NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3193 8.1693 120.6293 54.1817 43.6057 176.5775 2 S 4.3085 7.8408 113.7930 57.4364 63.9626 171.9857 3 I 4.5762 8.6750 122.8508 58.0811 41.3832 175.5809 4 P 4.3649 0.0000 0.0000 62.7849 33.0526 176.9316 5 E 3.9724 8.9895 121.5773 60.2498 29.2525 179.8239 6 D 4.4054 8.0373 116.5019 57.2335 41.2971 178.0847 7 Y 4.0303 8.0272 116.9595 60.9526 38.0368 177.6199 8 Q 3.9792 8.4426 120.5597 59.5843 28.8740 178.8387 9 A 4.0662 8.0170 119.8093 54.5702 18.7502 178.8116 10 R 4.3573 7.8414 114.7972 55.2658 30.5214 175.6653 11 L 4.7943 7.4212 122.1954 54.1491 43.0373 175.6770 12 Q 4.8359 8.9412 125.3823 53.1602 31.3711 175.0529 13 P 4.4673 0.0000 0.0000 65.0504 31.6082 176.2139 14 N 5.0099 7.7780 113.6096 50.5983 41.8641 173.7532 15 R 3.3046 7.6622 120.6262 55.9638 30.4405 176.2455 16 V 4.2678 7.6944 118.0751 58.6462 34.4672 174.6477 17 E 3.9675 8.4306 121.6376 57.9606 29.5348 176.8971 18 G 3.8359 8.7206 113.3444 45.7028 0.0000 172.9303 19 S 4.9461 7.2718 113.3410 56.9188 65.4338 173.1989 20 Y 4.9191 8.3500 117.1066 55.2720 42.3049 173.3012 21 P 4.4147 0.0000 0.0000 62.8057 33.0745 174.5246 22 L 4.9604 8.5521 124.7852 53.5346 44.1535 175.4869 23 V 4.9194 8.8205 119.4081 59.5849 35.5766 174.5226 24 R 4.7528 8.6512 122.8802 54.4102 34.1927 173.9431 *26 E 4.6684 8.4099 118.9710 56.2071 31.2723 175.0399 27 F 5.1379 9.5304 123.1741 55.9746 42.1317 175.0939 28 T 5.2068 8.8555 112.5925 59.7533 71.8547 174.5734 29 G 3.7112 8.6309 108.6667 47.3811 0.0000 174.5184 30 A 4.1751 7.7819 122.4478 54.3748 18.8734 178.4030 31 T 4.2374 7.6343 113.0908 63.1272 69.0276 174.6898 32 V 3.6157 8.3037 126.1434 63.1650 31.9381 176.2382 33 D 4.6431 8.5338 126.3275 53.4786 39.5889 174.6411 34 A 4.7262 7.8045 125.6213 49.9661 22.5420 175.4471 35 P 4.6878 0.0000 0.0000 61.9086 29.9277 178.0979 36 L 4.4652 7.8927 126.5863 56.0301 41.7281 179.6865 *38 S 4.4271 8.2729 116.3194 58.8911 65.0362 176.3953 39 Q 3.9860 8.3119 119.3294 59.0746 28.4948 179.1017 40 I 4.0837 8.1096 113.9438 63.8790 37.5733 178.2814 41 S 4.9632 8.0840 118.0182 60.9282 62.3778 176.5911 42 R 3.9585 7.8894 120.3777 59.0008 29.9617 178.9464 43 K 3.6846 8.1276 118.3451 58.5573 32.1157 176.8481 44 Y 4.5611 7.2535 113.0700 56.5413 39.2263 174.7570 45 N 4.4317 7.3773 116.4870 53.5624 38.0647 173.8275 46 I 4.6545 7.4620 117.4708 60.0451 40.1884 175.9189 47 D 4.8333 9.0207 127.0249 52.9571 42.2552 176.1821 48 V 4.1884 8.4773 125.3127 62.1430 32.0699 175.6188 49 S 4.6552 9.3212 125.7562 56.8826 63.2057 172.7706 50 I 4.2553 8.2412 128.7909 61.1988 37.1787 175.8542 51 L 4.4314 8.9440 128.2332 56.6794 42.4515 176.7902 52 S 4.6738 7.6562 109.4934 57.6940 66.1266 173.2189 53 S 4.6283 8.2341 113.1881 57.2761 65.4143 173.5803 54 D 4.6600 8.3306 124.7372 52.0487 41.1386 172.3425 55 L 5.0581 7.7730 120.9147 52.3680 44.3952 175.0173 56 D 4.7457 8.4590 121.9092 52.4659 45.5383 173.4345 57 Y 5.1212 8.2029 121.8544 55.8607 42.2089 173.9184 58 A 4.6754 9.0944 128.3666 52.1281 22.5631 175.9720 59 G 3.9056 9.6567 108.9889 46.7462 0.0000 174.7849 60 G 4.0287 8.5942 105.3967 43.8762 0.0000 173.9943 61 V 4.2856 6.9143 118.9380 60.6015 34.8240 174.1040 62 K 5.1560 8.7418 129.1157 55.4083 33.4022 175.3434 63 F 5.1696 8.8878 121.0779 55.6487 41.6045 172.5523 64 G 4.5273 8.7672 107.3154 45.4432 0.0000 173.1375 *67 V 4.4069 8.2242 122.7649 62.8265 33.0355 174.8296 68 A 5.0705 8.7323 127.8653 50.5217 23.3018 174.2164 69 E 4.6676 9.1574 122.1620 55.0327 31.5208 174.9496 70 L 5.0522 8.4173 127.3093 53.3112 43.2967 175.9327 71 F 4.3991 9.0758 124.8147 56.5364 40.2985 175.9581 72 G 4.3480 8.2756 111.9518 