NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4950 8.3101 120.0900 56.4547 33.6426 174.4979 3 A 4.7799 8.7310 125.6436 50.1245 23.5074 172.9154 4 S 5.0666 10.0400 114.2341 56.8155 66.9147 171.2862 5 I 5.2759 8.6999 125.1835 59.5874 41.6481 174.3791 6 A 5.0421 9.0627 126.8101 50.2931 21.7874 174.4870 7 L 5.0454 9.1620 125.1981 53.9757 44.6293 174.9879 8 Q 4.8764 9.3327 127.5256 54.4159 31.7505 173.8712 9 V 4.5667 8.5368 126.4407 61.6077 33.7022 175.6332 10 L 4.7445 9.2941 126.8742 52.5902 44.2917 173.1492 11 P 4.9900 0.0000 0.0000 61.5264 32.4293 176.4211 12 L 4.8149 8.4109 124.5435 55.2582 41.5340 177.5150 13 V 4.2387 8.2982 117.2957 64.3618 34.4489 175.1010 14 Q 4.6496 7.5313 117.1926 55.9168 27.3269 175.2341 15 G 4.0481 8.2524 100.9142 45.0865 0.0000 173.4329 16 I 4.2215 7.8712 109.6787 62.6986 38.5118 177.6562 17 D 4.1719 7.3386 123.3546 57.9257 41.5855 178.6922 18 R 3.8534 7.8133 117.9025 59.3917 30.0837 178.1942 19 I 3.8767 7.7737 108.6681 62.2975 37.7348 177.2586 20 A 4.1674 7.8240 124.1068 55.1404 18.9116 179.8439 21 V 3.6745 7.9544 117.3672 64.9268 31.2210 178.6992 22 I 3.7048 8.0287 120.4826 64.3911 37.0363 177.7868 23 D 4.4161 7.6318 118.3719 57.6977 40.6372 179.0971 24 Q 3.9556 8.4337 118.5785 59.1760 28.8379 178.9164 25 V 3.8039 8.0007 119.0759 66.2394 31.3618 178.2870 26 I 3.7126 8.1733 119.5949 64.2047 36.7835 178.0452 27 A 3.9675 8.1644 120.5549 55.3609 18.5176 178.5578 28 Y 4.2181 8.4461 118.2528 61.0413 38.9904 178.2933 29 L 3.6140 7.9877 119.5963 58.0736 41.5279 179.7100 30 Q 3.9916 7.9858 116.6079 59.1459 28.6216 178.7046 31 T 3.9244 7.3862 116.2356 65.6029 68.6534 175.1266 32 Q 4.0827 6.7872 117.9896 55.8429 29.8640 176.2058 33 E 4.4556 8.2926 120.3885 55.8952 28.6800 176.5592 34 V 4.5692 6.9555 117.1837 59.8099 35.0058 177.5489 35 T 3.9910 8.3219 118.9359 63.6964 70.2649 173.2804 *37 V 4.0724 8.1177 122.0766 62.9299 33.0764 174.4160 38 V 4.2653 8.5005 128.1300 62.0379 31.6634 175.0744 39 T 4.6229 8.3047 117.4370 58.8355 71.1117 173.4623 40 P 4.2573 0.0000 0.0000 65.0394 31.2418 177.4471 41 F 4.8128 7.6585 114.0790 57.2057 41.2923 174.7057 42 E 4.9878 7.9414 116.0843 55.5087 33.4545 174.1199 43 T 4.9260 9.0089 118.5421 62.1787 70.5517 173.7950 44 V 4.6217 8.8841 127.7576 61.6938 32.6352 175.0516 45 L 5.1163 9.1726 127.9549 53.0434 44.9045 175.1000 46 E 4.8231 9.6004 122.1338 53.6048 32.8110 176.0390 47 G 3.9332 7.8278 112.0699 45.3775 0.0000 170.9156 48 E 4.3630 8.2687 119.4080 55.8802 30.9870 177.0022 49 F 4.3127 8.9767 125.9680 61.8857 39.4731 176.7330 50 D 4.3749 8.2328 116.3778 57.5218 40.9735 178.4790 51 E 4.1425 8.0645 117.2857 59.1890 29.5864 179.5305 52 L 4.2369 7.7621 118.6109 54.5982 41.6420 179.1383 *54 R 4.1642 7.9729 120.5297 56.5327 32.0153 177.5011 55 I 3.9196 8.2579 118.8940 64.1365 36.9332 178.0545 56 L 3.9197 8.5305 121.7761 58.1144 41.9265 178.9033 57 K 3.8230 7.9717 118.8911 59.5207 32.1207 178.1333 58 E 3.8537 8.2297 119.2217 59.0481 29.5490 178.3218 59 A 3.8487 8.4095 121.1651 55.4527 18.3580 179.7034 60 L 3.9330 8.0408 117.2865 57.9409 41.4211 179.6554 61 E 3.8986 7.9399 117.8479 59.0197 29.6133 179.3534 62 V 3.5878 8.0176 118.6324 65.9705 31.1729 177.9023 63 A 4.0953 8.0808 120.6541 55.1997 18.0085 179.7392 64 G 3.2989 8.3178 103.0246 46.4032 0.0000 174.3352 65 Q 4.6664 7.5046 122.3707 54.7858 29.0466 175.1013 66 E 4.6688 7.8966 115.9947 56.7550 35.0431 173.9005 67 A 4.6842 7.3295 119.2386 51.6342 22.3102 175.9742 68 D 4.4783 8.6341 119.8927 55.7835 41.6819 176.3423 69 N 4.9722 8.0803 115.9583 51.4108 41.5223 173.4919 70 V 4.7349 8.4893 123.7682 60.8230 34.2028 174.3188 71 F 4.9097 9.1338 129.4607 56.3436 42.2896 173.6636 72 A 5.1243 7.1097 125.3600 50.3414 22.5255 174.6728 73 N 4.9444 9.3345 118.6244 51.5861 41.0681 174.3631 74 V 4.9402 8.2928 122.0719 61.0583 35.1185 174.3477 75 K 4.7455 8.9604 126.0088 54.6420 35.0155 175.1034 76 I 5.0800 8.4265 124.5764 59.6300 40.2917 174.2913 77 N 5.0712 9.6321 123.7809 52.3098 43.2123 173.9958 