.000 1.084 322 F CA 1.400 59.499 58.000 0.165 0.000 1.268 322 F CB -0.737 38.336 39.000 0.121 0.000 1.009 322 F HN 0.388 nan 8.300 nan 0.000 0.486 323 Y N 0.246 119.900 120.300 -1.078 0.000 2.497 323 Y HA 0.186 4.749 4.550 0.021 0.000 0.292 323 Y C 1.302 177.034 175.900 -0.280 0.000 1.137 323 Y CA 0.521 58.119 58.100 -0.836 0.000 1.285 323 Y CB -0.862 36.984 38.460 -1.023 0.000 0.991 323 Y HN 0.203 nan 8.280 nan 0.000 0.556 324 L N -0.012 120.754 121.223 -0.761 0.000 2.653 324 L HA 0.188 4.541 4.340 0.021 0.000 0.231 324 L C -0.094 176.514 176.870 -0.437 0.000 1.153 324 L CA -0.426 54.025 54.840 -0.648 0.000 0.933 324 L CB -0.315 41.268 42.059 -0.793 0.000 1.175 324 L HN 0.134 nan 8.230 nan 0.000 0.473 325 F N 0.044 119.817 119.950 -0.295 0.000 2.518 325 F HA 0.099 4.638 4.527 0.021 0.000 0.359 325 F C 0.750 176.388 175.800 -0.269 0.000 1.118 325 F CA -0.009 57.850 58.000 -0.234 0.000 1.287 325 F CB 0.307 39.259 39.000 -0.080 0.000 1.132 325 F HN -0.138 nan 8.300 nan 0.000 0.587 326 Y N 2.699 122.738 120.300 -0.436 0.000 2.260 326 Y HA -0.021 4.542 4.550 0.021 0.000 0.339 326 Y C 1.652 177.467 175.900 -0.142 0.000 1.317 326 Y CA -0.053 57.861 58.100 -0.310 0.000 1.514 326 Y CB 0.202 38.374 38.460 -0.479 0.000 1.382 326 Y HN 0.571 nan 8.280 nan 0.000 0.581 327 D N 0.213 120.647 120.400 0.058 0.000 2.239 327 D HA -0.199 4.453 4.640 0.021 0.000 0.202 327 D C 1.124 177.376 176.300 -0.079 0.000 0.993 327 D CA 1.241 55.243 54.000 0.002 0.000 0.874 327 D CB -0.115 40.644 40.800 -0.069 0.000 0.922 327 D HN 0.480 nan 8.370 nan 0.000 0.464 328 L N -0.267 120.830 121.223 -0.210 0.000 3.865 328 L HA -0.267 4.085 4.340 0.021 0.000 0.408 328 L C 1.355 177.771 176.870 -0.756 0.000 1.209 328 L CA 1.127 55.767 54.840 -0.334 0.000 0.940 328 L CB -2.337 39.642 42.059 -0.133 0.000 1.971 328 L HN 0.160 nan 8.230 nan 0.000 0.899 329 S N -3.791 111.324 115.700 -0.976 0.000 2.548 329 S HA 0.051 4.534 4.470 0.021 0.000 0.215 329 S C 1.565 175.525 174.600 -1.066 0.000 0.976 329 S CA 0.476 57.537 58.200 -1.898 0.000 0.908 329 S CB -0.215 62.283 63.200 -1.170 0.000 0.781 329 S HN 0.671 nan 8.310 nan 0.000 0.519 330 T N 0.391 114.570 114.554 -0.626 0.000 3.072 330 T HA 0.080 4.443 4.350 0.021 0.000 0.266 330 T C 1.286 175.833 174.700 -0.254 0.000 1.127 330 T CA 0.762 62.642 62.100 -0.367 0.000 1.107 330 T CB -0.341 68.357 68.868 -0.284 0.000 0.910 330 T HN 0.700 nan 8.240 nan 0.000 0.513 331 V N -3.234 116.504 119.914 -0.293 0.000 3.176 331 V HA 0.414 4.547 4.120 0.021 0.000 0.332 331 V C 1.278 177.402 176.094 0.051 0.000 1.414 331 V CA -0.755 61.499 62.300 -0.077 0.000 1.133 331 V CB -1.200 30.627 31.823 0.006 0.000 1.088 331 V HN 0.133 nan 8.190 nan 0.000 0.473 332 Y N 1.404 121.588 120.300 -0.193 0.000 2.352 332 Y HA 0.036 4.599 4.550 0.021 0.000 0.292 332 Y C 2.703 178.569 175.900 -0.057 0.000 1.136 332 Y CA 1.075 59.068 58.100 -0.178 0.000 1.227 332 Y CB -0.739 37.402 38.460 -0.531 0.000 0.991 332 Y HN 0.409 nan 8.280 nan 0.000 0.545 333 S N -0.427 115.335 115.700 0.104 0.000 2.388 333 S HA -0.071 4.412 4.470 0.021 0.000 0.223 333 S C 2.011 176.708 174.600 0.162 0.000 1.034 333 S CA 0.338 58.626 58.200 0.147 0.000 0.963 333 S CB -0.533 62.719 63.200 0.087 0.000 0.827 333 S HN 0.264 nan 8.310 nan 0.000 0.481 334 L N 1.611 122.919 121.223 0.143 0.000 2.189 334 L HA 0.033 4.386 4.340 0.021 0.000 0.214 334 L C 1.246 178.221 176.870 0.175 0.000 1.097 334 L CA 1.688 56.616 54.840 0.147 0.000 0.764 334 L CB -0.412 41.744 42.059 0.162 0.000 0.900 334 L HN 0.301 nan 8.230 nan 0.000 0.436 335 L N -1.843 119.521 121.223 0.235 0.000 2.857 335 L HA 0.154 4.507 4.340 0.021 0.000 0.249 335 L C 1.676 178.677 176.870 0.218 0.000 1.172 335 L CA -0.145 54.843 54.840 0.247 0.000 0.980 335 L CB -0.228 42.046 42.059 0.358 0.000 1.299 335 L HN 0.161 nan 8.230 nan 0.000 0.535 336 E N 1.020 121.343 120.200 0.205 0.000 2.265 336 E HA -0.187 4.175 4.350 0.021 0.000 0.196 336 E C 1.950 178.622 176.600 0.121 0.000 0.996 336 E CA 0.697 57.203 56.400 0.178 0.000 0.832 336 E CB 0.239 30.046 29.700 0.177 0.000 0.756 336 E HN 0.280 nan 8.360 nan 0.000 0.491 337 K N 1.537 122.001 120.400 0.108 0.000 2.335 337 K HA 0.016 4.349 4.320 0.021 0.000 0.195 337 K C 0.805 177.446 176.600 0.069 0.000 1.058 337 K CA 0.089 56.422 56.287 0.077 0.000 0.988 337 K CB 0.288 32.828 32.500 0.066 0.000 0.880 337 K HN 0.051 nan 8.250 nan 0.000 0.513 338 V N 2.571 122.535 119.914 0.083 0.000 2.788 338 V HA -0.013 4.120 4.120 0.021 0.000 0.307 338 V C 0.601 176.727 176.094 0.053 0.000 1.069 338 V CA 0.593 62.934 62.300 0.069 0.000 1.173 338 V CB 0.764 32.641 31.823 0.089 0.000 0.925 338 V HN 0.316 nan 8.190 nan 0.000 0.492 339 K N 4.723 125.147 120.400 0.039 0.000 2.387 339 K HA 0.319 4.652 4.320 0.021 0.000 0.197 339 K C 0.096 176.723 176.600 0.045 0.000 1.127 339 K CA 0.114 56.420 56.287 0.031 0.000 0.950 339 K CB 0.474 32.984 32.500 0.017 0.000 1.017 339 K HN 0.679 nan 8.250 nan 0.000 0.519 340 R N 1.398 121.931 120.500 0.055 0.000 2.476 340 R HA 0.466 4.819 4.340 0.021 0.000 0.305 340 R C -0.845 175.528 176.300 0.121 0.000 0.965 340 R CA -0.373 55.804 56.100 0.129 0.000 0.867 340 R CB 1.677 32.004 30.300 0.046 0.000 1.176 340 R HN -0.031 nan 8.270 nan 0.000 0.447 341 I N 1.969 122.610 120.570 0.118 0.000 2.433 341 I HA 0.316 4.499 4.170 0.021 0.000 0.292 341 I C -0.264 175.898 176.117 0.075 0.000 1.001 341 I CA -0.654 60.686 61.300 0.066 0.000 1.119 341 I CB 2.543 40.533 38.000 -0.016 0.000 1.289 341 I HN 0.453 nan 8.210 nan 0.000 0.438 342 T N 5.578 120.191 114.554 0.098 0.000 2.812 342 T HA 0.514 4.876 4.350 0.021 0.000 0.282 342 T C -0.473 174.258 174.700 0.052 0.000 0.990 342 T CA -0.455 61.694 62.100 0.082 0.000 0.960 342 T CB 1.723 70.672 68.868 0.134 0.000 0.948 342 T HN 0.256 nan 8.240 nan 0.000 0.438 343 V N 3.157 123.076 119.914 0.008 0.000 2.443 343 V HA 0.423 4.556 4.120 0.021 0.000 0.272 343 V C -0.141 175.946 176.094 -0.013 0.000 1.002 343 V CA -0.867 61.437 62.300 0.007 0.000 0.840 343 V CB 1.128 32.946 31.823 -0.008 0.000 1.042 343 V HN 0.886 nan 8.190 nan 0.000 0.446 344 E N 4.076 124.279 120.200 0.006 0.000 2.179 344 E HA 0.357 4.719 4.350 0.021 0.000 0.275 344 E C 0.241 176.839 176.600 -0.003 0.000 0.945 344 E CA -0.701 55.697 56.400 -0.003 0.000 0.792 344 E CB 1.052 30.758 29.700 0.010 0.000 1.125 344 E HN 0.581 nan 8.360 nan 0.000 0.397 345 N N 2.596 121.285 118.700 -0.018 0.000 2.688 345 N HA -0.179 4.573 4.740 0.021 0.000 0.258 345 N C -1.107 174.392 175.510 -0.017 0.000 1.016 345 N CA 1.212 54.251 53.050 -0.019 0.000 0.747 345 N CB -1.196 37.288 38.487 -0.004 0.000 0.895 345 N HN 0.360 nan 8.380 nan 0.000 0.543 346 S N 0.071 115.747 115.700 -0.041 0.000 2.847 346 S HA 0.200 4.682 4.470 0.021 0.000 0.254 346 S C 0.215 174.749 174.600 -0.110 0.000 1.039 346 S CA -0.134 58.033 58.200 -0.055 0.000 1.113 346 S CB 0.523 63.692 63.200 -0.052 0.000 1.092 346 S HN 0.489 nan 8.310 nan 0.000 0.620 347 K N 0.755 121.079 120.400 -0.127 0.000 3.338 347 K HA -0.102 4.231 4.320 0.021 0.000 0.292 347 K C -0.502 176.079 176.600 -0.032 0.000 1.268 347 K CA 0.174 56.346 56.287 -0.193 0.000 0.853 347 K CB -2.341 29.837 32.500 -0.537 0.000 1.342 347 K HN 0.264 nan 8.250 nan 0.000 0.501 348 V N 2.191 122.070 119.914 -0.058 0.000 2.540 348 V HA -0.023 4.110 4.120 0.021 0.000 0.297 348 V C 1.157 177.237 176.094 -0.024 0.000 1.024 348 V CA 0.889 63.125 62.300 -0.106 0.000 1.105 348 V CB -0.385 31.375 31.823 -0.106 0.000 0.938 348 V HN 0.373 nan 8.190 nan 0.000 0.482 349 F N 3.916 123.816 119.950 -0.084 0.000 2.746 349 F HA 0.734 5.274 4.527 0.021 0.000 0.320 349 F C -0.436 175.125 175.800 -0.400 0.000 1.097 349 F CA -0.691 57.168 58.000 -0.235 0.000 1.195 349 F CB 0.454 39.288 39.000 -0.275 0.000 1.056 349 F HN 0.360 nan 8.300 nan 0.000 0.562 350 L N 1.178 122.085 121.223 -0.526 0.000 2.787 350 L HA 0.569 4.921 4.340 0.021 0.000 0.260 350 L C -1.871 174.923 176.870 -0.126 0.000 0.921 350 L CA -0.558 54.154 54.840 -0.215 0.000 0.984 350 L CB 2.018 44.007 42.059 -0.116 0.000 1.519 350 L HN -0.128 nan 8.230 nan 0.000 0.452 351 V N 6.195 126.139 119.914 0.050 0.000 2.304 351 V HA 0.415 4.548 4.120 0.021 0.000 0.269 351 V C -2.015 174.146 176.094 0.112 0.000 1.036 351 V CA -1.581 60.801 62.300 0.137 0.000 0.840 351 V CB 0.835 32.791 31.823 0.222 0.000 1.036 351 V HN 0.659 nan 8.190 nan 0.000 0.466 352 P HA -0.040 nan 4.420 nan 0.000 0.260 352 P C 1.165 178.492 177.300 0.045 0.000 1.172 352 P CA 0.229 63.409 63.100 0.134 0.000 0.760 352 P CB 0.384 32.212 31.700 0.214 0.000 0.773 353 c N 3.203 121.788 118.600 -0.025 0.000 2.369 353 c HA -0.244 4.339 4.570 0.021 0.000 0.273 353 c C 2.864 176.883 174.090 -0.118 0.000 1.172 353 c CA 2.378 58.638 56.329 -0.116 0.000 1.791 353 c CB -1.585 40.879 42.510 -0.076 0.000 2.086 353 c