NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3632 0.0000 0.0000 62.7530 32.6858 174.6244 2 Q 4.3333 8.3851 119.2016 53.8469 30.2948 172.9511 3 I 4.4327 8.0131 125.6715 59.5733 40.2412 175.2122 4 T 4.2527 8.4089 115.7560 61.3046 69.8025 174.1489 5 L 4.6977 7.6843 118.5340 54.3171 42.3514 178.0417 6 W 4.4976 8.2941 121.6556 58.8577 29.0509 175.9496 7 K 4.7634 7.7270 114.4009 54.0461 35.1023 175.6252 8 R 3.9794 8.4779 118.2400 56.3095 30.4965 176.4753 9 P 4.6544 0.0000 0.0000 62.3125 29.8795 173.4721 10 L 4.9956 7.8461 125.6842 54.6082 43.3742 176.1510 11 V 4.6245 8.7544 116.0041 59.6871 36.5686 174.5718 12 T 4.8505 8.4340 118.6043 63.1943 69.2888 174.5317 13 I 4.9013 9.1301 118.6575 59.1812 41.7681 173.9562 14 R 5.0517 9.0027 123.2521 54.6274 32.9980 174.1900 15 I 4.4672 9.0706 126.1245 60.3069 41.9186 174.8702 16 G 3.8520 9.5468 116.7195 46.5485 0.0000 174.0832 17 G 3.9042 8.4436 104.7234 45.5151 0.0000 173.9102 18 Q 4.6733 8.1112 118.5863 53.5821 31.4908 174.5114 19 L 5.0014 8.2748 121.2601 54.1127 43.0024 176.1998 20 K 4.7199 9.0714 121.5366 55.0654 37.1453 174.8518 21 E 5.1557 8.7028 120.9570 55.2556 31.3212 175.4033 22 A 4.8298 8.8543 123.6931 50.4208 23.6160 174.5765 23 L 4.8121 8.8360 122.8004 53.6666 43.8351 175.6978 24 L 4.4329 8.6612 127.4720 54.7760 42.4251 176.4905 25 N 4.9361 9.2143 124.4371 51.4507 40.0387 174.9168 26 T 3.9602 8.7274 116.2518 63.6058 69.0997 175.5633 27 G 3.8511 8.0254 109.5730 45.2370 0.0000 172.5965 28 A 4.6661 7.6744 122.5206 49.9592 20.6148 177.9160 29 D 4.4123 8.9496 122.9682 56.6511 42.3437 175.7982 30 D 5.1291 8.0374 116.2753 52.6993 45.6930 174.7122 31 T 4.8874 7.9193 115.2172 62.0601 70.9588 174.2800 32 V 4.8983 8.8622 125.8751 61.2001 34.6750 174.1189 33 I 4.9272 8.8365 128.6722 58.9663 40.2764 174.9932 34 E 4.4131 9.9143 127.2179 55.5043 30.7352 175.6007 35 E 3.6340 8.5825 124.0236 56.1869 30.8536 176.9355 *37 N 4.5228 8.2809 121.8076 53.4220 39.3533 173.5738 38 L 4.0151 7.3332 119.6894 53.6686 42.8052 175.9153 39 P 4.6649 0.0000 0.0000 62.8826 33.7796 174.6025 40 G 4.0708 9.5174 111.0249 44.6677 0.0000 176.2616 *42 W 4.7265 8.9276 113.9623 55.9237 29.9352 175.8365 43 K 4.7719 8.6595 119.7924 54.1473 35.7243 173.6962 44 P 4.9922 0.0000 0.0000 63.4936 32.1741 175.9888 45 K 4.3416 8.4916 122.5447 55.8060 36.2269 174.5116 *47 I 4.2942 8.4557 110.4686 60.9822 38.5995 174.6019 48 G 3.3690 7.7525 109.6413 43.4580 0.0000 172.0144 49 G 3.8192 7.5428 104.8212 45.5666 0.0000 172.6244 50 I 3.8305 8.4586 122.3366 63.2102 37.4214 176.2315 51 G 3.9589 8.2965 113.9780 44.1027 0.0000 172.3600 52 G 3.9755 7.1017 104.9960 44.3791 0.0000 172.8529 53 F 5.2066 8.8668 120.5872 55.5390 42.1447 174.3206 54 I 4.8090 8.2919 115.7046 58.9794 40.6049 174.6355 55 K 4.6190 8.6405 124.8853 56.1498 33.3049 176.0240 56 V 4.7188 8.9865 119.5140 59.7744 36.8246 174.2347 57 R 4.9112 8.6507 121.0211 54.7914 32.1167 175.3462 58 Q 4.9645 9.3396 126.0324 55.0347 30.9904 173.7342 59 Y 5.2174 9.3108 124.0425 56.4298 41.1733 174.5700 60 D 5.1596 8.9103 122.2585 52.6819 43.7284 175.7245 61 Q 3.3749 8.3964 116.6009 57.1180 26.5940 174.4150 62 I 4.3216 7.9754 118.6430 59.4955 38.9081 175.0891 63 P 4.9300 0.0000 0.0000 62.6597 32.1737 176.1780 64 V 4.6125 9.1295 123.6274 61.2501 35.5264 173.1128 65 E 5.0723 9.2338 128.6662 54.1070 32.0660 176.2123 66 I 4.5737 8.9178 128.4750 61.2773 38.0573 177.3377 *68 G 3.8698 8.1568 108.2476 45.1399 0.0000 172.9626 69 H 4.7667 8.2222 118.7843 53.9016 29.9616 174.3742 70 K 4.7163 8.5580 124.2620 56.3553 32.8497 176.1839 71 A 4.9125 9.3234 125.1950 50.6331 23.4707 174.8323 72 I 4.7632 8.7913 119.7118 60.3456 41.0940 174.8133 73 G 4.0277 8.3025 117.3590 46.2662 0.0000 171.3625 74 T 4.7585 8.6560 117.4892 63.4047 69.5062 174.6601 75 V 4.5139 8.8862 125.2879 61.0863 35.1446 173.9314 76 L 5.2674 9.1039 127.6119 53.1173 44.2901 175.4193 77 V 4.7894 8.6093 123.3439 61.3824 33.9177 174.8740 78 G 4.2936 8.3019 113.6445 45.3529 0.0000 171.1671 79 P 5.2578 0.0000 0.0000 61.2242 29.5181 175.0310 80 T 4.6085 7.8304 121.0442 60.1475 69.7497 172.8251 81 P 4.3997 0.0000 0.0000 64.8366 31.7191 177.0692 82 V 4.4485 7.4098 116.2319 60.6623 34.7048 174.2994 83 N 4.6978 8.7158 124.1442 53.5124 39.9136 173.8403 84 I 4.8844 9.1736 123.7379 59.6210 40.8064 174.4072 85 I 4.4093 9.0279 129.2066 60.1228 38.8285 175.9983 86 G 4.5584 8.5244 115.1788 43.7067 0.0000 174.3815 87 R 4.1467 8.9860 118.5784 58.7483 30.1843 179.2970 