NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 3.9951 8.4449 120.2058 55.3918 31.4868 175.2426 8 F 4.6600 7.9057 116.8690 55.1763 40.4302 172.3220 9 A 4.9256 9.0258 129.7843 49.4773 22.3721 175.4421 10 L 4.1329 8.5120 120.5911 56.5892 41.9357 178.3074 11 G 3.8852 9.4066 112.2433 45.3709 0.0000 173.4745 12 G 3.9893 8.0450 107.8802 45.2255 0.0000 173.1596 13 R 4.9348 8.2305 120.3234 55.9089 31.5891 174.5483 14 C 4.9173 8.6709 117.5651 57.7510 33.8435 172.1046 15 L 5.3700 9.1100 118.3803 53.0463 44.6901 176.0065 16 A 5.1873 8.9542 123.1754 50.1672 22.8266 175.5798 17 F 4.8291 9.3550 121.8976 57.8704 39.8415 175.1390 18 H 4.7246 9.3444 122.9362 55.1119 31.7888 173.9600 19 G 3.9487 8.7300 119.0899 45.3614 0.0000 170.9683 20 P 4.5253 0.0000 0.0000 64.3738 32.1309 176.1175 21 L 4.7606 7.9134 118.8703 53.4275 44.8419 174.8877 22 M 4.7379 7.8879 119.3596 53.9767 34.2889 175.3073 23 Y 4.7598 8.5455 118.4358 55.8726 42.9025 174.4383 24 E 4.6336 8.9286 123.6512 56.6015 31.2336 175.3284 25 A 4.9588 9.1556 127.2429 50.2983 23.7177 174.2831 26 K 4.8995 8.5906 119.8649 54.6123 35.6446 175.1195 27 I 4.1838 8.6996 128.5582 61.1613 37.7039 176.2891 28 L 4.5923 9.1714 127.8753 55.8364 43.7513 176.8556 29 K 5.2273 7.7431 115.7750 54.8614 37.1944 175.4433 30 I 5.0369 9.0004 122.9161 59.4730 40.6590 174.1890 31 W 5.1965 9.4928 135.0000 56.1110 32.7948 174.2884 32 D 4.7262 8.2251 127.6405 51.8486 41.2962 175.2844 33 P 3.9482 0.0000 0.0000 65.2748 32.0119 178.2614 34 S 4.1575 7.8565 115.1168 61.5176 62.7308 175.7442 35 S 4.0975 7.8952 111.7864 58.4311 63.5108 173.7014 36 K 2.6381 7.0469 119.7538 57.1827 29.9922 174.6039 37 M 4.9964 6.4779 115.2650 53.7311 37.0038 174.8452 38 Y 5.5815 8.8065 119.8426 55.6731 41.6723 174.5327 39 T 5.0687 8.9361 110.7595 60.4978 71.5396 173.4139 40 S 5.1905 8.5226 116.6691 56.2506 65.9056 173.4913 41 I 3.7983 8.3868 126.3022 61.6449 37.5182 175.3234 42 P 4.6612 0.0000 0.0000 62.2270 32.7350 175.4999 43 N 4.9712 8.3258 113.1636 53.4057 39.8302 175.0489 *54 K 4.3978 7.5074 117.2411 56.7180 32.9764 175.8078 55 E 4.3234 8.9350 122.5662 58.4823 31.4445 175.5683 56 I 4.2281 7.7331 120.8917 60.1378 37.1680 174.9008 57 K 4.7177 8.2000 124.7291 53.5879 34.3494 174.9192 58 P 4.7314 0.0000 0.0000 63.3210 32.1450 175.6693 59 Q 4.6017 8.9362 120.3438 54.1618 32.2785 174.5304 60 K 4.4528 8.3992 120.2646 56.1564 33.9892 176.5581 61 L 4.2017 8.6214 121.0525 54.6726 42.3181 177.8656 62 G 3.9535 9.5199 112.8044 45.2916 0.0000 174.2287 63 E 3.9649 8.7872 117.5810 58.6524 29.5354 177.6646 64 D 4.8299 8.0099 115.7272 53.7819 41.5772 175.6260 65 E 4.6115 7.6613 118.9641 55.2980 31.0930 175.5037 66 S 4.5173 8.1873 113.9267 56.8243 65.5738 173.1983 67 I 4.0963 7.5317 126.5419 58.2183 39.5226 173.9078 68 P 4.2576 0.0000 0.0000 62.5410 31.6559 176.8040 69 E 3.8452 8.9681 123.1056 59.3484 29.6874 178.4088 70 E 3.8630 8.3321 118.3552 58.4176 29.6979 177.0889 71 I 4.4927 7.8433 109.3760 60.2474 39.1781 177.1026 72 I 3.3849 7.1334 120.8926 63.8316 37.7607 175.9409 73 N 4.7701 8.2265 115.2642 53.2767 38.5628 173.7927 74 G 4.3714 7.9825 105.8135 43.5418 0.0000 172.7249 75 K 4.3895 8.6614 121.2645 56.7159 32.6398 175.8535 76 C 5.1563 8.6188 124.0276 57.9654 32.8184 172.8733 77 F 5.3295 9.3599 119.2271 55.8359 42.6793 173.7612 78 F 4.4100 8.7451 126.7958 56.6438 40.3453 174.4786 79 I 4.6583 7.8362 120.0179 59.0730 41.0621 173.7025 80 H 5.0074 8.3450 123.2394 54.4352 32.4039 172.5460 81 Y 4.0374 7.9001 123.4982 56.9098 38.9726 174.8828 82 Q 4.0700 8.3910 126.5512 57.6100 29.3872 176.5452 83 G 4.1057 9.1230 114.2071 45.1766 0.0000 173.2403 84 W 4.6739 7.7066 118.9103 55.1128 30.5415 176.4050 85 K 4.3385 8.6009 119.6411 56.5514 32.2277 178.6626 86 S 4.8911 9.0418 115.7866 60.0383 63.1815 176.3186 87 S 4.2481 8.1563 115.2227 60.4825 62.8748 174.8551 88 W 4.5781 8.2649 119.4979 57.1469 29.4590 176.2855 89 D 4.5940 7.9278 120.4730 54.8076 41.3264 175.3717 90 E 4.7663 7.7030 118.3786 54.9961 33.5698 174.0623 91 W 5.0707 8.8814 120.8273 56.7663 29.9351 176.3340 92 V 4.6265 9.3504 117.3249 59.8695 35.9318 175.6926 93 G 4.3751 8.2862 111.3240 44.1583 0.0000 173.6537 94 Y 4.4408 8.4885 115.6698 60.6736 38.0682 177.1774 95 D 4.5567 8.4528 118.7142 56.6038 41.5781 176.6855 96 R 4.7651 8.2081 116.7423 56.4693 32.8318 176.3729 97 I 4.6071 7.8273 118.2551 60.3568 39.2026 175.2690 98 R 5.1034 9.1773 125.7820 54.1837 34.6891 174.6104 99 A 4.2555 8.8716 123.9337 52.4569 19.3196 177.5437 100 Y 4.3110 8.6115 123.0663 56.5778 38.1160 173.7579 101 N 5.0225 7.7940 122.0602 49.6640 41.4200 175.8724 102 E 3.8358 8.6941 116.7362 59.4425 29.3854 179.1255 103 E 3.8576 8.0559 118.7662 59.5280 29.7481 