HN 0.654 nan 8.230 nan 0.000 0.459 354 S N -0.993 114.679 115.700 -0.047 0.000 2.370 354 S HA -0.159 4.324 4.470 0.021 0.000 0.226 354 S C 1.726 176.159 174.600 -0.279 0.000 1.033 354 S CA 1.626 59.788 58.200 -0.064 0.000 1.011 354 S CB -0.703 62.544 63.200 0.080 0.000 0.852 354 S HN 0.673 nan 8.310 nan 0.000 0.457 355 F N 2.545 122.049 119.950 -0.743 0.000 2.065 355 F HA -0.101 4.439 4.527 0.021 0.000 0.298 355 F C 2.657 178.270 175.800 -0.311 0.000 1.112 355 F CA 1.796 59.291 58.000 -0.841 0.000 1.212 355 F CB -1.372 37.440 39.000 -0.313 0.000 0.975 355 F HN 0.193 nan 8.300 nan 0.000 0.476 356 S N -0.091 115.480 115.700 -0.215 0.000 2.387 356 S HA -0.274 4.208 4.470 0.021 0.000 0.230 356 S C 1.801 176.209 174.600 -0.321 0.000 1.035 356 S CA 1.623 59.533 58.200 -0.483 0.000 1.014 356 S CB -0.443 62.178 63.200 -0.965 0.000 0.836 356 S HN 0.557 nan 8.310 nan 0.000 0.466 357 Q N -0.907 118.761 119.800 -0.219 0.000 2.435 357 Q HA -0.002 4.350 4.340 0.021 0.000 0.207 357 Q C 1.294 177.209 176.000 -0.142 0.000 0.956 357 Q CA 0.757 56.458 55.803 -0.169 0.000 0.917 357 Q CB -0.005 28.638 28.738 -0.158 0.000 0.997 357 Q HN 0.647 nan 8.270 nan 0.000 0.497 358 H N -0.743 118.282 119.070 -0.075 0.000 2.595 358 H HA 0.170 4.739 4.556 0.021 0.000 0.265 358 H C 0.222 175.595 175.328 0.074 0.000 0.953 358 H CA 0.087 56.145 56.048 0.018 0.000 1.197 358 H CB 0.567 30.352 29.762 0.037 0.000 1.438 358 H HN 0.015 nan 8.280 nan 0.000 0.531 359 L N 1.897 123.207 121.223 0.145 0.000 2.533 359 L HA 0.013 4.365 4.340 0.021 0.000 0.239 359 L C 1.102 178.048 176.870 0.126 0.000 1.376 359 L CA -0.172 54.748 54.840 0.134 0.000 1.240 359 L CB 0.056 42.182 42.059 0.113 0.000 1.487 359 L HN 0.188 nan 8.230 nan 0.000 0.419 360 K N -0.049 120.406 120.400 0.091 0.000 2.009 360 K HA -0.098 4.235 4.320 0.021 0.000 0.210 360 K C 1.564 178.204 176.600 0.066 0.000 1.049 360 K CA 1.308 57.630 56.287 0.059 0.000 0.929 360 K CB -0.190 32.333 32.500 0.038 0.000 0.714 360 K HN 0.346 nan 8.250 nan 0.000 0.440 361 S N 1.065 116.804 115.700 0.066 0.000 2.671 361 S HA 0.050 4.532 4.470 0.021 0.000 0.220 361 S C 0.330 174.957 174.600 0.044 0.000 0.951 361 S CA -0.357 57.874 58.200 0.051 0.000 0.932 361 S CB -0.135 63.095 63.200 0.049 0.000 0.777 361 S HN 0.076 nan 8.310 nan 0.000 0.508 362 L N 2.335 123.587 121.223 0.049 0.000 2.313 362 L HA 0.275 4.627 4.340 0.021 0.000 0.282 362 L C 0.825 177.686 176.870 -0.014 0.000 1.092 362 L CA 0.614 55.459 54.840 0.008 0.000 0.831 362 L CB 0.509 42.553 42.059 -0.024 0.000 1.159 362 L HN 0.039 nan 8.230 nan 0.000 0.442 363 E N 3.418 123.616 120.200 -0.005 0.000 2.290 363 E HA 0.096 4.459 4.350 0.021 0.000 0.199 363 E C -0.688 175.924 176.600 0.020 0.000 0.912 363 E CA 0.104 56.509 56.400 0.008 0.000 0.924 363 E CB 0.564 30.282 29.700 0.029 0.000 0.901 363 E HN 0.467 nan 8.360 nan 0.000 0.487 364 F N 1.384 121.247 119.950 -0.145 0.000 2.482 364 F HA 0.510 5.050 4.527 0.021 0.000 0.331 364 F C -1.478 174.185 175.800 -0.228 0.000 1.115 364 F CA -1.272 56.624 58.000 -0.173 0.000 0.955 364 F CB 1.305 40.222 39.000 -0.138 0.000 1.136 364 F HN -0.204 nan 8.300 nan 0.000 0.452 365 L N 6.373 127.033 121.223 -0.938 0.000 2.441 365 L HA 0.468 4.821 4.340 0.021 0.000 0.270 365 L C -1.908 174.415 176.870 -0.912 0.000 0.973 365 L CA -0.238 54.115 54.840 -0.812 0.000 0.842 365 L CB 1.534 43.087 42.059 -0.844 0.000 1.239 365 L HN 0.618 nan 8.230 nan 0.000 0.406 366 D N 5.140 125.148 120.400 -0.653 0.000 2.454 366 D HA 0.348 5.001 4.640 0.021 0.000 0.247 366 D C -0.610 175.561 176.300 -0.215 0.000 1.129 366 D CA -0.037 53.708 54.000 -0.425 0.000 0.877 366 D CB 0.894 41.578 40.800 -0.194 0.000 1.082 366 D HN 0.630 nan 8.370 nan 0.000 0.537 367 L N 2.541 123.647 121.223 -0.195 0.000 3.108 367 L HA 0.280 4.633 4.340 0.021 0.000 0.251 367 L C 0.379 177.200 176.870 -0.082 0.000 1.315 367 L CA -0.404 54.365 54.840 -0.118 0.000 1.048 367 L CB 0.357 42.353 42.059 -0.106 0.000 1.432 367 L HN 0.132 nan 8.230 nan 0.000 0.543 368 S N 0.515 116.171 115.700 -0.074 0.000 2.562 368 S HA 0.066 4.549 4.470 0.021 0.000 0.281 368 S C 0.876 175.443 174.600 -0.055 0.000 1.333 368 S CA -0.118 58.046 58.200 -0.059 0.000 1.052 368 S CB 0.867 64.041 63.200 -0.044 0.000 0.884 368 S HN 0.548 nan 8.310 nan 0.000 0.506 369 E N 0.317 120.475 120.200 -0.070 0.000 2.553 369 E HA -0.225 4.137 4.350 0.021 0.000 0.264 369 E C -0.404 176.158 176.600 -0.063 0.000 1.068 369 E CA 0.450 56.806 56.400 -0.073 0.000 0.774 369 E CB -1.416 28.255 29.700 -0.048 0.000 1.349 369 E HN 0.752 nan 8.360 nan 0.000 0.404 370 N N -1.194 117.471 118.700 -0.059 0.000 3.178 370 N HA 0.512 5.265 4.740 0.021 0.000 0.352 370 N C -0.244 175.288 175.510 0.037 0.000 1.423 370 N CA -0.782 52.255 53.050 -0.022 0.000 0.698 370 N CB 0.306 38.781 38.487 -0.020 0.000 1.400 370 N HN -0.057 nan 8.380 nan 0.000 0.586 371 L N 0.860 122.143 121.223 0.100 0.000 3.014 371 L HA 0.385 4.738 4.340 0.021 0.000 0.263 371 L C -0.637 176.367 176.870 0.223 0.000 1.207 371 L CA 0.087 55.055 54.840 0.212 0.000 1.017 371 L CB -0.333 41.845 42.059 0.197 0.000 1.360 371 L HN 0.511 nan 8.230 nan 0.000 0.560 372 M N 1.616 121.314 119.600 0.164 0.000 2.252 372 M HA 0.217 4.709 4.480 0.021 0.000 0.348 372 M C 0.131 176.576 176.300 0.241 0.000 1.334 372 M CA 0.377 55.801 55.300 0.207 0.000 1.071 372 M CB 0.309 32.997 32.600 0.146 0.000 1.763 372 M HN 0.001 nan 8.290 nan 0.000 0.452 373 V N 1.062 121.174 119.914 0.330 0.000 2.962 373 V HA 0.451 4.584 4.120 0.021 0.000 0.313 373 V C 0.778 176.977 176.094 0.174 0.000 1.099 373 V CA -0.907 61.530 62.300 0.229 0.000 0.971 373 V CB 1.595 33.550 31.823 0.219 0.000 1.028 373 V HN 0.778 nan 8.190 nan 0.000 0.430 374 E N 1.234 121.499 120.200 0.109 0.000 2.169 374 E HA -0.267 4.096 4.350 0.021 0.000 0.202 374 E C 1.627 178.247 176.600 0.035 0.000 1.016 374 E CA 2.426 58.874 56.400 0.079 0.000 0.817 374 E CB -0.266 29.471 29.700 0.061 0.000 0.736 374 E HN 0.959 nan 8.360 nan 0.000 0.462 375 E N -0.594 119.585 120.200 -0.037 0.000 2.085 375 E HA -0.180 4.183 4.350 0.021 0.000 0.194 375 E C 1.813 178.291 176.600 -0.204 0.000 0.994 375 E CA 1.342 57.637 56.400 -0.175 0.000 0.801 375 E CB -0.343 29.163 29.700 -0.324 0.000 0.743 375 E HN 0.500 nan 8.360 nan 0.000 0.453 376 Y N -0.346 120.010 120.300 0.093 0.000 2.206 376 Y HA -0.046 4.517 4.550 0.021 0.000 0.292 376 Y C 2.140 178.089 175.900 0.081 0.000 1.123 376 Y CA 0.296 58.461 58.100 0.108 0.000 1.142 376 Y CB -0.269 38.289 38.460 0.164 0.000 1.006 376 Y HN 0.018 nan 8.280 nan 0.000 0.518 377 L N 1.178 122.546 121.223 0.242 0.000 2.189 377 L HA -0.245 4.108 4.340 0.021 0.000 0.214 377 L C 2.239 179.165 176.870 0.093 0.000 1.097 377 L CA 1.785 56.730 54.840 0.174 0.000 0.764 377 L CB -0.529 41.631 42.059 0.168 0.000 0.900 377 L HN 0.125 nan 8.230 nan 0.000 0.436 378 K N -1.016 119.420 120.400 0.059 0.000 2.211 378 K HA -0.185 4.148 4.320 0.021 0.000 0.203 378 K C 2.027 178.622 176.600 -0.008 0.000 1.050 378 K CA 1.317 57.611 56.287 0.012 0.000 0.945 378 K CB -0.142 32.354 32.500 -0.006 0.000 0.732 378 K HN 0.526 nan 8.250 nan 0.000 0.451 379 N N -0.435 118.275 118.700 0.017 0.000 2.251 379 N HA -0.051 4.702 4.740 0.021 0.000 0.181 379 N C 1.320 176.787 175.510 -0.071 0.000 1.019 379 N CA 0.758 53.806 53.050 -0.003 0.000 0.862 379 N CB 0.189 38.711 38.487 0.058 0.000 0.992 379 N HN 0.041 nan 8.380 nan 0.000 0.429 380 S N 0.294 115.964 115.700 -0.051 0.000 2.423 380 S HA 0.032 4.515 4.470 0.021 0.000 0.231 380 S C 0.986 175.236 174.600 -0.583 0.000 1.014 380 S CA 0.633 58.713 58.200 -0.200 0.000 0.965 380 S CB 0.045 63.260 63.200 0.024 0.000 0.785 380 S HN 0.467 nan 8.310 nan 0.000 0.495 381 A N 1.491 124.112 122.820 -0.331 0.000 3.173 381 A HA 0.477 4.809 4.320 0.021 0.000 0.304 381 A C 0.617 178.079 177.584 -0.203 0.000 1.318 381 A CA -0.873 50.963 52.037 -0.336 0.000 1.069 381 A CB -0.921 18.056 19.000 -0.037 0.000 1.147 381 A HN 0.560 nan 8.150 nan 0.000 0.547 382 c N -0.396 118.054 118.600 -0.249 0.000 2.560 382 c HA 0.425 5.008 4.570 0.021 0.000 0.334 382 c C 1.959 175.972 174.090 -0.129 0.000 1.404 382 c CA -0.387 55.850 56.329 -0.153 0.000 2.410 382 c CB 0.292 42.717 42.510 -0.142 0.000 2.268 382 c HN 0.833 nan 8.230 nan 0.000 0.673 383 K N 0.390 120.738 120.400 -0.087 0.000 2.160 383 K HA -0.082 4.251 4.320 0.021 0.000 0.206 383 K C 1.601 178.159 176.600 -0.069 0.000 1.047 383 K CA 1.936 58.184 56.287 -0.064 0.000 0.930 383 K CB -0.619 31.853 32.500 -0.046 0.000 0.720 383 K HN 0.962 nan 8.250 nan 0.000 0.450 384 G N -0.549 108.194 108.800 -0.095 0.000 3.502 384 G HA2 0.370 4.343 3.960 0.021 0.000 0.267 384 G HA3 0.370 4.343 3.960 0.021 0.000 0.267 384 G C -0.266 174.556 174.900 -0.129 0.000 1.090 384 G CA 0.030 45.075 45.100 -0.091 0.000 0.795 384 G HN 0.343 nan 