88 N 4.3796 7.7895 115.0093 55.1710 37.6588 176.3808 89 L 4.4453 7.7585 117.5991 56.0821 42.5515 178.5934 90 L 4.0605 8.0172 119.3715 57.8250 41.4896 179.5494 91 T 4.0398 7.9992 109.9286 64.7376 68.5162 176.7541 92 Q 4.1161 7.8159 119.9137 57.7849 28.8115 177.3515 93 I 4.4178 7.2385 110.6411 59.0506 38.1545 171.8037 94 G 3.6339 7.5189 118.2173 45.2874 0.0000 173.5103 *96 T 4.1140 8.0925 114.6282 60.9844 69.9025 173.3924 97 L 4.5469 8.2166 122.4074 53.9704 42.9324 176.2344 98 N 5.0677 8.4547 119.2015 51.6570 42.4518 174.4731 99 F 4.4810 8.2541 116.2773 57.4740 37.4410 173.8389 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 1 P 0.00 4.36 0.00 2.21 2.17 0.00 3.70 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 1.89 1.98 0.00 2 Q 8.39 4.33 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 3 I 8.01 4.43 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 1.48 0.80 0.92 0.00 0.00 4 T 8.41 4.25 4.12 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 0.00 0.00 1.28 0.00 0.00 5 L 7.68 4.70 0.00 1.39 1.55 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.29 4.50 0.00 3.25 3.11 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 7 K 7.73 4.76 0.00 1.86 1.84 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.46 7.81 8 R 8.48 3.98 0.00 1.83 1.93 0.00 3.21 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 9 P 0.00 4.65 0.00 2.11 2.20 0.00 3.67 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 2.16 1.98 0.00 10 L 7.85 5.00 0.00 1.55 1.64 0.92 0.93 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 11 V 8.75 4.62 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 0.73 0.00 0.00 0.96 0.00 0.00 12 T 8.43 4.85 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 1.26 0.00 0.00 13 I 9.13 4.90 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.88 0.91 0.00 0.00 14 R 9.00 5.05 0.00 1.81 1.77 0.00 3.09 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 15 I 9.07 4.47 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.19 0.87 0.00 0.00 16 G 9.55 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 3.90 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 0.00 0.00 0.00 18 Q 8.11 4.67 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 19 L 8.27 5.00 0.00 1.52 1.58 0.92 0.82 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 20 K 9.07 4.72 0.00 1.62 1.61 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.39 7.81 21 E 8.70 5.16 0.00 1.84 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 0.00 0.00 0.00 2.24 2.29 0.00 22 A 8.85 4.83 1.18 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 0.00 0.00 23 L 8.84 4.81 0.00 1.74 1.66 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.66 4.43 0.00 1.56 1.60 0.91 0.87 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 25 N 9.21 4.94 0.00 2.86 2.76 0.00 0.00 6.53 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 26 T 8.73 3.96 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 27 G 8.03 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.67 4.67 1.30 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 29 D 8.95 4.41 0.00 2.62 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 30 D 8.04 5.13 0.00 2.56 2.56 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 31 T 7.92 4.89 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 32 V 8.86 4.90 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 0.98 0.00 0.00 0.93 0.00 0.00 33 I 8.84 4.93 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.93 0.00 0.00 34 E 9.91 4.41 0.00 2.17 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 2.49 2.25 0.00 35 E 8.58 3.63 0.00 1.91 1.83 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 2.27 2.38 0.00 *37 N 8.28 4.52 0.00 2.74 2.78 0.00 0.00 7.08 7.78 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 38 L 7.33 4.02 0.00 0.55 1.01 0.31 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.66 0.00 2.09 2.03 0.00 3.62 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 2.03 2.09 0.00 40 G 9.52 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 *42 W 8.93 4.73 0.00 2.80 1.74 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 43 K 8.66 4.77 0.00 1.78 1.82 0.00 1.31 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.33 1.38 7.81 44 P 0.00 4.99 0.00 2.18 2.27 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 45 K 8.49 4.34 0.00 1.91 1.67 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 *47 I 8.46 4.29 