178.5278 104 N 4.3841 8.7804 116.7794 55.9805 38.4980 177.5920 105 I 3.4691 7.6941 121.2391 64.2634 37.1398 178.2834 106 A 3.9086 7.8370 121.5669 55.2260 18.0793 179.4172 107 M 3.9169 8.0734 116.7583 58.4709 32.3219 178.0712 108 K 3.6449 8.1850 120.2458 59.6753 32.2726 178.7783 109 K 3.9083 8.1258 118.5676 59.3701 31.8640 179.3385 110 R 3.8772 8.1043 119.0171 59.3744 29.7084 178.4603 111 L 3.9609 8.2316 118.8964 57.8344 41.4067 179.4557 112 A 4.0165 7.5318 118.9525 55.0271 18.5528 179.1826 113 N 4.4594 8.4616 114.3906 55.7365 38.8090 176.2786 114 L 4.4931 8.3175 117.9174 53.8228 44.2995 176.4039 115 E 4.3134 7.6877 121.7360 56.4944 29.8283 174.3595 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 7 E 8.44 4.00 0.00 1.70 1.19 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 1.91 2.16 0.00 8 F 7.91 4.66 0.00 3.25 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 9 A 9.03 4.93 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 10 L 8.51 4.13 0.00 1.72 1.71 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 G 9.41 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.23 4.93 0.00 1.59 1.55 0.00 2.21 0.00 0.00 2.57 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.27 0.00 14 C 8.67 4.92 0.00 3.27 3.09 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 0.00 0.00 0.00 15 L 9.11 5.37 0.00 1.55 1.47 0.72 0.97 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 16 A 8.95 5.19 1.14 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 17 F 9.36 4.83 0.00 3.01 3.10 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 0.00 0.00 0.00 18 H 9.34 4.72 0.00 3.07 3.22 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.73 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.27 2.26 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 21 L 7.91 4.76 0.00 1.48 1.23 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 M 7.89 4.74 0.00 1.43 1.56 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.81 0.00 23 Y 8.55 4.76 0.00 2.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 4.63 0.00 2.15 1.84 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 2.31 2.39 0.00 25 A 9.16 4.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.59 4.90 0.00 1.70 1.53 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.42 7.81 27 I 8.70 4.18 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.29 1.10 0.00 0.00 28 L 9.17 4.59 0.00 1.70 1.72 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.74 5.23 0.00 1.25 1.62 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.25 1.26 7.81 30 I 9.00 5.04 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.84 0.00 0.00 31 W 9.49 5.20 0.00 3.20 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.23 4.73 0.00 2.56 2.28 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 33 P 0.00 3.95 0.00 2.22 2.54 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 34 S 7.86 4.16 0.00 3.99 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 35 S 7.90 4.10 0.00 3.82 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 36 K 7.05 2.64 0.00 1.81 1.95 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.37 7.81 37 M 6.48 5.00 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.38 0.00 38 Y 8.81 5.58 0.00 3.34 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.94 5.07 4.34 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 1.27 0.00 0.00 40 S 8.52 5.19 0.00 4.12 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.39 3.80 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.92 0.00 0.00 42 P 0.00 4.66 0.00 2.06 2.05 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 43 N 8.33 4.97 0.00 2.75 2.85 0.00 0.00 5.88 7.13 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 *54 K 7.51 4.40 0.00 1.80 1.52 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.39 7.81 55 E 8.93 4.32 0.00 1.87 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 2.19 2.30 0.00 56 I 7.73 4.23 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 1.03 0.00 0.00 57 K 8.20 4.72 0.00 1.61 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.44 7.81 58 P 0.00 4.73 0.00 1.87 1.92 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 59 Q 8.94 4.60 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.17 1.51 0.00 60 K 8.40 4.45 0.00 1.77 1.81 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.43 7.81 61 L 8.62 4.20 0.00 1.71 1.68 0.60 0.81 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 62 G 9.52 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 3.96 0.00 2.09 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 2.29 2.35 0.00 64 D 8.01 4.83 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.66 4.61 0.00 2.04 