8.290 nan 0.000 0.535 385 A N -0.540 122.163 122.820 -0.195 0.000 2.351 385 A HA 0.510 4.842 4.320 0.021 0.000 0.257 385 A C 0.632 178.144 177.584 -0.120 0.000 1.087 385 A CA -0.412 51.408 52.037 -0.361 0.000 0.798 385 A CB -0.045 18.538 19.000 -0.695 0.000 1.033 385 A HN 0.573 nan 8.150 nan 0.000 0.488 386 W N -0.246 121.015 121.300 -0.065 0.000 7.168 386 W HA -0.132 4.540 4.660 0.021 0.000 0.415 386 W C -1.919 174.575 176.519 -0.042 0.000 1.614 386 W CA 0.251 57.558 57.345 -0.064 0.000 1.165 386 W CB -2.345 27.072 29.460 -0.071 0.000 2.824 386 W HN 0.640 nan 8.180 nan 0.000 1.619 387 P HA -0.160 nan 4.420 nan 0.000 0.217 387 P C 1.393 178.738 177.300 0.076 0.000 1.148 387 P CA 2.331 65.477 63.100 0.078 0.000 0.828 387 P CB 0.112 31.835 31.700 0.038 0.000 0.783 388 S N -1.585 114.163 115.700 0.080 0.000 2.557 388 S HA 0.146 4.629 4.470 0.021 0.000 0.223 388 S C 0.501 175.126 174.600 0.041 0.000 0.969 388 S CA -0.406 57.825 58.200 0.052 0.000 0.927 388 S CB -0.506 62.719 63.200 0.041 0.000 0.806 388 S HN 0.000 nan 8.310 nan 0.000 0.489 389 L N 2.590 123.847 121.223 0.057 0.000 2.462 389 L HA 0.132 4.485 4.340 0.021 0.000 0.272 389 L C 0.964 177.833 176.870 -0.002 0.000 1.166 389 L CA 0.955 55.792 54.840 -0.006 0.000 0.880 389 L CB 0.521 42.566 42.059 -0.023 0.000 1.142 389 L HN 0.141 nan 8.230 nan 0.000 0.473 390 Q N 1.454 121.241 119.800 -0.022 0.000 2.431 390 Q HA 0.216 4.569 4.340 0.021 0.000 0.244 390 Q C -0.381 175.598 176.000 -0.036 0.000 0.880 390 Q CA 0.347 56.144 55.803 -0.009 0.000 0.954 390 Q CB 0.744 29.484 28.738 0.004 0.000 1.105 390 Q HN 0.691 nan 8.270 nan 0.000 0.558 391 T N 1.282 115.790 114.554 -0.077 0.000 2.840 391 T HA 0.449 4.812 4.350 0.021 0.000 0.287 391 T C -1.445 173.072 174.700 -0.304 0.000 0.991 391 T CA -0.497 61.520 62.100 -0.139 0.000 0.964 391 T CB 1.611 70.459 68.868 -0.033 0.000 0.954 391 T HN -0.080 nan 8.240 nan 0.000 0.438 392 L N 4.676 125.747 121.223 -0.252 0.000 2.329 392 L HA 0.774 5.126 4.340 0.021 0.000 0.279 392 L C -1.082 175.626 176.870 -0.271 0.000 1.014 392 L CA -0.845 53.807 54.840 -0.314 0.000 0.814 392 L CB 1.575 43.530 42.059 -0.174 0.000 1.257 392 L HN 0.473 nan 8.230 nan 0.000 0.424 393 V N 7.092 126.799 119.914 -0.343 0.000 2.380 393 V HA 0.371 4.504 4.120 0.021 0.000 0.286 393 V C 0.134 176.137 176.094 -0.152 0.000 1.015 393 V CA -0.269 61.899 62.300 -0.220 0.000 0.834 393 V CB 1.302 32.974 31.823 -0.252 0.000 1.009 393 V HN 0.653 nan 8.190 nan 0.000 0.428 394 L N 3.078 124.264 121.223 -0.062 0.000 3.141 394 L HA 0.349 4.701 4.340 0.021 0.000 0.263 394 L C 0.913 177.773 176.870 -0.016 0.000 1.312 394 L CA 0.169 54.992 54.840 -0.028 0.000 1.012 394 L CB 0.955 43.032 42.059 0.029 0.000 1.408 394 L HN 0.635 nan 8.230 nan 0.000 0.559 395 S N 0.492 116.174 115.700 -0.030 0.000 2.579 395 S HA 0.041 4.524 4.470 0.021 0.000 0.275 395 S C 0.817 175.374 174.600 -0.070 0.000 1.345 395 S CA 0.271 58.453 58.200 -0.030 0.000 1.031 395 S CB 0.575 63.761 63.200 -0.024 0.000 0.892 395 S HN 0.611 nan 8.310 nan 0.000 0.529 396 Q N 1.054 120.796 119.800 -0.097 0.000 2.453 396 Q HA -0.271 4.082 4.340 0.021 0.000 0.294 396 Q C -0.659 175.207 176.000 -0.222 0.000 1.295 396 Q CA 0.893 56.604 55.803 -0.153 0.000 0.853 396 Q CB -1.378 27.294 28.738 -0.110 0.000 1.193 396 Q HN 0.778 nan 8.270 nan 0.000 0.461 397 N N -1.113 117.452 118.700 -0.225 0.000 2.786 397 N HA 0.343 5.095 4.740 0.021 0.000 0.315 397 N C -0.169 175.078 175.510 -0.438 0.000 1.359 397 N CA -0.489 52.402 53.050 -0.265 0.000 0.846 397 N CB 0.403 38.842 38.487 -0.080 0.000 1.117 397 N HN 0.194 nan 8.380 nan 0.000 0.541 398 H N -0.065 118.974 119.070 -0.053 0.000 2.505 398 H HA 0.319 4.888 4.556 0.021 0.000 0.260 398 H C -0.533 174.722 175.328 -0.121 0.000 1.168 398 H CA -0.203 55.796 56.048 -0.081 0.000 0.945 398 H CB -0.278 29.469 29.762 -0.024 0.000 1.800 398 H HN 0.180 nan 8.280 nan 0.000 0.586 399 L N 0.640 121.784 121.223 -0.131 0.000 2.456 399 L HA 0.156 4.508 4.340 0.021 0.000 0.272 399 L C 1.486 178.123 176.870 -0.388 0.000 1.189 399 L CA 0.384 55.118 54.840 -0.178 0.000 0.846 399 L CB 0.984 42.953 42.059 -0.149 0.000 1.111 399 L HN 0.140 nan 8.230 nan 0.000 0.475 400 R N 0.311 120.701 120.500 -0.183 0.000 2.521 400 R HA 0.145 4.498 4.340 0.021 0.000 0.289 400 R C -0.183 176.147 176.300 0.050 0.000 0.936 400 R CA 0.054 55.986 56.100 -0.279 0.000 1.089 400 R CB 1.109 31.150 30.300 -0.431 0.000 1.348 400 R HN 0.582 nan 8.270 nan 0.000 0.536 401 S N 0.444 116.336 115.700 0.319 0.000 2.789 401 S HA 0.267 4.749 4.470 0.021 0.000 0.286 401 S C 0.770 175.527 174.600 0.261 0.000 1.153 401 S CA -0.458 57.940 58.200 0.331 0.000 1.084 401 S CB 0.916 64.241 63.200 0.208 0.000 1.036 401 S HN 0.105 nan 8.310 nan 0.000 0.484 402 M N 3.005 122.629 119.600 0.040 0.000 2.195 402 M HA -0.190 4.303 4.480 0.021 0.000 0.260 402 M C 2.279 178.469 176.300 -0.184 0.000 1.066 402 M CA 1.763 56.965 55.300 -0.163 0.000 1.089 402 M CB -0.193 32.262 32.600 -0.242 0.000 1.377 402 M HN 0.820 nan 8.290 nan 0.000 0.411 403 Q N 0.585 120.317 119.800 -0.114 0.000 2.046 403 Q HA -0.189 4.164 4.340 0.021 0.000 0.200 403 Q C 1.856 177.727 176.000 -0.214 0.000 0.975 403 Q CA 1.481 57.167 55.803 -0.195 0.000 0.836 403 Q CB 0.097 28.783 28.738 -0.087 0.000 0.896 403 Q HN 0.433 nan 8.270 nan 0.000 0.428 404 K N -0.496 119.849 120.400 -0.090 0.000 2.057 404 K HA -0.111 4.222 4.320 0.021 0.000 0.207 404 K C 2.153 178.697 176.600 -0.093 0.000 1.049 404 K CA 1.773 58.021 56.287 -0.065 0.000 0.931 404 K CB -0.087 32.418 32.500 0.008 0.000 0.714 404 K HN 0.265 nan 8.250 nan 0.000 0.440 405 T N 0.184 114.696 114.554 -0.069 0.000 2.622 405 T HA -0.143 4.220 4.350 0.021 0.000 0.266 405 T C 1.970 176.549 174.700 -0.202 0.000 1.047 405 T CA 1.633 63.711 62.100 -0.036 0.000 1.159 405 T CB -0.735 68.210 68.868 0.128 0.000 0.863 405 T HN 0.465 nan 8.240 nan 0.000 0.422 406 G N 0.637 109.052 108.800 -0.641 0.000 2.450 406 G HA2 -0.247 3.726 3.960 0.021 0.000 0.220 406 G HA3 -0.247 3.726 3.960 0.021 0.000 0.220 406 G C 1.388 175.984 174.900 -0.506 0.000 1.130 406 G CA 1.127 45.622 45.100 -1.008 0.000 0.760 406 G HN 0.626 nan 8.290 nan 0.000 0.557 407 E N -0.173 119.791 120.200 -0.392 0.000 2.170 407 E HA 0.027 4.390 4.350 0.021 0.000 0.191 407 E C 2.386 178.915 176.600 -0.118 0.000 0.981 407 E CA 0.085 56.349 56.400 -0.226 0.000 0.830 407 E CB -0.123 29.464 29.700 -0.189 0.000 0.775 407 E HN 0.491 nan 8.360 nan 0.000 0.470 408 I N 0.911 121.426 120.570 -0.092 0.000 2.286 408 I HA -0.248 3.935 4.170 0.021 0.000 0.248 408 I C 1.950 178.063 176.117 -0.006 0.000 1.115 408 I CA 0.889 62.168 61.300 -0.035 0.000 1.392 408 I CB 0.006 38.004 38.000 -0.003 0.000 1.065 408 I HN 0.177 nan 8.210 nan 0.000 0.418 409 L N 0.189 121.415 121.223 0.004 0.000 2.599 409 L HA -0.033 4.319 4.340 0.021 0.000 0.230 409 L C 2.094 179.000 176.870 0.060 0.000 1.141 409 L CA 0.131 55.012 54.840 0.069 0.000 0.877 409 L CB -0.274 41.860 42.059 0.125 0.000 1.009 409 L HN 0.272 nan 8.230 nan 0.000 0.447 410 L N -0.193 121.039 121.223 0.015 0.000 2.187 410 L HA -0.186 4.167 4.340 0.021 0.000 0.213 410 L C 2.656 179.542 176.870 0.027 0.000 1.100 410 L CA 1.717 56.569 54.840 0.020 0.000 0.765 410 L CB -1.215 40.837 42.059 -0.011 0.000 0.904 410 L HN 0.493 nan 8.230 nan 0.000 0.437 411 T N -1.666 112.899 114.554 0.019 0.000 2.929 411 T HA -0.104 4.258 4.350 0.021 0.000 0.271 411 T C 0.982 175.705 174.700 0.038 0.000 1.085 411 T CA 0.555 62.662 62.100 0.011 0.000 1.125 411 T CB -0.513 68.344 68.868 -0.017 0.000 0.874 411 T HN 0.197 nan 8.240 nan 0.000 0.494 412 L N 1.673 122.941 121.223 0.075 0.000 2.302 412 L HA 0.353 4.705 4.340 0.021 0.000 0.285 412 L C 1.269 178.188 176.870 0.082 0.000 1.090 412 L CA -0.790 54.112 54.840 0.104 0.000 0.866 412 L CB 0.666 42.819 42.059 0.157 0.000 1.244 412 L HN -0.062 nan 8.230 nan 0.000 0.435 413 K N 1.119 121.557 120.400 0.063 0.000 2.103 413 K HA -0.004 4.328 4.320 0.021 0.000 0.204 413 K C 1.041 177.673 176.600 0.053 0.000 1.052 413 K CA 0.938 57.256 56.287 0.052 0.000 0.945 413 K CB 0.140 32.662 32.500 0.037 0.000 0.722 413 K HN 0.504 nan 8.250 nan 0.000 0.443 414 N N 1.003 119.736 118.700 0.055 0.000 2.322 414 N HA -0.008 4.745 4.740 0.021 0.000 0.194 414 N C -0.050 175.488 175.510 0.047 0.000 1.126 414 N CA -0.073 53.005 53.050 0.047 0.000 0.845 414 N CB 0.184 38.696 38.487 0.042 0.000 0.976 414 N HN 0.043 nan 8.380 nan 0.000 0.475 415 L N 1.509 122.769 121.223 0.060 0.000 2.418 415 L HA 0.069 4.422 4.340 0.021 0.000 0.274 415 L C 1.413 178.318 176.870 0.058 0.000 1.135 415 L CA 0.664 55.539 54.840 0.057 0.000 0.870 415 L CB 0.836 42.944 42.059 0.082 0.000 1.154 415 L HN 0.037 nan 8.230 nan 0.000 0.462 416 T N -0.796 113.783 114.554 0.042 0.000 3.058 416 T HA 0.266 4.629 4.350 0.021 