NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4706 0.0000 0.0000 62.7266 32.2665 176.4359 3 D 4.5811 8.3591 124.6548 51.7022 39.7365 173.7960 4 S 4.2212 8.1042 114.8715 58.8459 63.9149 173.7211 5 P 4.5811 0.0000 0.0000 64.0622 31.3735 178.4183 6 T 3.8292 7.7254 116.7850 66.8833 68.4451 176.0091 7 L 3.8324 7.9007 121.6438 58.1261 42.1457 178.5799 8 L 4.2217 8.0178 119.8395 58.1657 42.0150 178.2428 9 D 4.3321 8.4382 118.3379 57.2768 41.1722 178.2287 10 L 3.9507 8.0799 119.5849 57.7125 41.4835 179.5206 11 F 4.2218 8.2109 117.4896 60.4550 38.9746 177.5022 12 A 4.0282 8.4074 120.6231 55.3359 18.1557 179.4841 13 E 3.8444 8.5368 117.4214 59.7939 29.5600 179.4748 14 D 4.3899 8.3153 118.8163 57.1294 40.7622 178.7975 15 I 3.8472 8.1958 120.9637 64.2567 37.1236 178.6358 16 G 3.5541 7.8888 105.9256 48.2889 0.0000 175.5568 17 H 4.3542 8.2888 119.1236 58.3268 28.6039 177.8686 18 A 4.0358 8.6516 123.0906 55.1121 18.2257 179.3740 19 N 4.2710 8.4944 115.3487 56.6650 38.5855 177.6623 20 Q 4.0206 8.2008 119.3515 58.7430 28.7594 178.5073 21 L 3.9268 8.3122 121.7931 58.0839 42.1473 178.7212 22 L 3.9490 8.1308 120.3455 58.3603 41.9496 178.9399 23 Q 4.0274 8.1790 117.8454 59.0701 28.5705 178.8990 24 L 4.0299 8.1809 120.0964 57.7694 41.5711 179.7630 25 V 3.6102 8.3037 118.7635 65.9390 31.4061 177.6554 26 D 4.3924 8.3543 118.0243 57.1607 41.0154 177.7868 27 E 3.9537 8.5699 120.4090 59.2527 29.6251 178.3996 28 E 3.9264 8.5797 119.7179 59.1330 29.6016 178.3296 29 F 4.2835 8.5055 120.8420 61.6622 39.4348 177.1699 30 Q 3.6926 8.3625 117.2080 58.7520 28.4754 178.5673 31 A 3.9426 8.1225 121.8141 55.1747 18.5553 179.5906 32 L 3.8856 8.2274 117.7643 58.1432 41.5086 179.6172 33 E 3.8542 7.9318 117.3471 58.9051 29.4118 178.7257 34 R 4.2932 7.5437 114.8589 54.8459 30.7290 176.3140 35 R 3.7235 7.4801 116.3891 57.3874 28.0354 177.7313 36 E 4.3494 8.0161 118.9572 55.0511 29.7214 175.7953 37 L 4.1010 8.1103 126.2172 57.6060 42.1924 176.6016 38 P 4.3179 0.0000 0.0000 65.4044 31.1789 178.7923 39 V 3.5604 7.7493 117.2869 64.1680 31.5011 178.2719 40 L 3.9566 7.9272 120.3726 57.8177 41.4333 179.0155 41 Q 3.9895 7.6471 119.2608 59.3592 28.9551 178.4754 42 Q 4.0333 7.9067 118.6211 58.8157 28.8393 178.4222 43 L 4.0086 8.2121 120.3553 57.5323 41.5082 179.1013 44 L 4.0556 8.1416 120.5324 58.2896 41.7738 179.4177 45 G 3.5763 7.8424 104.2302 47.6831 0.0000 175.2970 46 A 4.1652 7.8979 122.3075 54.8154 18.4929 179.5976 47 K 4.1039 8.1296 117.0197 59.1681 31.8352 179.3377 48 Q 4.0662 7.5757 118.4950 58.5706 29.0233 176.4913 49 P 4.3433 0.0000 0.0000 65.7016 31.7112 177.8913 50 L 4.0118 7.7438 119.9927 56.0779 41.2173 179.3683 *52 Q 4.2768 8.2173 119.0878 55.2763 30.4347 180.7221 53 Q 4.0196 8.0506 118.1269 58.7470 28.5894 178.8577 54 L 3.9854 8.3312 120.4277 57.6332 41.6315 179.2157 55 E 3.8843 8.0711 118.6373 59.4326 29.6800 178.9018 56 R 3.9064 8.1881 118.2910 59.4985 30.0694 178.9469 57 N 4.4217 8.6332 116.7129 55.9113 38.4711 177.7457 58 G 3.5690 8.4143 107.7843 47.9537 0.0000 175.9904 59 R 3.9061 8.0867 120.2646 58.6439 30.0132 179.1389 60 A 3.9101 8.0295 120.7711 55.2585 18.4724 179.8587 61 R 3.6486 8.1087 116.7116 59.2572 30.0243 179.1673 62 A 3.9381 8.0441 120.5712 55.1430 18.3264 179.3301 63 E 3.8915 8.2163 117.8100 59.2556 29.7791 179.1154 64 I 3.6581 7.7317 119.8641 64.4430 37.2937 178.4509 65 L 3.9031 7.8027 119.7396 57.6456 41.4264 179.5289 66 R 3.8945 8.3650 119.1249 59.6030 29.8204 178.5222 67 E 4.0478 8.2531 116.9869 58.9044 29.5332 178.3978 68 A 4.3789 7.7444 118.4642 52.2371 18.7268 177.9325 69 G 3.8322 7.9613 105.2005 46.0259 0.0000 173.9447 70 V 4.4736 7.3161 111.7254 58.6685 34.3685 176.0910 71 S 4.3407 8.2639 115.7497 58.5831 64.0673 174.2673 72 L 4.7738 8.0117 123.5443 52.3317 40.0932 174.2563 73 D 4.5459 7.0640 119.5098 51.3979 42.5264 177.1063 74 R 3.8896 8.4750 117.9053 59.5980 29.8906 178.1427 75 E 4.1233 8.3051 118.3252 59.1558 29.4311 179.3558 76 G 4.1588 8.5736 107.2526 47.2401 0.0000 175.3876 77 L 4.0035 8.2043 123.1509 57.9424 