78 V 4.4424 8.0828 116.4268 61.0870 34.8003 176.1415 79 G 3.8086 8.7517 112.8619 44.8941 0.0000 170.9976 80 E 3.7564 8.5863 114.0719 57.5470 30.1175 175.0746 81 I 3.7920 8.3491 118.3781 62.6032 36.0236 176.4755 82 L 4.6859 8.2981 120.8484 54.4685 46.4105 175.4750 83 S 4.6417 8.4115 112.1723 58.3693 65.8230 176.2282 84 I 3.7468 8.0314 121.0316 64.7544 37.0550 177.6151 85 D 4.4292 8.3158 118.2453 57.4304 40.7068 177.9340 86 E 3.8782 7.6443 118.1906 58.8871 29.5412 175.7172 87 K 3.8492 7.7880 118.5359 56.3409 31.2539 176.4477 88 L 3.8286 8.0678 125.0411 56.8536 41.4956 177.9277 89 E 3.7139 7.7296 119.3915 54.8519 27.0766 175.6696 90 K 4.0090 7.5018 122.5008 57.4741 33.1347 175.4124 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 K 8.31 4.49 0.00 1.66 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 3 A 8.73 4.78 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 10.04 5.07 0.00 3.87 3.66 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 5 I 8.70 5.28 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.98 0.00 0.00 6 A 9.06 5.04 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 7 L 9.16 5.05 0.00 1.74 1.55 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 9.33 4.88 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 9 V 8.54 4.57 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 0.89 0.00 0.00 0.95 0.00 0.00 10 L 9.29 4.74 0.00 1.90 1.64 1.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.99 0.00 1.96 2.00 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 12 L 8.41 4.81 0.00 1.52 1.62 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.30 4.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 14 Q 7.53 4.65 0.00 2.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 15 G 8.25 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.87 4.22 1.87 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 1.41 0.82 0.91 0.00 0.00 17 D 7.34 4.17 0.00 2.77 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.81 3.85 0.00 1.88 1.92 0.00 3.12 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 19 I 7.77 3.88 1.86 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 1.47 0.65 0.91 0.00 0.00 20 A 7.82 4.17 1.34 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 0.00 0.00 21 V 7.95 3.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 22 I 8.03 3.70 1.88 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 1.55 0.81 0.92 0.00 0.00 23 D 7.63 4.42 0.00 2.95 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 24 Q 8.43 3.96 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 25 V 8.00 3.80 2.26 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 1.10 0.00 0.00 1.06 0.00 0.00 26 I 8.17 3.71 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.69 0.91 0.00 0.00 27 A 8.16 3.97 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 28 Y 8.45 4.22 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.99 3.61 0.00 2.07 1.65 1.04 0.74 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 30 Q 7.99 3.99 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 31 T 7.39 3.92 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 32 Q 6.79 4.08 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.44 0.00 0.00 0.00 0.00 0.00 1.71 2.23 0.00 33 E 8.29 4.46 0.00 1.92 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 2.23 2.25 0.00 34 V 6.96 4.57 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 0.69 0.00 0.00 0.96 0.00 0.00 35 T 8.32 3.99 4.37 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 1.29 0.00 0.00 *37 V 8.12 4.