0.000 0.278 416 T C 0.277 175.014 174.700 0.063 0.000 0.974 416 T CA 0.293 62.421 62.100 0.048 0.000 0.893 416 T CB 0.003 68.892 68.868 0.035 0.000 1.138 416 T HN 0.549 nan 8.240 nan 0.000 0.529 417 S N 0.698 116.425 115.700 0.046 0.000 2.599 417 S HA 0.615 5.098 4.470 0.021 0.000 0.269 417 S C -1.697 172.918 174.600 0.025 0.000 1.135 417 S CA -0.819 57.413 58.200 0.054 0.000 1.027 417 S CB 1.150 64.281 63.200 -0.114 0.000 1.129 417 S HN 0.487 nan 8.310 nan 0.000 0.458 418 L N 3.506 124.812 121.223 0.137 0.000 2.362 418 L HA 0.887 5.240 4.340 0.021 0.000 0.271 418 L C -1.381 175.588 176.870 0.164 0.000 1.002 418 L CA -0.078 54.823 54.840 0.101 0.000 0.818 418 L CB 2.053 44.186 42.059 0.124 0.000 1.298 418 L HN 0.745 nan 8.230 nan 0.000 0.420 419 D N 4.515 124.972 120.400 0.095 0.000 2.421 419 D HA 0.279 4.932 4.640 0.021 0.000 0.254 419 D C -0.030 176.331 176.300 0.101 0.000 1.238 419 D CA -0.227 53.844 54.000 0.120 0.000 0.919 419 D CB 0.820 41.660 40.800 0.066 0.000 1.152 419 D HN 0.615 nan 8.370 nan 0.000 0.552 420 I N 1.231 121.893 120.570 0.153 0.000 3.816 420 I HA 0.287 4.469 4.170 0.021 0.000 0.334 420 I C 0.384 176.640 176.117 0.231 0.000 1.551 420 I CA -0.604 60.829 61.300 0.222 0.000 1.153 420 I CB 0.055 38.290 38.000 0.391 0.000 1.197 420 I HN 0.124 nan 8.210 nan 0.000 0.439 421 S N 1.271 117.050 115.700 0.132 0.000 2.598 421 S HA 0.267 4.750 4.470 0.021 0.000 0.256 421 S C 0.914 175.535 174.600 0.035 0.000 1.350 421 S CA -0.250 58.007 58.200 0.095 0.000 0.984 421 S CB 0.373 63.606 63.200 0.054 0.000 0.930 421 S HN 0.663 nan 8.310 nan 0.000 0.577 422 R N -0.231 120.276 120.500 0.013 0.000 3.610 422 R HA -0.175 4.178 4.340 0.021 0.000 0.274 422 R C -1.214 175.025 176.300 -0.102 0.000 1.123 422 R CA 0.813 56.892 56.100 -0.036 0.000 0.747 422 R CB -2.426 27.847 30.300 -0.045 0.000 1.149 422 R HN 0.629 nan 8.270 nan 0.000 0.471 423 N N 0.141 118.761 118.700 -0.134 0.000 2.479 423 N HA 0.107 4.860 4.740 0.021 0.000 0.261 423 N C -0.466 174.800 175.510 -0.407 0.000 0.979 423 N CA -0.437 52.397 53.050 -0.361 0.000 0.930 423 N CB 1.742 39.853 38.487 -0.627 0.000 1.172 423 N HN 0.043 nan 8.380 nan 0.000 0.499 424 T N 0.806 115.197 114.554 -0.272 0.000 4.597 424 T HA 0.070 4.433 4.350 0.021 0.000 0.214 424 T C 0.476 175.081 174.700 -0.159 0.000 0.868 424 T CA 0.005 62.019 62.100 -0.145 0.000 1.157 424 T CB -1.586 67.237 68.868 -0.075 0.000 1.378 424 T HN 0.253 nan 8.240 nan 0.000 1.011 425 F N 2.396 122.329 119.950 -0.028 0.000 2.563 425 F HA 0.090 4.630 4.527 0.021 0.000 0.363 425 F C 1.753 177.551 175.800 -0.004 0.000 1.123 425 F CA -0.394 57.580 58.000 -0.044 0.000 1.307 425 F CB 0.442 39.459 39.000 0.028 0.000 1.115 425 F HN 0.406 nan 8.300 nan 0.000 0.592 426 H N 2.330 121.571 119.070 0.286 0.000 2.745 426 H HA 0.115 4.683 4.556 0.021 0.000 0.373 426 H C -2.010 173.413 175.328 0.159 0.000 1.226 426 H CA -1.963 54.189 56.048 0.174 0.000 1.435 426 H CB -0.272 29.570 29.762 0.133 0.000 1.461 426 H HN 0.226 nan 8.280 nan 0.000 0.616 427 P HA -0.012 nan 4.420 nan 0.000 0.262 427 P C 0.327 177.691 177.300 0.108 0.000 1.199 427 P CA 0.098 63.280 63.100 0.136 0.000 0.763 427 P CB 0.058 31.813 31.700 0.091 0.000 0.790 428 M N 4.902 124.546 119.600 0.074 0.000 2.248 428 M HA 0.394 4.887 4.480 0.021 0.000 0.337 428 M C -2.326 174.000 176.300 0.044 0.000 1.121 428 M CA -1.169 54.161 55.300 0.051 0.000 1.155 428 M CB -0.214 32.404 32.600 0.030 0.000 1.514 428 M HN 0.112 nan 8.290 nan 0.000 0.452 429 P HA 0.356 nan 4.420 nan 0.000 0.321 429 P C -0.474 176.844 177.300 0.029 0.000 1.304 429 P CA -0.331 62.787 63.100 0.030 0.000 0.759 429 P CB 0.653 32.367 31.700 0.023 0.000 1.385 430 D N -1.641 118.771 120.400 0.021 0.000 2.183 430 D HA 0.002 4.655 4.640 0.021 0.000 0.205 430 D C 0.287 176.606 176.300 0.032 0.000 0.962 430 D CA 1.374 55.386 54.000 0.021 0.000 0.849 430 D CB 0.022 40.830 40.800 0.012 0.000 0.978 430 D HN 0.107 nan 8.370 nan 0.000 0.488 431 S N -0.176 115.540 115.700 0.027 0.000 2.566 431 S HA 0.453 4.936 4.470 0.021 0.000 0.324 431 S C -0.668 173.940 174.600 0.013 0.000 1.081 431 S CA -0.616 57.599 58.200 0.025 0.000 1.105 431 S CB 0.234 63.440 63.200 0.010 0.000 0.981 431 S HN 0.095 nan 8.310 nan 0.000 0.464 432 c N 3.396 122.018 118.600 0.037 0.000 2.971 432 c HA 0.680 5.263 4.570 0.021 0.000 0.310 432 c C -0.741 173.308 174.090 -0.068 0.000 1.285 432 c CA -1.019 55.281 56.329 -0.049 0.000 1.593 432 c CB 1.810 44.342 42.510 0.035 0.000 2.076 432 c HN 0.807 nan 8.230 nan 0.000 0.472 433 Q N -0.175 119.456 119.800 -0.282 0.000 2.377 433 Q HA 0.678 5.031 4.340 0.021 0.000 0.271 433 Q C -1.750 173.987 176.000 -0.438 0.000 1.077 433 Q CA -0.303 55.394 55.803 -0.177 0.000 0.820 433 Q CB 2.300 30.969 28.738 -0.116 0.000 1.347 433 Q HN 0.728 nan 8.270 nan 0.000 0.444 434 W N 0.071 121.373 121.300 0.003 0.000 3.038 434 W HA 0.439 5.112 4.660 0.021 0.000 0.347 434 W C -2.476 174.051 176.519 0.014 0.000 1.219 434 W CA -2.121 55.229 57.345 0.009 0.000 1.142 434 W CB -0.225 29.238 29.460 0.005 0.000 1.484 434 W HN 0.397 nan 8.180 nan 0.000 0.586 435 P HA -0.046 nan 4.420 nan 0.000 0.261 435 P C 0.468 177.855 177.300 0.145 0.000 1.183 435 P CA 0.569 63.772 63.100 0.171 0.000 0.761 435 P CB 0.684 32.482 31.700 0.163 0.000 0.785 436 E N 2.363 122.623 120.200 0.101 0.000 2.409 436 E HA -0.137 4.226 4.350 0.021 0.000 0.198 436 E C 0.704 177.340 176.600 0.061 0.000 1.024 436 E CA 1.099 57.546 56.400 0.078 0.000 0.861 436 E CB -0.088 29.647 29.700 0.058 0.000 0.788 436 E HN 0.355 nan 8.360 nan 0.000 0.521 437 K N -0.398 120.041 120.400 0.064 0.000 2.399 437 K HA 0.182 4.515 4.320 0.021 0.000 0.204 437 K C 0.124 176.756 176.600 0.053 0.000 1.023 437 K CA -0.245 56.072 56.287 0.050 0.000 1.127 437 K CB 0.328 32.855 32.500 0.046 0.000 0.856 437 K HN 0.167 nan 8.250 nan 0.000 0.514 438 M N 2.089 121.727 119.600 0.063 0.000 2.429 438 M HA 0.035 4.528 4.480 0.021 0.000 0.334 438 M C 0.328 176.644 176.300 0.026 0.000 1.560 438 M CA 0.445 55.779 55.300 0.056 0.000 1.291 438 M CB 0.108 32.744 32.600 0.061 0.000 1.754 438 M HN 0.047 nan 8.290 nan 0.000 0.456 439 R N 3.660 124.193 120.500 0.055 0.000 2.265 439 R HA 0.169 4.521 4.340 0.021 0.000 0.194 439 R C -0.191 176.155 176.300 0.078 0.000 0.931 439 R CA 0.380 56.509 56.100 0.049 0.000 1.032 439 R CB 0.585 30.923 30.300 0.063 0.000 0.980 439 R HN 0.591 nan 8.270 nan 0.000 0.497 440 F N 1.391 121.306 119.950 -0.058 0.000 2.507 440 F HA 0.440 4.980 4.527 0.021 0.000 0.328 440 F C -1.481 174.260 175.800 -0.098 0.000 1.136 440 F CA -1.513 56.447 58.000 -0.068 0.000 0.930 440 F CB 1.434 40.405 39.000 -0.048 0.000 1.166 440 F HN -0.244 nan 8.300 nan 0.000 0.436 441 L N 7.022 128.063 121.223 -0.303 0.000 2.376 441 L HA 0.503 4.856 4.340 0.021 0.000 0.275 441 L C -1.569 175.091 176.870 -0.350 0.000 0.987 441 L CA -0.386 54.326 54.840 -0.214 0.000 0.828 441 L CB 1.463 43.326 42.059 -0.326 0.000 1.249 441 L HN 0.653 nan 8.230 nan 0.000 0.409 442 N N 5.474 124.135 118.700 -0.065 0.000 2.469 442 N HA 0.366 5.118 4.740 0.021 0.000 0.253 442 N C -0.600 174.908 175.510 -0.003 0.000 0.970 442 N CA -0.251 52.770 53.050 -0.049 0.000 0.940 442 N CB 1.005 39.612 38.487 0.200 0.000 1.128 442 N HN 0.778 nan 8.380 nan 0.000 0.503 443 L N 1.418 122.618 121.223 -0.038 0.000 3.066 443 L HA 0.228 4.581 4.340 0.021 0.000 0.265 443 L C 0.930 177.826 176.870 0.043 0.000 1.232 443 L CA -0.244 54.611 54.840 0.024 0.000 1.031 443 L CB 0.103 42.149 42.059 -0.021 0.000 1.379 443 L HN 0.391 nan 8.230 nan 0.000 0.563 444 S N -0.329 115.381 115.700 0.016 0.000 2.576 444 S HA 0.046 4.529 4.470 0.021 0.000 0.272 444 S C 1.213 175.831 174.600 0.030 0.000 1.352 444 S CA 0.355 58.560 58.200 0.009 0.000 1.021 444 S CB 0.537 63.725 63.200 -0.020 0.000 0.887 444 S HN 0.462 nan 8.310 nan 0.000 0.542 445 S N 1.687 117.400 115.700 0.022 0.000 3.533 445 S HA -0.151 4.332 4.470 0.021 0.000 0.347 445 S C 0.725 175.347 174.600 0.038 0.000 1.101 445 S CA 1.134 59.347 58.200 0.021 0.000 1.009 445 S CB -2.212 60.991 63.200 0.005 0.000 0.916 445 S HN 0.842 nan 8.310 nan 0.000 0.496 446 T N -0.273 114.325 114.554 0.073 0.000 3.105 446 T HA 0.434 4.797 4.350 0.021 0.000 0.253 446 T C 1.560 176.335 174.700 0.125 0.000 1.047 446 T CA 1.159 63.336 62.100 0.128 0.000 0.944 446 T CB -0.429 68.581 68.868 0.237 0.000 1.016 446 T HN 1.420 nan 8.240 nan 0.000 0.544 447 G N 1.990 110.838 108.800 0.080 0.000 2.184 447 G HA2 -0.269 3.704 3.960 0.021 0.000 0.264 447 G HA3 -0.269 3.704 3.960 0.021 0.000 0.264 447 G C 0.349 175.302 174.900 0.088 0.000 0.975 447 G CA 0.517 45.661 45.100 0.074 0.000 0.642 447 G HN 0.789 nan 8.290 nan 0.000 0.536 448 I N -1.973 118.659 120.570 0.104 0.000 3.004 448 I HA 0.631 4.814 4.170 0.021 0.000 0.287 448 I C 1.126 177.286 176.117 0.072 0.000 