41.9791 178.9292 78 A 4.0088 8.4753 121.0238 55.1106 18.0323 179.6108 79 R 3.8575 7.9489 116.4464 59.7056 30.2730 177.6729 80 Y 4.1680 8.2599 118.3601 60.8554 39.0383 177.8666 81 A 4.1929 8.5687 121.3789 54.2750 18.2440 179.2829 82 R 3.7838 7.3733 117.8567 59.5463 30.0299 177.1566 83 E 4.5206 8.0233 112.8814 55.9884 29.9998 175.5087 84 R 4.4839 7.8047 119.2543 54.2374 31.6503 177.5736 85 A 3.9882 8.6385 125.0085 54.9991 18.6627 178.4834 86 D 4.8745 8.0679 114.2448 53.6320 39.7847 178.4933 87 G 3.5774 8.1186 109.3205 48.2368 0.0000 176.0595 88 A 4.0259 7.9353 122.8488 54.8155 18.3565 179.4697 89 E 3.8662 8.0955 116.6956 59.3399 29.5632 178.9991 90 L 3.8697 8.1400 119.3911 58.0161 41.7781 179.7379 91 L 3.8300 7.9707 118.1627 57.6556 41.5720 179.4415 92 A 3.9183 8.0030 120.6742 55.3250 18.2583 179.9824 93 R 3.8613 8.1602 117.0143 59.1143 30.0857 179.4204 94 G 3.1373 7.5684 105.8808 47.8353 0.0000 175.5013 95 D 4.3365 8.0491 121.3619 56.7995 40.7574 178.4816 96 E 3.8665 8.2300 119.9641 59.1338 29.5938 178.5185 97 L 4.0661 8.2907 120.9015 58.2410 42.1799 179.1530 98 G 3.6429 8.2451 105.6047 47.7575 0.0000 175.2725 99 E 3.9356 8.1851 121.6069 59.0944 29.6115 178.9511 100 L 3.9865 8.1209 119.1316 57.7988 41.5953 179.5210 101 L 3.9926 8.3301 119.3964 57.6497 41.4391 179.2169 102 E 3.9132 8.2018 119.3280 59.2122 29.5994 178.9787 103 R 4.0445 8.2186 118.3476 59.5057 30.0777 178.7223 104 C 4.0882 8.3360 116.6946 62.8936 28.1345 175.9741 105 Q 3.9359 8.2556 121.1078 59.3571 28.5884 178.4162 106 Q 3.9435 8.3207 118.9484 58.9731 28.7570 178.6862 107 A 3.8806 8.1093 121.8305 54.9874 18.3635 179.2548 108 N 4.2846 8.4146 115.8998 56.7038 39.0464 177.1212 109 L 4.0005 8.0791 120.5589 57.7367 41.4767 179.3564 110 R 3.8764 7.9005 117.6662 59.5063 30.2598 178.0243 111 N 4.6869 8.2636 116.2690 56.3919 38.3838 177.4337 112 G 3.7798 8.2871 106.0819 48.2953 0.0000 175.5723 113 R 4.0958 7.9519 119.1414 58.9327 30.0840 178.8640 114 I 3.8267 7.5785 118.7542 63.6549 37.5448 176.9127 *117 A 4.3982 7.7994 121.7242 52.2603 20.1160 177.8311 118 N 4.6331 8.1543 109.9003 54.9021 39.1565 175.5914 119 Q 4.5085 7.8506 116.2182 55.9881 29.9792 177.0716 120 A 4.0897 7.5644 120.9453 55.2767 18.3666 179.7014 121 S 4.1878 8.1067 113.7721 62.2211 63.1343 177.2821 *122 T 3.9790 7.9739 117.7040 65.7758 68.2168 179.0531 123 G 3.7646 8.1126 108.9178 47.6434 0.0000 175.7541 124 S 4.1217 8.3608 118.5840 61.3181 62.8429 176.6182 125 L 3.9279 7.9876 122.6652 58.3423 41.7910 179.0954 126 L 4.0049 8.0388 118.8388 57.5101 41.2773 179.0485 127 N 4.2749 8.0862 115.8948 56.4488 38.6312 176.9536 128 I 3.8498 7.6493 119.5565 64.6893 37.3770 178.3922 129 L 4.0971 8.0408 118.2480 57.0901 41.4500 177.8210 130 R 4.2789 7.8395 122.6035 56.4379 30.2066 175.6160 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 P 0.00 4.47 0.00 1.92 1.98 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.02 0.00 3 D 8.36 4.58 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.10 4.22 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.33 2.29 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 6 T 7.73 3.83 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 7 L 7.90 3.83 0.00 1.73 1.77 0.59 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.02 4.22 0.00 1.91 1.73 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.44 4.33 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.08 3.95 0.00 1.65 1.47 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.21 4.22 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.41 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.54 3.84 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 14 D 8.32 4.39 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.20 3.85 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.86 0.92 0.00 0.00 16 G 7.89 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.29 4.35 0.00 3.19 3.33 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.65 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.49 