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 2.30 2.27 0.00 66 S 8.19 4.52 0.00 3.74 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 67 I 7.53 4.10 0.97 0.00 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.17 0.00 0.00 68 P 0.00 4.26 0.00 2.18 1.99 0.00 3.58 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 69 E 8.97 3.85 0.00 1.97 1.95 0.00 0.00 0.00 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 2.30 0.00 70 E 8.33 3.86 0.00 1.97 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 2.33 2.34 0.00 71 I 7.84 4.49 1.89 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 1.18 0.61 0.96 0.00 0.00 72 I 7.13 3.38 1.79 0.00 0.00 0.62 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 0.24 0.95 0.00 0.00 73 N 8.23 4.77 0.00 2.79 2.87 0.00 0.00 6.63 7.65 0.00 0.00 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 G 7.98 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 0.00 0.00 0.00 0.00 75 K 8.66 4.39 0.00 1.80 1.48 0.00 1.76 0.00 0.00 1.92 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.72 1.33 7.81 76 C 8.62 5.16 0.00 2.79 2.99 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 0.00 0.00 0.00 77 F 9.36 5.33 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.75 4.41 0.00 1.51 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 0.00 0.00 0.00 0.00 79 I 7.84 4.66 1.35 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.19 0.68 0.00 0.00 80 H 8.35 5.01 0.00 3.01 3.01 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.90 4.04 0.00 1.78 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 4.07 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 83 G 9.12 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 84 W 7.71 4.67 0.00 3.23 2.90 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 0.00 0.00 0.00 85 K 8.60 4.34 0.00 2.17 1.90 0.00 1.84 0.00 0.00 1.96 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.57 7.81 86 S 9.04 4.89 0.00 4.06 4.17 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 0.00 0.00 0.00 87 S 8.16 4.25 0.00 3.90 4.04 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 88 W 8.26 4.58 0.00 3.72 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 89 D 7.93 4.59 0.00 2.68 1.69 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 0.00 0.00 0.00 0.00 90 E 7.70 4.77 0.00 2.15 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 2.31 2.33 0.00 91 W 8.88 5.07 0.00 3.23 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 92 V 9.35 4.63 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 0.82 0.00 0.00 1.00 0.00 0.00 93 G 8.29 4.38 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 0.00 94 Y 8.49 4.44 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.56 0.00 2.69 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 96 R 8.21 4.77 0.00 1.93 2.12 0.00 3.26 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 97 I 7.83 4.61 1.59 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.56 0.31 0.00 0.00 98 R 9.18 5.10 0.00 1.71 1.81 0.00 3.49 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 99 A 8.87 4.26 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.61 4.31 0.00 2.99 2.91 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 0.00 0.00 0.00 101 N 7.79 5.02 0.00 2.86 2.82 0.00 0.00 6.14 7.66 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 0.00 102 E 8.69 3.84 0.00 1.98 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 2.34 2.32 0.00 103 E 8.06 3.86 0.00 2.00 2.03 0.00 0.00 0.00 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 2.38 0.00 104 N 8.78 4.38 0.00 2.83 2.77 0.00 0.00 7.09 6.91 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 0.00 105 I 7.69 3.47 1.85 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.19 0.77 0.00 0.00 106 A 7.84 3.91 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 0.00 107 M 8.07 3.92 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 108 K 8.19 3.64 0.00 1.63 1.91 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.40 7.81 109 K 8.13 3.91 0.00 1.93 1.80 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.52 7.81 110 R 8.10 3.88 0.00 2.07 2.01 0.00 3.10 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 1.66 0.00 111 L 8.23 3.96 0.00 1.82 1.72 1.03 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 0.00 112 A 7.53 4.02 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.46 4.46 0.00 2.74 2.87 0.00 0.00 6.88 7.76 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 0.00 114 L 8.32 4.49 0.00 1.66 1.66 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.69 4.31 0.00 1.97 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 0.00 2.21 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.