1.144 448 I CA -0.162 61.197 61.300 0.098 0.000 1.353 448 I CB 0.618 38.677 38.000 0.099 0.000 1.417 448 I HN 0.170 nan 8.210 nan 0.000 0.602 449 R N 2.715 123.253 120.500 0.065 0.000 2.592 449 R HA 0.614 4.967 4.340 0.021 0.000 0.439 449 R C -1.136 175.190 176.300 0.043 0.000 0.995 449 R CA -0.344 55.787 56.100 0.051 0.000 1.141 449 R CB 0.411 30.738 30.300 0.045 0.000 1.495 449 R HN 0.514 nan 8.270 nan 0.000 0.579 450 V N 0.553 120.493 119.914 0.043 0.000 3.098 450 V HA 0.282 4.415 4.120 0.021 0.000 0.294 450 V C -1.293 174.810 176.094 0.014 0.000 1.351 450 V CA -0.875 61.439 62.300 0.024 0.000 0.999 450 V CB 3.136 34.969 31.823 0.017 0.000 1.104 450 V HN -0.027 nan 8.190 nan 0.000 0.438 451 V N 4.253 124.150 119.914 -0.029 0.000 2.443 451 V HA 0.546 4.679 4.120 0.021 0.000 0.293 451 V C -0.020 176.006 176.094 -0.114 0.000 1.021 451 V CA -0.823 61.435 62.300 -0.070 0.000 0.848 451 V CB 1.627 33.384 31.823 -0.111 0.000 0.998 451 V HN 0.778 nan 8.190 nan 0.000 0.424 452 K N 1.787 122.149 120.400 -0.063 0.000 2.419 452 K HA 0.454 4.787 4.320 0.021 0.000 0.246 452 K C 1.109 177.681 176.600 -0.046 0.000 1.037 452 K CA -0.355 55.902 56.287 -0.050 0.000 0.982 452 K CB 1.044 33.538 32.500 -0.011 0.000 1.283 452 K HN 0.682 nan 8.250 nan 0.000 0.500 453 T N -2.253 112.290 114.554 -0.018 0.000 3.361 453 T HA -0.054 4.309 4.350 0.021 0.000 0.251 453 T C 1.748 176.476 174.700 0.046 0.000 1.131 453 T CA -0.026 62.075 62.100 0.003 0.000 1.001 453 T CB -0.934 67.942 68.868 0.014 0.000 1.003 453 T HN 0.522 nan 8.240 nan 0.000 0.558 454 c N 1.222 119.862 118.600 0.066 0.000 2.442 454 c HA 0.076 4.658 4.570 0.021 0.000 0.279 454 c C 1.184 175.394 174.090 0.200 0.000 1.237 454 c CA -0.263 56.167 56.329 0.168 0.000 1.722 454 c CB -1.172 41.439 42.510 0.169 0.000 2.056 454 c HN 0.575 nan 8.230 nan 0.000 0.469 455 I N 3.256 123.840 120.570 0.024 0.000 2.919 455 I HA 0.066 4.249 4.170 0.021 0.000 0.299 455 I C -1.995 174.062 176.117 -0.100 0.000 1.221 455 I CA -0.797 60.414 61.300 -0.148 0.000 1.424 455 I CB -0.335 37.590 38.000 -0.124 0.000 1.358 455 I HN 0.301 nan 8.210 nan 0.000 0.551 456 P HA 0.119 nan 4.420 nan 0.000 0.275 456 P C 0.239 177.495 177.300 -0.073 0.000 1.227 456 P CA -0.434 62.629 63.100 -0.061 0.000 0.781 456 P CB 0.559 32.220 31.700 -0.065 0.000 0.906 457 Q N 0.901 120.669 119.800 -0.053 0.000 2.234 457 Q HA -0.144 4.209 4.340 0.021 0.000 0.206 457 Q C 1.437 177.383 176.000 -0.090 0.000 0.980 457 Q CA 2.003 57.748 55.803 -0.098 0.000 0.869 457 Q CB -0.583 28.083 28.738 -0.120 0.000 0.912 457 Q HN 0.638 nan 8.270 nan 0.000 0.436 458 T N -1.455 113.065 114.554 -0.058 0.000 3.155 458 T HA -0.047 4.316 4.350 0.021 0.000 0.264 458 T C 0.620 175.292 174.700 -0.047 0.000 1.160 458 T CA 0.028 62.104 62.100 -0.041 0.000 1.075 458 T CB -0.046 68.815 68.868 -0.012 0.000 0.921 458 T HN -0.052 nan 8.240 nan 0.000 0.533 459 L N 2.448 123.628 121.223 -0.071 0.000 2.433 459 L HA 0.279 4.632 4.340 0.021 0.000 0.284 459 L C 1.180 178.013 176.870 -0.063 0.000 1.120 459 L CA -0.009 54.782 54.840 -0.083 0.000 0.879 459 L CB 0.139 42.124 42.059 -0.123 0.000 1.232 459 L HN 0.221 nan 8.230 nan 0.000 0.454 460 E N 2.251 122.425 120.200 -0.042 0.000 2.216 460 E HA 0.010 4.372 4.350 0.021 0.000 0.192 460 E C -0.269 176.295 176.600 -0.059 0.000 0.988 460 E CA 0.562 56.946 56.400 -0.028 0.000 0.834 460 E CB 0.359 30.064 29.700 0.007 0.000 0.772 460 E HN 0.365 nan 8.360 nan 0.000 0.479 461 V N 1.739 121.583 119.914 -0.118 0.000 2.577 461 V HA 0.321 4.453 4.120 0.021 0.000 0.303 461 V C -1.080 174.788 176.094 -0.377 0.000 1.042 461 V CA -0.887 61.277 62.300 -0.228 0.000 0.872 461 V CB 2.077 33.744 31.823 -0.260 0.000 0.998 461 V HN 0.009 nan 8.190 nan 0.000 0.423 462 L N 3.754 124.788 121.223 -0.316 0.000 2.410 462 L HA 0.780 5.133 4.340 0.021 0.000 0.270 462 L C -1.202 175.505 176.870 -0.272 0.000 0.983 462 L CA 0.021 54.678 54.840 -0.305 0.000 0.822 462 L CB 2.011 43.964 42.059 -0.177 0.000 1.285 462 L HN 0.715 nan 8.230 nan 0.000 0.409 463 D N 3.648 123.882 120.400 -0.276 0.000 2.471 463 D HA 0.437 5.089 4.640 0.021 0.000 0.245 463 D C -0.758 175.474 176.300 -0.112 0.000 1.116 463 D CA -0.134 53.764 54.000 -0.171 0.000 0.853 463 D CB 1.602 42.276 40.800 -0.210 0.000 1.123 463 D HN 0.303 nan 8.370 nan 0.000 0.540 464 V N 2.570 122.438 119.914 -0.077 0.000 2.838 464 V HA 0.178 4.311 4.120 0.021 0.000 0.363 464 V C 0.967 177.051 176.094 -0.015 0.000 1.324 464 V CA -0.563 61.723 62.300 -0.024 0.000 1.220 464 V CB -0.405 31.438 31.823 0.032 0.000 1.328 464 V HN 0.524 nan 8.190 nan 0.000 0.595 465 S N -0.225 115.458 115.700 -0.028 0.000 2.634 465 S HA 0.375 4.858 4.470 0.021 0.000 0.261 465 S C 0.737 175.332 174.600 -0.008 0.000 1.271 465 S CA 0.182 58.368 58.200 -0.024 0.000 0.985 465 S CB 0.494 63.677 63.200 -0.028 0.000 0.968 465 S HN 0.635 nan 8.310 nan 0.000 0.568 466 N N 0.679 119.374 118.700 -0.008 0.000 2.705 466 N HA -0.200 4.553 4.740 0.021 0.000 0.255 466 N C -0.621 174.897 175.510 0.013 0.000 1.008 466 N CA 1.136 54.187 53.050 0.001 0.000 0.742 466 N CB -2.007 36.480 38.487 -0.001 0.000 0.906 466 N HN 0.807 nan 8.380 nan 0.000 0.541 467 N N -0.703 118.008 118.700 0.018 0.000 3.470 467 N HA 0.416 5.169 4.740 0.021 0.000 0.361 467 N C -0.481 175.047 175.510 0.029 0.000 1.536 467 N CA -0.742 52.327 53.050 0.032 0.000 0.642 467 N CB 0.280 38.794 38.487 0.045 0.000 2.002 467 N HN 0.099 nan 8.380 nan 0.000 0.620 468 N N -0.042 118.680 118.700 0.038 0.000 2.365 468 N HA 0.292 5.044 4.740 0.021 0.000 0.257 468 N C -1.467 174.066 175.510 0.038 0.000 1.287 468 N CA -0.162 52.908 53.050 0.033 0.000 0.882 468 N CB 0.379 38.886 38.487 0.034 0.000 1.250 468 N HN 0.235 nan 8.380 nan 0.000 0.507 469 L N 0.804 122.054 121.223 0.046 0.000 2.513 469 L HA 0.035 4.388 4.340 0.021 0.000 0.272 469 L C 1.119 178.018 176.870 0.048 0.000 1.187 469 L CA 0.888 55.764 54.840 0.060 0.000 0.895 469 L CB 0.439 42.553 42.059 0.092 0.000 1.147 469 L HN 0.190 nan 8.230 nan 0.000 0.483 470 D N -0.205 120.221 120.400 0.044 0.000 2.338 470 D HA 0.085 4.737 4.640 0.021 0.000 0.208 470 D C -0.251 176.077 176.300 0.047 0.000 0.997 470 D CA 0.610 54.630 54.000 0.033 0.000 0.880 470 D CB 0.495 41.309 40.800 0.023 0.000 0.980 470 D HN 0.573 nan 8.370 nan 0.000 0.509 471 S N -0.574 115.166 115.700 0.066 0.000 2.603 471 S HA 0.352 4.834 4.470 0.021 0.000 0.274 471 S C -1.197 173.479 174.600 0.128 0.000 1.168 471 S CA -0.915 57.336 58.200 0.085 0.000 0.963 471 S CB 0.586 63.812 63.200 0.043 0.000 1.078 471 S HN 0.069 nan 8.310 nan 0.000 0.477 472 F N 3.770 123.744 119.950 0.040 0.000 2.334 472 F HA 0.565 5.105 4.527 0.021 0.000 0.367 472 F C 0.307 176.153 175.800 0.076 0.000 1.115 472 F CA -0.224 57.811 58.000 0.059 0.000 1.116 472 F CB 1.076 40.120 39.000 0.073 0.000 1.230 472 F HN 0.738 nan 8.300 nan 0.000 0.484 473 S N 6.591 122.141 115.700 -0.251 0.000 2.128 473 S HA 0.546 5.029 4.470 0.021 0.000 0.157 473 S C -1.220 173.246 174.600 -0.223 0.000 1.650 473 S CA -0.612 57.513 58.200 -0.125 0.000 1.269 473 S CB 0.518 63.676 63.200 -0.071 0.000 1.227 473 S HN 0.490 nan 8.310 nan 0.000 0.405 474 L N 2.057 123.131 121.223 -0.249 0.000 2.441 474 L HA 0.542 4.895 4.340 0.021 0.000 0.270 474 L C -0.978 175.974 176.870 0.136 0.000 0.973 474 L CA -0.831 53.890 54.840 -0.199 0.000 0.842 474 L CB 1.535 43.214 42.059 -0.634 0.000 1.239 474 L HN 0.683 nan 8.230 nan 0.000 0.406 475 F N 6.187 126.113 119.950 -0.041 0.000 2.533 475 F HA 0.371 4.911 4.527 0.021 0.000 0.378 475 F C -0.414 175.419 175.800 0.054 0.000 1.070 475 F CA -0.188 57.810 58.000 -0.003 0.000 1.172 475 F CB 0.293 39.278 39.000 -0.025 0.000 1.085 475 F HN 0.361 nan 8.300 nan 0.000 0.552 476 L N 9.154 130.370 121.223 -0.011 0.000 2.489 476 L HA 0.226 4.578 4.340 0.021 0.000 0.257 476 L C -2.008 174.770 176.870 -0.152 0.000 1.215 476 L CA -1.596 53.173 54.840 -0.118 0.000 0.915 476 L CB 1.068 43.196 42.059 0.115 0.000 1.146 476 L HN 0.437 nan 8.230 nan 0.000 0.494 477 P HA -0.220 nan 4.420 nan 0.000 0.212 477 P C 1.265 178.540 177.300 -0.041 0.000 1.174 477 P CA 1.749 64.706 63.100 -0.240 0.000 0.934 477 P CB 0.113 31.613 31.700 -0.333 0.000 0.791 478 R N -1.106 119.357 120.500 -0.062 0.000 2.249 478 R HA -0.080 4.272 4.340 0.021 0.000 0.230 478 R C 0.732 177.039 176.300 0.012 0.000 1.121 478 R CA 0.108 56.199 56.100 -0.014 0.000 0.997 478 R CB -1.383 28.901 30.300 -0.026 0.000 0.867 478 R HN 0.173 nan 8.270 nan 0.000 0.465 479 L N 2.736 123.974 121.223 0.025 0.000 2.780 479 L HA -0.131 4.221 4.340 0.021 0.000 0.275 479 L C 1.048 177.921 176.870 0.004 0.000 1.153 479 L CA 0.825 55.676 54.840 0.019 0.000 0.993 479 L CB 0.332 42.431 42.059 0.067 0.000 1.319 479 L HN 0.125 nan 8.230 nan 0.000 0.479 480 Q N 2.839 122.625 119.800 -0.024 0.000 1.990 480 Q HA 