4.27 0.00 2.98 2.89 0.00 0.00 7.03 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.20 4.02 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 21 L 8.31 3.93 0.00 1.83 1.83 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.13 3.95 0.00 1.89 1.82 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.18 4.03 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 24 L 8.18 4.03 0.00 1.84 1.73 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.30 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.01 0.00 0.00 26 D 8.35 4.39 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.57 3.95 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 28 E 8.58 3.93 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 29 F 8.51 4.28 0.00 3.29 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.36 3.69 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 31 A 8.12 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.23 3.89 0.00 1.78 1.70 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.93 3.85 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 34 R 7.54 4.29 0.00 1.74 1.91 0.00 3.27 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 35 R 7.48 3.72 0.00 2.23 1.99 0.00 3.26 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 36 E 8.02 4.35 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 37 L 8.11 4.10 0.00 1.80 1.64 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.32 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 39 V 7.75 3.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 40 L 7.93 3.96 0.00 1.82 1.76 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.65 3.99 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 42 Q 7.91 4.03 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 43 L 8.21 4.01 0.00 1.83 1.73 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.14 4.06 0.00 1.77 1.87 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.84 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.90 4.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.13 4.10 0.00 1.98 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.74 7.81 48 Q 7.58 4.07 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 49 P 0.00 4.34 0.00 2.18 2.29 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.98 0.00 50 L 7.74 4.01 0.00 1.87 1.70 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *52 Q 8.22 4.28 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.91 0.00 0.00 0.00 0.00 0.00 2.26 1.96 0.00 53 Q 8.05 4.02 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 54 L 8.33 3.99 0.00 1.64 1.72 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.07 3.88 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 56 R 8.19 3.91 0.00 1.94 1.94 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 57 N 8.63 4.42 0.00 2.92 2.85 0.00 0.00 6.94 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.41 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.09 3.91 0.00 1.98 1.96 0.00 3.11 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 60 A 8.03 3.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.11 3.65 0.00 1.62 1.67 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.50 0.00 62 A 8.04 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.22 3.89 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 64 I 7.73 3.66 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.86 0.74 0.00 0.00 65 L 7.80 3.90 0.00 1.63 1.66 0.88 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.37 3.89 0.00 1.94 2.14 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 67 E 8.25 4.05 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 68 A 7.74 4.38 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.32 4.47 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.03 0.00 0.00 71 S 8.26 4.34 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.01 4.77 0.00 1.65 1.67 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.06 4.55 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.47 3.89 0.00 1.90 1.97 0.00 3.17 