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 1.39 0.67 0.96 0.00 0.00 48 G 7.75 3.37 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 49 G 7.54 3.82 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 0.00 0.00 0.00 50 I 8.46 3.83 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.89 0.00 0.00 51 G 8.30 3.96 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 0.00 0.00 0.00 52 G 7.10 3.98 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 0.00 0.00 0.00 53 F 8.87 5.21 0.00 2.98 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 54 I 8.29 4.81 1.89 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 1.12 0.69 0.93 0.00 0.00 55 K 8.64 4.62 0.00 1.83 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.62 7.81 56 V 8.99 4.72 2.16 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 0.87 0.00 0.00 1.02 0.00 0.00 57 R 8.65 4.91 0.00 1.46 1.00 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.08 0.00 58 Q 9.34 4.96 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 59 Y 9.31 5.22 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.91 5.16 0.00 2.60 2.61 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 0.00 0.00 0.00 0.00 61 Q 8.40 3.37 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 62 I 7.98 4.32 2.00 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 1.32 1.25 0.87 0.00 0.00 63 P 0.00 4.93 0.00 1.93 1.99 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 V 9.13 4.61 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 0.98 0.00 0.00 65 E 9.23 5.07 0.00 2.05 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 2.21 2.38 0.00 66 I 8.92 4.57 1.88 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 1.23 0.60 0.91 0.00 0.00 *68 G 8.16 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 0.00 0.00 0.00 69 H 8.22 4.77 0.00 3.36 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.56 4.72 0.00 1.65 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.50 7.81 71 A 9.32 4.91 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 0.00 0.00 0.00 0.00 0.00 72 I 8.79 4.76 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 1.18 0.91 0.92 0.00 0.00 73 G 8.30 4.03 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 0.00 74 T 8.66 4.76 4.28 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 1.33 0.00 0.00 75 V 8.89 4.51 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 1.05 0.00 0.00 0.93 0.00 0.00 76 L 9.10 5.27 0.00 1.61 1.58 0.95 0.65 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 77 V 8.61 4.79 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 0.99 0.00 0.00 0.86 0.00 0.00 78 G 8.30 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 0.00 0.00 0.00 0.00 79 P 0.00 5.26 0.00 2.08 2.08 0.00 3.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.79 0.00 80 T 7.83 4.61 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 1.26 0.00 0.00 81 P 0.00 4.40 0.00 2.07 2.09 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 82 V 7.41 4.45 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 0.78 0.00 0.00 0.92 0.00 0.00 83 N 8.72 4.70 0.00 2.86 2.71 0.00 0.00 6.91 7.34 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 84 I 9.17 4.88 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.03 0.96 0.00 0.00 85 I 9.03 4.41 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.04 0.91 0.00 0.00 86 G 8.52 4.56 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 0.00 0.00 0.00 87 R 8.99 4.15 0.00 1.86 2.00 0.00 3.14 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 88 N 7.79 4.38 0.00 2.83 3.10 0.00 0.00 6.91 7.56 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 89 L 7.76 4.45 0.00 1.70 1.74 0.93 0.69 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 90 L 8.02 4.06 0.00 1.70 1.71 0.89 0.37 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 T 8.00 4.04 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 1.23 0.00 0.00 92 Q 7.82 4.12 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 93 I 7.24 4.42 1.80 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 1.63 0.51 0.97 0.00 0.00 94 G 7.52 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 T 8.09 4.11 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 1.20 0.00 0.00 97 L 8.22 4.55 0.00 1.72 1.76 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.45 5.07 0.00 2.65 2.66 0.00 0.00 6.81 7.45 0.00 0.00 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 F 8.25 4.48 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.