0.092 4.445 4.340 0.021 0.000 0.195 480 Q C -0.129 175.818 176.000 -0.088 0.000 0.977 480 Q CA 0.939 56.725 55.803 -0.028 0.000 0.828 480 Q CB 0.108 28.847 28.738 0.001 0.000 0.896 480 Q HN 0.695 nan 8.270 nan 0.000 0.447 481 E N 0.666 120.815 120.200 -0.085 0.000 2.277 481 E HA 0.401 4.764 4.350 0.021 0.000 0.274 481 E C -1.136 175.334 176.600 -0.216 0.000 1.022 481 E CA -0.361 55.968 56.400 -0.119 0.000 0.853 481 E CB 1.647 31.364 29.700 0.029 0.000 1.086 481 E HN -0.006 nan 8.360 nan 0.000 0.397 482 L N 3.078 124.103 121.223 -0.330 0.000 2.457 482 L HA 0.233 4.585 4.340 0.021 0.000 0.259 482 L C -1.720 174.912 176.870 -0.397 0.000 1.377 482 L CA -0.346 54.254 54.840 -0.400 0.000 0.887 482 L CB 0.242 41.925 42.059 -0.628 0.000 1.085 482 L HN 0.424 nan 8.230 nan 0.000 0.509 483 Y N 4.490 124.594 120.300 -0.326 0.000 2.650 483 Y HA 0.242 4.805 4.550 0.021 0.000 0.342 483 Y C 1.053 176.787 175.900 -0.278 0.000 1.110 483 Y CA 0.575 58.492 58.100 -0.305 0.000 1.438 483 Y CB 0.629 38.917 38.460 -0.287 0.000 1.181 483 Y HN 0.468 nan 8.280 nan 0.000 0.526 484 I N 2.161 122.623 120.570 -0.180 0.000 3.064 484 I HA 0.160 4.343 4.170 0.021 0.000 0.323 484 I C -0.151 175.897 176.117 -0.115 0.000 1.501 484 I CA 0.250 61.457 61.300 -0.155 0.000 0.890 484 I CB -0.219 37.636 38.000 -0.243 0.000 1.602 484 I HN 0.503 nan 8.210 nan 0.000 0.586 485 S N 0.748 116.386 115.700 -0.102 0.000 2.618 485 S HA 0.266 4.748 4.470 0.021 0.000 0.254 485 S C 0.483 175.053 174.600 -0.050 0.000 1.284 485 S CA -0.283 57.865 58.200 -0.086 0.000 0.975 485 S CB 0.255 63.401 63.200 -0.091 0.000 1.022 485 S HN 0.526 nan 8.310 nan 0.000 0.571 486 R N 0.876 121.355 120.500 -0.035 0.000 2.828 486 R HA -0.223 4.130 4.340 0.021 0.000 0.233 486 R C -0.691 175.599 176.300 -0.016 0.000 0.821 486 R CA 0.382 56.472 56.100 -0.018 0.000 0.563 486 R CB -1.968 28.329 30.300 -0.005 0.000 1.117 486 R HN 0.430 nan 8.270 nan 0.000 0.508 487 N N -0.378 118.307 118.700 -0.024 0.000 2.966 487 N HA 0.291 5.044 4.740 0.021 0.000 0.314 487 N C -0.209 175.290 175.510 -0.019 0.000 1.397 487 N CA -1.001 52.041 53.050 -0.013 0.000 0.776 487 N CB 1.081 39.563 38.487 -0.007 0.000 1.576 487 N HN 0.022 nan 8.380 nan 0.000 0.592 488 K N 0.683 121.078 120.400 -0.009 0.000 2.681 488 K HA 0.281 4.614 4.320 0.021 0.000 0.211 488 K C -0.830 175.760 176.600 -0.018 0.000 1.075 488 K CA -0.254 56.024 56.287 -0.015 0.000 1.141 488 K CB 0.009 32.507 32.500 -0.003 0.000 0.896 488 K HN 0.236 nan 8.250 nan 0.000 0.470 489 L N 1.807 123.015 121.223 -0.024 0.000 2.433 489 L HA 0.035 4.387 4.340 0.021 0.000 0.284 489 L C 1.062 177.904 176.870 -0.046 0.000 1.120 489 L CA 0.529 55.359 54.840 -0.017 0.000 0.879 489 L CB 0.282 42.337 42.059 -0.007 0.000 1.232 489 L HN 0.049 nan 8.230 nan 0.000 0.454 490 K N 1.033 121.413 120.400 -0.033 0.000 2.002 490 K HA -0.074 4.258 4.320 0.021 0.000 0.209 490 K C 0.831 177.405 176.600 -0.042 0.000 1.048 490 K CA 1.347 57.606 56.287 -0.046 0.000 0.930 490 K CB 0.001 32.487 32.500 -0.024 0.000 0.714 490 K HN 0.631 nan 8.250 nan 0.000 0.438 491 T N -0.065 114.485 114.554 -0.006 0.000 2.902 491 T HA 0.376 4.738 4.350 0.021 0.000 0.283 491 T C -0.650 174.074 174.700 0.041 0.000 1.009 491 T CA -0.833 61.278 62.100 0.018 0.000 1.051 491 T CB 0.937 69.824 68.868 0.031 0.000 0.999 491 T HN 0.085 nan 8.240 nan 0.000 0.474 492 L N 5.952 127.214 121.223 0.066 0.000 2.375 492 L HA 0.574 4.927 4.340 0.021 0.000 0.271 492 L C -1.796 175.157 176.870 0.137 0.000 1.107 492 L CA -1.850 53.053 54.840 0.104 0.000 0.806 492 L CB 1.023 43.167 42.059 0.143 0.000 1.146 492 L HN 0.561 nan 8.230 nan 0.000 0.447 493 P HA 0.037 nan 4.420 nan 0.000 0.271 493 P C -1.307 176.122 177.300 0.216 0.000 1.216 493 P CA -0.246 63.015 63.100 0.268 0.000 0.776 493 P CB 0.532 32.506 31.700 0.457 0.000 0.881 494 D N 1.701 122.157 120.400 0.093 0.000 2.458 494 D HA 0.096 4.748 4.640 0.021 0.000 0.243 494 D C 1.018 177.226 176.300 -0.152 0.000 1.146 494 D CA -0.063 53.925 54.000 -0.020 0.000 0.877 494 D CB 0.540 41.296 40.800 -0.075 0.000 1.176 494 D HN 0.327 nan 8.370 nan 0.000 0.461 495 A N 2.938 125.730 122.820 -0.046 0.000 2.252 495 A HA 0.004 4.337 4.320 0.021 0.000 0.207 495 A C 1.892 179.381 177.584 -0.158 0.000 1.194 495 A CA 0.960 52.988 52.037 -0.014 0.000 0.809 495 A CB -0.544 18.537 19.000 0.134 0.000 0.814 495 A HN 0.539 nan 8.150 nan 0.000 0.482 496 S N -0.564 114.989 115.700 -0.245 0.000 2.486 496 S HA 0.060 4.543 4.470 0.021 0.000 0.220 496 S C 1.627 176.071 174.600 -0.260 0.000 1.011 496 S CA 0.435 58.520 58.200 -0.192 0.000 0.921 496 S CB -0.560 62.540 63.200 -0.168 0.000 0.785 496 S HN 0.448 nan 8.310 nan 0.000 0.517 497 L N 0.565 121.440 121.223 -0.580 0.000 2.447 497 L HA 0.077 4.430 4.340 0.021 0.000 0.225 497 L C -0.212 176.482 176.870 -0.293 0.000 1.148 497 L CA 0.736 55.291 54.840 -0.476 0.000 0.808 497 L CB -0.553 41.108 42.059 -0.662 0.000 0.928 497 L HN 0.536 nan 8.230 nan 0.000 0.448 498 F N -4.817 115.255 119.950 0.203 0.000 3.159 498 F HA 0.364 4.904 4.527 0.021 0.000 0.394 498 F C -2.434 173.426 175.800 0.100 0.000 1.214 498 F CA -2.045 56.033 58.000 0.130 0.000 1.241 498 F CB -0.453 38.590 39.000 0.072 0.000 2.238 498 F HN -0.254 nan 8.300 nan 0.000 0.658 499 P HA -0.125 nan 4.420 nan 0.000 0.222 499 P C 1.281 178.668 177.300 0.145 0.000 1.147 499 P CA 1.232 64.427 63.100 0.160 0.000 0.790 499 P CB 0.231 32.015 31.700 0.140 0.000 0.780 500 V N -4.532 115.468 119.914 0.143 0.000 3.376 500 V HA 0.160 4.292 4.120 0.021 0.000 0.313 500 V C 0.869 177.016 176.094 0.090 0.000 1.393 500 V CA -0.689 61.671 62.300 0.100 0.000 1.125 500 V CB -0.876 30.991 31.823 0.073 0.000 1.037 500 V HN -0.009 nan 8.190 nan 0.000 0.440 501 L N 1.419 122.716 121.223 0.123 0.000 2.685 501 L HA -0.066 4.286 4.340 0.021 0.000 0.305 501 L C 0.930 177.810 176.870 0.017 0.000 1.258 501 L CA 1.474 56.345 54.840 0.052 0.000 0.876 501 L CB 0.635 42.742 42.059 0.080 0.000 1.124 501 L HN 0.378 nan 8.230 nan 0.000 0.507 502 L N 4.248 125.458 121.223 -0.022 0.000 2.730 502 L HA 0.226 4.579 4.340 0.021 0.000 0.236 502 L C -0.151 176.705 176.870 -0.024 0.000 1.061 502 L CA 0.137 54.975 54.840 -0.004 0.000 0.898 502 L CB 0.750 42.818 42.059 0.014 0.000 1.270 502 L HN 0.403 nan 8.230 nan 0.000 0.500 503 V N 0.319 120.188 119.914 -0.075 0.000 3.049 503 V HA 0.427 4.560 4.120 0.021 0.000 0.309 503 V C -0.848 175.112 176.094 -0.225 0.000 1.148 503 V CA -0.413 61.833 62.300 -0.090 0.000 0.990 503 V CB 2.878 34.676 31.823 -0.040 0.000 1.039 503 V HN 0.153 nan 8.190 nan 0.000 0.430 504 M N 3.599 123.072 119.600 -0.211 0.000 2.167 504 M HA 0.410 4.903 4.480 0.021 0.000 0.218 504 M C -0.876 175.282 176.300 -0.236 0.000 0.968 504 M CA -0.551 54.561 55.300 -0.313 0.000 1.004 504 M CB 0.710 33.129 32.600 -0.303 0.000 2.485 504 M HN 0.688 nan 8.290 nan 0.000 0.404 505 K N 4.683 124.767 120.400 -0.527 0.000 2.167 505 K HA 0.235 4.568 4.320 0.021 0.000 0.275 505 K C -0.438 175.968 176.600 -0.324 0.000 1.103 505 K CA 0.087 56.059 56.287 -0.525 0.000 0.963 505 K CB 0.198 31.946 32.500 -1.254 0.000 1.243 505 K HN 0.840 nan 8.250 nan 0.000 0.407 506 I N 3.811 124.290 120.570 -0.151 0.000 3.176 506 I HA 0.264 4.447 4.170 0.021 0.000 0.339 506 I C -0.301 175.764 176.117 -0.086 0.000 1.505 506 I CA -0.340 60.882 61.300 -0.129 0.000 0.969 506 I CB 0.232 38.161 38.000 -0.117 0.000 1.636 506 I HN 0.683 nan 8.210 nan 0.000 0.523 507 A N 0.535 123.283 122.820 -0.120 0.000 2.529 507 A HA 0.358 4.691 4.320 0.021 0.000 0.269 507 A C 1.120 178.644 177.584 -0.100 0.000 1.509 507 A CA 0.244 52.193 52.037 -0.148 0.000 0.857 507 A CB 0.114 18.875 19.000 -0.398 0.000 1.531 507 A HN 0.479 nan 8.150 nan 0.000 0.541 508 S N 0.202 115.865 115.700 -0.061 0.000 3.311 508 S HA -0.150 4.332 4.470 0.021 0.000 0.373 508 S C 0.356 174.921 174.600 -0.058 0.000 0.945 508 S CA 0.783 58.969 58.200 -0.023 0.000 1.238 508 S CB -1.616 61.593 63.200 0.016 0.000 0.893 508 S HN 0.673 nan 8.310 nan 0.000 0.478 509 N N 0.189 118.828 118.700 -0.103 0.000 2.989 509 N HA 0.406 5.159 4.740 0.021 0.000 0.338 509 N C 0.265 175.680 175.510 -0.159 0.000 1.369 509 N CA -0.580 52.398 53.050 -0.120 0.000 0.794 509 N CB 0.422 38.830 38.487 -0.132 0.000 1.359 509 N HN 0.130 nan 8.380 nan 0.000 0.609 510 Q N 0.820 120.525 119.800 -0.158 0.000 2.186 510 Q HA 0.390 4.743 4.340 0.021 0.000 0.241 510 Q C -0.641 175.224 176.000 -0.226 0.000 0.849 510 Q CA -0.226 55.480 55.803 -0.162 0.000 1.053 510 Q CB -0.215 28.467 28.738 -0.093 0.000 1.146 510 Q HN 0.403 nan 8.270 nan 0.000 0.475 511 L N 0.895 121.894 121.223 -0.374 0.000 2.433 511 L HA 0.063 4.416 4.340 0.021 0.000 0.275 511 L C 1.518 178.064 176.870 -0.541 0.000 1.128 511 L CA 0.215 54.767 54.840 -0.480 0.000 0.875 511 L CB 0.570 42.189 42.059 -0.734 0.000 1.171 511 L