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 75 E 8.31 4.12 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 76 G 8.57 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.20 4.00 0.00 1.82 1.89 1.06 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.48 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.95 3.86 0.00 1.85 2.20 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 80 Y 8.26 4.17 0.00 3.05 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.57 4.19 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.37 3.78 0.00 1.91 2.09 0.00 3.24 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 83 E 8.02 4.52 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 84 R 7.80 4.48 0.00 1.94 1.91 0.00 2.52 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 85 A 8.64 3.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.07 4.87 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.12 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.94 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.10 3.87 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 90 L 8.14 3.87 0.00 1.89 1.76 1.26 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.97 3.83 0.00 1.65 1.66 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.00 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.16 3.86 0.00 1.47 1.87 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 94 G 7.57 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.05 4.34 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.23 3.87 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 97 L 8.29 4.07 0.00 1.96 1.91 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.25 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.19 3.94 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 100 L 8.12 3.99 0.00 1.89 1.71 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.33 3.99 0.00 1.68 1.72 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.20 3.91 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 103 R 8.22 4.04 0.00 2.05 1.95 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 104 C 8.34 4.09 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.26 3.94 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 106 Q 8.32 3.94 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 107 A 8.11 3.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.41 4.28 0.00 2.90 2.99 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.08 4.00 0.00 1.87 1.69 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.90 3.88 0.00 1.71 2.01 0.00 2.59 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 111 N 8.26 4.69 0.00 3.07 2.91 0.00 0.00 6.93 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.29 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.95 4.10 0.00 2.23 2.03 0.00 3.28 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 114 I 7.58 3.83 2.09 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 0.94 0.00 0.00 *117 A 7.80 4.40 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.15 4.63 0.00 2.74 2.89 0.00 0.00 6.80 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.85 4.51 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 120 A 7.56 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.11 4.19 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *122 T 7.97 3.98 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 123 G 8.11 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.36 4.12 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.99 3.93 0.00 1.76 1.91 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.04 4.00 0.00 1.80 1.70 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.09 4.27 0.00 2.90 2.88 0.00 0.00 7.05 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.65 3.85 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.90 0.00 0.00 129 L 8.04 4.10 0.00 1.60 1.74 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.84 4.28 0.00 1.86 1.87 0.00 3.29 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.