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.05 0.00 0.00 38 V 8.50 4.27 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 0.89 0.00 0.00 0.93 0.00 0.00 39 T 8.30 4.62 4.29 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 1.24 0.00 0.00 40 P 0.00 4.26 0.00 2.02 2.06 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 41 F 7.66 4.81 0.00 3.06 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.94 4.99 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 43 T 9.01 4.93 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 44 V 8.88 4.62 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 0.86 0.00 0.00 0.96 0.00 0.00 45 L 9.17 5.12 0.00 1.57 1.53 0.93 0.53 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 46 E 9.60 4.82 0.00 1.93 1.76 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 2.22 2.26 0.00 47 G 7.83 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 0.00 0.00 0.00 48 E 8.27 4.36 0.00 2.16 1.93 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 2.42 2.33 0.00 49 F 8.98 4.31 0.00 2.93 3.16 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 50 D 8.23 4.37 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.06 4.14 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 52 L 7.76 4.24 0.00 1.81 1.71 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *54 R 7.97 4.16 0.00 1.92 2.13 0.00 3.19 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 55 I 8.26 3.92 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 1.00 0.00 0.00 56 L 8.53 3.92 0.00 1.79 1.68 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.97 3.82 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.46 7.81 58 E 8.23 3.85 0.00 2.22 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 2.22 2.43 0.00 59 A 8.41 3.85 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 60 L 8.04 3.93 0.00 1.78 1.67 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.94 3.90 0.00 1.94 1.92 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 2.28 2.50 0.00 62 V 8.02 3.59 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.64 0.00 0.00 63 A 8.08 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.32 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.50 4.67 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 66 E 7.90 4.67 0.00 1.90 1.99 0.00 0.00 0.00 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 2.35 0.00 67 A 7.33 4.68 1.16 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 68 D 8.63 4.48 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 4.97 0.00 2.62 2.75 0.00 0.00 6.57 7.68 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 70 V 8.49 4.73 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 0.79 0.00 0.00 0.97 0.00 0.00 71 F 9.13 4.91 0.00 3.17 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.11 5.12 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.33 4.94 0.00 2.72 2.79 0.00 0.00 6.35 7.72 0.00 0.00 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 V 8.29 4.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.89 0.00 0.00 75 K 8.96 4.75 0.00 1.75 1.68 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.39 7.81 76 I 8.43 5.08 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 1.07 0.00 0.00 77 N 9.63 5.07 0.00 2.66 2.59 0.00 0.00 6.74 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.08 4.44 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.84 0.00 0.00 79 G 8.75 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.59 3.76 0.00 2.01 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 2.21 2.25 0.00 81 I 8.35 3.79 1.87 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 1.30 0.67 0.91 0.00 0.00 82 L 8.30 4.69 0.00 1.59 1.69 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.41 4.64 0.00 3.85 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 84 I 8.03 3.75 1.87 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 1.42 0.61 0.91 0.00 0.00 85 D 8.32 4.43 0.00 2.65 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.64 3.88 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 87 K 7.79 3.85 0.00 1.87 1.99 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.43 7.81 88 L 8.07 3.83 0.00 1.78 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.73 3.71 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 90 K 7.50 4.01 0.00 1.91 1.67 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.19 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.