HN 0.020 nan 8.230 nan 0.000 0.463 512 K N 1.887 122.156 120.400 -0.218 0.000 1.991 512 K HA 0.031 4.364 4.320 0.021 0.000 0.208 512 K C 0.467 177.173 176.600 0.175 0.000 1.038 512 K CA 1.044 57.300 56.287 -0.051 0.000 0.943 512 K CB 0.208 32.711 32.500 0.006 0.000 0.736 512 K HN 0.715 nan 8.250 nan 0.000 0.440 513 S N 0.090 115.910 115.700 0.200 0.000 2.566 513 S HA 0.306 4.788 4.470 0.021 0.000 0.273 513 S C -0.529 174.220 174.600 0.247 0.000 1.157 513 S CA -1.183 57.231 58.200 0.357 0.000 0.938 513 S CB 1.400 64.745 63.200 0.241 0.000 1.087 513 S HN 0.085 nan 8.310 nan 0.000 0.474 514 V N 0.293 120.394 119.914 0.311 0.000 2.649 514 V HA 0.692 4.825 4.120 0.021 0.000 0.292 514 V C -2.628 173.511 176.094 0.075 0.000 1.055 514 V CA -1.743 60.662 62.300 0.176 0.000 1.023 514 V CB -0.203 31.741 31.823 0.202 0.000 0.992 514 V HN 0.764 nan 8.190 nan 0.000 0.480 515 P HA 0.148 nan 4.420 nan 0.000 0.262 515 P C -0.720 176.581 177.300 0.002 0.000 1.182 515 P CA 0.246 63.355 63.100 0.016 0.000 0.761 515 P CB 0.104 31.806 31.700 0.004 0.000 0.795 516 D N 2.177 122.586 120.400 0.015 0.000 2.417 516 D HA 0.320 4.973 4.640 0.021 0.000 0.250 516 D C 1.294 177.504 176.300 -0.150 0.000 1.166 516 D CA 1.233 55.246 54.000 0.023 0.000 0.881 516 D CB 0.037 40.836 40.800 -0.002 0.000 1.164 516 D HN 0.631 nan 8.370 nan 0.000 0.467 517 G N 2.226 110.793 108.800 -0.387 0.000 2.414 517 G HA2 -0.243 3.730 3.960 0.021 0.000 0.256 517 G HA3 -0.243 3.730 3.960 0.021 0.000 0.256 517 G C 0.532 175.319 174.900 -0.189 0.000 1.128 517 G CA -0.020 44.818 45.100 -0.436 0.000 0.944 517 G HN 0.478 nan 8.290 nan 0.000 0.500 518 I N -1.128 119.358 120.570 -0.140 0.000 3.883 518 I HA 0.441 4.624 4.170 0.021 0.000 0.305 518 I C 1.477 177.635 176.117 0.070 0.000 1.247 518 I CA -0.322 60.924 61.300 -0.090 0.000 1.350 518 I CB 0.070 37.992 38.000 -0.130 0.000 1.194 518 I HN 0.235 nan 8.210 nan 0.000 0.441 519 F N 0.750 120.726 119.950 0.042 0.000 2.843 519 F HA 0.168 4.708 4.527 0.021 0.000 0.290 519 F C 1.279 177.099 175.800 0.034 0.000 1.221 519 F CA -0.585 57.358 58.000 -0.095 0.000 1.413 519 F CB -0.399 38.276 39.000 -0.542 0.000 1.019 519 F HN 0.053 nan 8.300 nan 0.000 0.512 520 D N 0.964 121.454 120.400 0.150 0.000 2.144 520 D HA -0.069 4.583 4.640 0.021 0.000 0.207 520 D C 2.360 178.725 176.300 0.108 0.000 0.970 520 D CA 0.933 54.993 54.000 0.099 0.000 0.853 520 D CB -0.050 40.756 40.800 0.009 0.000 1.007 520 D HN 0.234 nan 8.370 nan 0.000 0.469 521 R N 0.808 121.365 120.500 0.094 0.000 2.310 521 R HA 0.116 4.469 4.340 0.021 0.000 0.202 521 R C 0.830 177.200 176.300 0.117 0.000 0.933 521 R CA 0.025 56.176 56.100 0.086 0.000 1.054 521 R CB -0.764 29.568 30.300 0.053 0.000 0.985 521 R HN 0.210 nan 8.270 nan 0.000 0.489 522 L N 3.417 124.730 121.223 0.151 0.000 2.873 522 L HA 0.117 4.470 4.340 0.021 0.000 0.236 522 L C 0.700 177.657 176.870 0.145 0.000 1.375 522 L CA -0.014 54.915 54.840 0.148 0.000 1.239 522 L CB -0.009 42.128 42.059 0.131 0.000 1.603 522 L HN 0.143 nan 8.230 nan 0.000 0.430 523 T N -5.260 109.375 114.554 0.134 0.000 3.320 523 T HA -0.013 4.349 4.350 0.021 0.000 0.258 523 T C 1.257 176.024 174.700 0.112 0.000 1.176 523 T CA 0.714 62.892 62.100 0.130 0.000 1.037 523 T CB -0.021 68.909 68.868 0.103 0.000 0.958 523 T HN 0.431 nan 8.240 nan 0.000 0.545 524 S N -0.005 115.758 115.700 0.105 0.000 2.769 524 S HA 0.277 4.759 4.470 0.021 0.000 0.258 524 S C 0.308 174.950 174.600 0.070 0.000 1.080 524 S CA -0.645 57.604 58.200 0.082 0.000 0.943 524 S CB -0.200 63.047 63.200 0.078 0.000 0.893 524 S HN 0.488 nan 8.310 nan 0.000 0.490 525 L N 4.616 125.877 121.223 0.063 0.000 2.706 525 L HA 0.015 4.368 4.340 0.021 0.000 0.282 525 L C 0.796 177.701 176.870 0.059 0.000 1.219 525 L CA 0.903 55.757 54.840 0.023 0.000 0.935 525 L CB -0.113 41.913 42.059 -0.056 0.000 1.204 525 L HN 0.446 nan 8.230 nan 0.000 0.491 526 Q N 3.028 122.848 119.800 0.033 0.000 2.164 526 Q HA 0.327 4.680 4.340 0.021 0.000 0.226 526 Q C -0.128 175.877 176.000 0.008 0.000 0.813 526 Q CA -0.329 55.495 55.803 0.035 0.000 0.978 526 Q CB 0.629 29.384 28.738 0.029 0.000 1.149 526 Q HN 0.716 nan 8.270 nan 0.000 0.489 527 K N 0.528 120.923 120.400 -0.008 0.000 2.610 527 K HA 0.552 4.885 4.320 0.021 0.000 0.267 527 K C -2.346 174.209 176.600 -0.075 0.000 0.943 527 K CA -0.497 55.749 56.287 -0.067 0.000 0.862 527 K CB 2.279 34.754 32.500 -0.042 0.000 1.376 527 K HN 0.196 nan 8.250 nan 0.000 0.412 528 I N 1.892 122.343 120.570 -0.199 0.000 3.004 528 I HA 0.533 4.716 4.170 0.021 0.000 0.305 528 I C -1.589 174.406 176.117 -0.204 0.000 1.312 528 I CA -0.628 60.609 61.300 -0.104 0.000 0.992 528 I CB 1.565 39.462 38.000 -0.172 0.000 1.282 528 I HN 0.655 nan 8.210 nan 0.000 0.449 529 W N 6.920 128.134 121.300 -0.143 0.000 2.656 529 W HA 0.439 5.111 4.660 0.021 0.000 0.327 529 W C -0.756 175.679 176.519 -0.140 0.000 1.041 529 W CA -0.329 56.934 57.345 -0.137 0.000 1.229 529 W CB 2.026 31.361 29.460 -0.209 0.000 1.397 529 W HN 0.357 nan 8.180 nan 0.000 0.479 530 L N 1.561 122.826 121.223 0.070 0.000 3.467 530 L HA 0.011 4.363 4.340 0.021 0.000 0.315 530 L C 0.843 177.839 176.870 0.210 0.000 1.184 530 L CA -0.039 54.911 54.840 0.182 0.000 1.124 530 L CB -0.695 41.557 42.059 0.322 0.000 1.585 530 L HN 0.447 nan 8.230 nan 0.000 0.617 531 H N -1.524 117.700 119.070 0.256 0.000 2.598 531 H HA 0.054 4.623 4.556 0.022 0.000 0.396 531 H C 0.253 175.698 175.328 0.196 0.000 1.954 531 H CA 0.186 56.367 56.048 0.222 0.000 1.449 531 H CB -1.127 28.733 29.762 0.164 0.000 1.554 531 H HN 0.004 nan 8.280 nan 0.000 0.554 532 T N 1.321 116.102 114.554 0.378 0.000 2.473 532 T HA -0.229 4.133 4.350 0.021 0.000 0.503 532 T C -0.456 174.302 174.700 0.097 0.000 0.806 532 T CA 1.241 63.473 62.100 0.220 0.000 2.696 532 T CB -1.574 67.432 68.868 0.230 0.000 1.618 532 T HN 0.857 nan 8.240 nan 0.000 0.428 533 N N 2.473 121.213 118.700 0.067 0.000 2.554 533 N HA 0.306 5.058 4.740 0.021 0.000 0.271 533 N C -3.187 172.205 175.510 -0.197 0.000 1.081 533 N CA -1.751 51.194 53.050 -0.174 0.000 0.994 533 N CB 2.194 40.459 38.487 -0.371 0.000 1.641 533 N HN -0.044 nan 8.380 nan 0.000 0.511 534 P HA 0.219 nan 4.420 nan 0.000 0.268 534 P C -0.311 176.892 177.300 -0.162 0.000 1.485 534 P CA 0.084 63.117 63.100 -0.111 0.000 1.102 534 P CB -0.220 31.426 31.700 -0.090 0.000 1.501 535 W N 1.548 122.863 121.300 0.025 0.000 1.756 535 W HA 0.374 5.046 4.660 0.021 0.000 0.638 535 W C 0.318 176.849 176.519 0.020 0.000 1.472 535 W CA 0.473 57.832 57.345 0.023 0.000 1.437 535 W CB 0.369 29.844 29.460 0.025 0.000 3.368 535 W HN 0.118 nan 8.180 nan 0.000 0.771 536 D N -0.753 119.866 120.400 0.365 0.000 2.684 536 D HA 0.087 4.740 4.640 0.021 0.000 0.233 536 D C -1.566 174.814 176.300 0.134 0.000 1.374 536 D CA -0.471 53.643 54.000 0.191 0.000 0.906 536 D CB -0.393 40.501 40.800 0.157 0.000 1.526 536 D HN 0.231 nan 8.370 nan 0.000 0.518 537 c N 2.439 121.099 118.600 0.099 0.000 3.089 537 c HA 0.378 4.961 4.570 0.021 0.000 0.548 537 c C 0.552 174.664 174.090 0.036 0.000 1.205 537 c CA -0.418 55.938 56.329 0.046 0.000 1.398 537 c CB -2.075 40.451 42.510 0.027 0.000 1.764 537 c HN 0.388 nan 8.230 nan 0.000 0.638 538 S N -0.433 115.292 115.700 0.041 0.000 2.439 538 S HA 0.077 4.560 4.470 0.021 0.000 0.282 538 S C 1.172 175.787 174.600 0.024 0.000 1.170 538 S CA -0.470 57.749 58.200 0.032 0.000 1.054 538 S CB 0.870 64.092 63.200 0.036 0.000 0.956 538 S HN 0.759 nan 8.310 nan 0.000 0.490 539 c N 4.400 123.010 118.600 0.018 0.000 2.396 539 c HA -0.069 4.514 4.570 0.021 0.000 0.277 539 c C -0.423 173.676 174.090 0.015 0.000 1.231 539 c CA 0.939 57.276 56.329 0.013 0.000 1.775 539 c CB -1.455 41.061 42.510 0.011 0.000 2.036 539 c HN 0.741 nan 8.230 nan 0.000 0.484 540 P HA -0.055 nan 4.420 nan 0.000 0.230 540 P C 1.267 178.579 177.300 0.020 0.000 1.158 540 P CA 1.178 64.288 63.100 0.016 0.000 0.769 540 P CB -0.135 31.575 31.700 0.016 0.000 0.807 541 R N -1.142 119.372 120.500 0.025 0.000 2.350 541 R HA 0.253 4.606 4.340 0.021 0.000 0.199 541 R C 1.350 177.669 176.300 0.032 0.000 0.876 541 R CA 0.127 56.245 56.100 0.030 0.000 1.062 541 R CB -0.972 29.351 30.300 0.037 0.000 1.263 541 R HN 0.166 nan 8.270 nan 0.000 0.641 542 I N 3.609 124.195 120.570 0.026 0.000 3.425 542 I HA -0.032 4.150 4.170 0.021 0.000 0.298 542 I C 0.105 176.227 176.117 0.009 0.000 1.278 542 I CA 0.119 61.425 61.300 0.009 0.000 1.475 542 I CB -0.111 37.883 38.000 -0.010 0.000 1.283 542 I HN 0.082 nan 8.210 nan 0.000 0.540 543 D N 1.427 121.848 120.400 0.035 0.000 2.087 543 D HA -0.253 4.400 4.640 0.021 0.000 0.203 543 D C 1.458 177.823 176.300 0.107 0.000 0.976 543 D CA 1.408 55.443 54.000 0.058 0.000 0.865 543 D CB -0.338 40.497 40.800 0.058 0.000 1.005 543 D HN 0.400 nan 8.370 nan 0.000 0.449 544 Y N 1.875 122.153 120.300 -0.037 0.000 2.006 544 Y HA -0.254 4.309 4.550 0.021 0.000 0.266 544 Y C 2.453 178.349 175.900 -0.008 0.000 1.133 544 Y CA 1.082 59.159 58.100 -0.037 0.000 1.098 544 Y CB -1.143 37.248 38.460 -0.115 0.000 0.969 544 Y HN -0.045 nan 8.280 nan 0.000 0.482 545 L N 0.231 121.293 121.223 -0.267 0.000 2.082 545 L HA -0.359 3.994 4.340 0.021 0.000 0.223 545 L C 2.438 179.220 176.870 -0.148 0.000 1.086 545 L CA 2.700 57.344 54.840 -0.326 0.000 0.793 545 L CB -1.363 40.512 42.059 -0.306 0.000 0.896 545 L HN 0.334 nan 8.230 nan 0.000 0.441 546 S N -0.709 114.938 115.700 -0.088 0.000 2.383 546 S HA -0.179 4.304 4.470 0.021 0.000 0.229 546 S C 1.827 176.423 174.600 -0.007 0.000 1.030 546 S CA 1.733 59.902 58.200 -0.052 0.000 1.002 546 S CB -0.320 62.862 63.200 -0.030 0.000 0.829 546 S HN 0.560 nan 8.310 nan 0.000 0.467 547 R N -1.397 119.130 120.500 0.046 0.000 2.189 547 R HA 0.089 4.442 4.340 0.021 0.000 0.203 547 R C 1.941 178.293 176.300 0.086 0.000 1.012 547 R CA 0.427 56.567 56.100 0.066 0.000 1.015 547 R CB -0.243 30.118 30.300 0.102 0.000 0.938 547 R HN 0.458 nan 8.270 nan 0.000 0.472 548 W N 1.885 123.143 121.300 -0.070 0.000 2.418 548 W HA 0.021 4.693 4.660 0.021 0.000 0.292 548 W C 1.485 177.973 176.519 -0.053 0.000 1.213 548 W CA 0.888 58.202 57.345 -0.051 0.000 1.283 548 W CB 0.009 29.332 29.460 -0.228 0.000 1.119 548 W HN -0.100 nan 8.180 nan 0.000 0.542 549 L N 1.240 122.604 121.223 0.235 0.000 2.353 549 L HA -0.237 4.116 4.340 0.021 0.000 0.220 549 L C 1.538 178.351 176.870 -0.096 0.000 1.133 549 L CA 0.951 55.855 54.840 0.107 0.000 0.798 549 L CB -0.692 41.399 42.059 0.052 0.000 0.922 549 L HN 0.102 nan 8.230 nan 0.000 0.445 550 N N -0.251 118.377 118.700 -0.122 0.000 2.333 550 N HA -0.052 4.700 4.740 0.021 0.000 0.183 550 N C 1.602 176.989 175.510 -0.204 0.000 1.030 550 N CA 0.641 53.610 53.050 -0.134 0.000 0.867 550 N CB -0.135 38.303 38.487 -0.082 0.000 1.027 550 N HN 0.128 nan 8.380 nan 0.000 0.435 551 K N 0.810 121.054 120.400 -0.260 0.000 2.059 551 K HA -0.043 4.289 4.320 0.021 0.000 0.212 551 K C -0.022 176.363 176.600 -0.358 0.000 1.050 551 K CA 1.125 57.237 56.287 -0.292 0.000 0.927 551 K CB -0.125 32.170 32.500 -0.341 0.000 0.714 551 K HN 0.250 nan 8.250 nan 0.000 0.447 552 N N 0.458 118.823 118.700 -0.557 0.000 2.610 552 N HA 0.021 4.774 4.740 0.021 0.000 0.309 552 N C 0.270 175.556 175.510 -0.374 0.000 1.536 552 N CA 0.027 52.765 53.050 -0.521 0.000 0.954 552 N CB 1.341 39.328 38.487 -0.832 0.000 1.310 552 N HN 0.012 nan 8.380 nan 0.000 0.502 553 S N 1.309 116.857 115.700 -0.253 0.000 2.440 553 S HA -0.243 4.240 4.470 0.021 0.000 0.240 553 S C 1.895 176.404 174.600 -0.153 0.000 1.014 553 S CA 1.616 59.713 58.200 -0.172 0.000 0.980 553 S CB 0.182 63.305 63.200 -0.129 0.000 0.775 553 S HN 0.560 nan 8.310 nan 0.000 0.499 554 Q N 0.847 120.553 119.800 -0.157 0.000 2.030 554 Q HA -0.074 4.279 4.340 0.021 0.000 0.204 554 Q C 0.666 176.590 176.000 -0.127 0.000 0.986 554 Q CA 1.170 56.897 55.803 -0.126 0.000 0.843 554 Q CB -0.592 28.078 28.738 -0.113 0.000 0.904 554 Q HN 0.362 nan 8.270 nan 0.000 0.420 555 K N 1.853 122.174 120.400 -0.133 0.000 2.243 555 K HA 0.131 4.463 4.320 0.021 0.000 0.232 555 K C -0.705 175.843 176.600 -0.087 0.000 1.237 555 K CA 0.145 56.383 56.287 -0.081 0.000 1.161 555 K CB 0.019 32.520 32.500 0.001 0.000 1.505 555 K HN 0.191 nan 8.250 nan 0.000 0.271 556 E N 1.741 121.832 120.200 -0.183 0.000 3.786 556 E HA 0.003 4.366 4.350 0.021 0.000 0.367 556 E C -1.710 174.687 176.600 -0.338 0.000 1.072 556 E CA -0.300 55.950 56.400 -0.251 0.000 0.852 556 E CB 1.031 30.658 29.700 -0.121 0.000 1.231 556 E HN 0.245 nan 8.360 nan 0.000 0.510 557 Q N 0.599 120.043 119.800 -0.594 0.000 2.365 557 Q HA 0.711 5.064 4.340 0.021 0.000 0.269 557 Q C -0.156 175.610 176.000 -0.390 0.000 1.061 557 Q CA 0.154 55.664 55.803 -0.488 0.000 0.816 557 Q CB 2.068 30.522 28.738 -0.474 0.000 1.325 557 Q HN 0.820 nan 8.270 nan 0.000 0.446 558 G N 1.354 110.095 108.800 -0.098 0.000 3.209 558 G HA2 -0.142 3.831 3.960 0.021 0.000 0.686 558 G HA3 -0.142 3.831 3.960 0.021 0.000 0.686 558 G C -0.644 174.319 174.900 0.104 0.000 1.065 558 G CA -0.347 44.835 45.100 0.137 0.000 0.812 558 G HN 0.611 nan 8.290 nan 0.000 0.573 559 S N 1.316 117.066 115.700 0.083 0.000 2.422 559 S HA 0.788 5.270 4.470 0.021 0.000 0.298 559 S C 0.702 175.375 174.600 0.121 0.000 1.118 559 S CA 0.150 58.388 58.200 0.062 0.000 1.083 559 S CB 1.896 65.107 63.200 0.018 0.000 0.971 559 S HN 2.228 nan 8.310 nan 0.000 0.478 560 A N 3.382 126.256 122.820 0.089 0.000 2.548 560 A HA 0.232 4.565 4.320 0.021 0.000 0.247 560 A C 0.469 178.122 177.584 0.116 0.000 1.067 560 A CA -0.143 51.965 52.037 0.119 0.000 0.757 560 A CB -0.056 18.865 19.000 -0.130 0.000 0.996 560 A HN 0.846 nan 8.150 nan 0.000 0.504 561 K N 3.025 123.569 120.400 0.240 0.000 2.248 561 K HA 0.338 4.671 4.320 0.021 0.000 0.281 561 K C -0.779 175.965 176.600 0.239 0.000 1.054 561 K CA -0.569 55.832 56.287 0.191 0.000 0.903 561 K CB 0.398 33.002 32.500 0.174 0.000 1.077 561 K HN 0.771 nan 8.250 nan 0.000 0.474 562 c N 3.127 121.812 118.600 0.142 0.000 2.653 562 c HA 0.031 4.614 4.570 0.021 0.000 0.421 562 c C 0.780 174.957 174.090 0.145 0.000 1.334 562 c CA -0.577 55.838 56.329 0.144 0.000 1.885 562 c CB -0.330 42.224 42.510 0.073 0.000 2.645 562 c HN 0.855 nan 8.230 nan 0.000 0.601 563 S N 2.428 118.227 115.700 0.165 0.000 2.671 563 S HA 0.411 4.894 4.470 0.021 0.000 0.331 563 S C 1.105 175.752 174.600 0.078 0.000 1.182 563 S CA 0.137 58.407 58.200 0.116 0.000 1.276 563 S CB -0.378 62.889 63.200 0.111 0.000 1.360 563 S HN 1.724 nan 8.310 nan 0.000 0.563 564 G N 2.476 111.315 108.800 0.065 0.000 2.259 564 G HA2 -0.273 3.700 3.960 0.021 0.000 0.217 564 G HA3 -0.273 3.700 3.960 0.021 0.000 0.217 564 G C 0.960 175.885 174.900 0.043 0.000 1.001 564 G CA 0.186 45.315 45.100 0.048 0.000 0.627 564 G HN 0.730 nan 8.290 nan 0.000 0.501 565 S N -0.417 115.312 115.700 0.048 0.000 2.460 565 S HA 0.409 4.891 4.470 0.021 0.000 0.226 565 S C 2.232 176.855 174.600 0.038 0.000 1.057 565 S CA 1.704 59.927 58.200 0.038 0.000 0.948 565 S CB 0.246 63.467 63.200 0.036 0.000 0.822 565 S HN 2.175 nan 8.310 nan 0.000 0.512 566 G N 1.813 110.642 108.800 0.049 0.000 2.225 566 G HA2 -0.311 3.662 3.960 0.021 0.000 0.254 566 G HA3 -0.311 3.662 3.960 0.021 0.000 0.254 566 G C 0.159 175.083 174.900 0.039 0.000 0.988 566 G CA 0.463 45.592 45.100 0.048 0.000 0.625 566 G HN 0.506 nan 8.290 nan 0.000 0.527 567 K N 1.815 122.233 120.400 0.031 0.000 2.451 567 K HA 0.373 4.706 4.320 0.021 0.000 0.280 567 K C -2.024 174.582 176.600 0.011 0.000 1.020 567 K CA -1.293 55.004 56.287 0.017 0.000 1.008 567 K CB 0.547 33.054 32.500 0.012 0.000 0.917 567 K HN 0.086 nan 8.250 nan 0.000 0.478 568 P HA -0.083 nan 4.420 nan 0.000 0.268 568 P C 0.236 177.509 177.300 -0.044 0.000 1.208 568 P CA -0.215 62.875 63.100 -0.015 0.000 0.777 568 P CB 0.670 32.359 31.700 -0.018 0.000 0.875 569 V N 2.773 122.635 119.914 -0.087 0.000 3.217 569 V HA -0.068 4.064 4.120 0.021 0.000 0.264 569 V C 1.796 177.829 176.094 -0.102 0.000 1.135 569 V CA 1.312 63.530 62.300 -0.137 0.000 1.142 569 V CB -1.081 30.569 31.823 -0.289 0.000 0.754 569 V HN 0.523 nan 8.190 nan 0.000 0.484 570 R N -0.175 120.280 120.500 -0.074 0.000 2.328 570 R HA 0.142 4.495 4.340 0.021 0.000 0.200 570 R C 0.823 177.096 176.300 -0.045 0.000 0.983 570 R CA -0.020 56.045 56.100 -0.058 0.000 1.062 570 R CB 0.032 30.299 30.300 -0.055 0.000 0.956 570 R HN 0.414 nan 8.270 nan 0.000 0.479 571 S N 0.404 116.079 115.700 -0.041 0.000 2.690 571 S HA 0.293 4.776 4.470 0.021 0.000 0.285 571 S C 0.434 175.020 174.600 -0.024 0.000 1.135 571 S CA -0.771 57.412 58.200 -0.029 0.000 1.020 571 S CB 0.819 64.006 63.200 -0.022 0.000 1.159 571 S HN 0.005 nan 8.310 nan 0.000 0.534 572 I N 2.308 122.868 120.570 -0.016 0.000 3.384 572 I HA -0.197 3.986 4.170 0.021 0.000 0.354 572 I C -0.050 176.061 176.117 -0.009 0.000 1.101 572 I CA 0.697 61.990 61.300 -0.011 0.000 1.738 572 I CB -1.521 36.476 38.000 -0.006 0.000 1.174 572 I HN 0.420 nan 8.210 nan 0.000 0.442 573 I N 5.502 126.068 120.570 -0.005 0.000 3.204 573 I HA 0.631 4.814 4.170 0.021 0.000 0.313 573 I C -0.055 176.065 176.117 0.004 0.000 1.082 573 I CA -0.796 60.505 61.300 0.001 0.000 1.033 573 I CB 1.292 39.295 38.000 0.005 0.000 1.304 573 I HN 0.474 nan 8.210 nan 0.000 0.536 574 c N 1.713 120.318 118.600 0.009 0.000 2.547 574 c HA 0.743 5.326 4.570 0.021 0.000 0.313 574 c C -1.640 172.455 174.090 0.009 0.000 1.191 574 c CA -0.626 55.708 56.329 0.008 0.000 1.474 574 c CB 0.535 43.051 42.510 0.010 0.000 2.081 574 c HN 0.845 nan 8.230 nan 0.000 0.476 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.103 63.100 0.005 0.000 0.800 575 P CB 0.000 31.702 31.700 0.004 0.000 0.726