44.9867 0.0000 172.6377 73 N 4.7359 8.1932 117.3239 52.5770 40.7774 175.6234 74 E 4.0710 8.5834 121.9126 59.6199 29.8391 178.5822 75 Q 3.9793 8.0597 119.1274 59.3459 29.1595 177.9550 76 D 4.4361 8.0524 119.6565 57.3403 41.0148 178.2993 77 D 4.3808 8.4692 120.0244 56.5298 39.4311 178.7946 78 S 4.0631 8.1852 116.4170 61.3154 62.7262 176.5029 79 A 3.8456 7.8755 123.1481 54.8998 17.9910 179.6219 80 A 3.2283 7.6198 119.2816 54.9611 18.4044 179.8975 81 I 3.6330 7.8043 118.4604 64.6903 37.1597 178.5945 82 E 3.9447 8.2005 119.3646 59.2528 29.3499 178.7060 83 Y 4.0725 8.2047 119.9295 60.7229 38.9212 178.0490 84 L 3.9313 8.3852 120.2015 58.0854 41.7136 179.8042 85 R 4.1770 8.0160 119.1104 58.7595 29.7787 178.7898 86 E 3.9001 8.1285 117.9633 58.6534 29.6988 177.5133 87 N 4.6162 7.5665 114.8666 52.2449 38.5415 174.8970 88 N 4.3259 7.9135 116.3331 54.3052 36.5779 174.1535 89 V 3.8696 7.3903 118.1387 61.6395 33.0671 174.8514 90 K 4.1251 8.2206 129.9432 56.2504 32.7945 176.0513 91 V 4.4490 8.2883 126.7734 61.1762 34.0255 174.0603 92 E 4.5081 9.1068 128.4588 54.5974 31.5311 175.6173 93 V 3.9913 8.3305 125.6386 62.1801 30.9597 175.6233 94 L 4.0371 8.9689 130.2155 55.5270 42.2997 178.1096 95 G 3.7715 6.4279 104.1711 45.6707 0.0000 169.5246 96 Y 4.9756 8.2731 116.8174 56.1333 42.0413 175.0165 97 V 4.6571 9.0409 124.5947 61.4622 33.3434 175.4669 98 L 4.4217 8.3776 129.4149 55.1731 41.6045 175.8634 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 L 8.17 4.32 0.00 1.65 1.77 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.84 4.31 0.00 4.06 3.86 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 3 I 8.67 4.58 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.94 0.00 0.00 4 P 0.00 4.36 0.00 2.38 2.09 0.00 3.59 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 2.20 0.00 5 E 8.99 3.97 0.00 2.04 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 2.43 2.47 0.00 6 D 8.04 4.41 0.00 2.59 2.65 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 0.00 0.00 0.00 0.00 7 Y 8.03 4.03 0.00 3.16 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 8 Q 8.44 3.98 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 9 A 8.02 4.07 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 10 R 7.84 4.36 0.00 1.98 2.08 0.00 2.98 0.00 0.00 3.01 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 11 L 7.42 4.79 0.00 1.86 1.75 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.94 4.84 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.57 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 13 P 0.00 4.47 0.00 2.21 2.22 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 14 N 7.78 5.01 0.00 2.63 2.61 0.00 0.00 6.85 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 15 R 7.66 3.30 0.00 0.67 1.33 0.00 2.97 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.17 0.00 16 V 7.69 4.27 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 0.76 0.00 0.00 0.88 0.00 0.00 17 E 8.43 3.97 0.00 1.85 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 2.35 0.00 18 G 8.72 3.84 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 0.00 0.00 0.00 19 S 7.27 4.95 0.00 4.04 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 20 Y 8.35 4.92 0.00 2.75 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 21 P 0.00 4.41 0.00 1.98 1.98 0.00 3.97 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 22 L 8.55 4.96 0.00 1.71 1.45 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.82 4.92 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 0.62 0.00 0.00 0.95 0.00 0.00 24 R 8.65 4.75 0.00 1.80 1.72 0.00 3.37 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 *26 E 8.41 4.67 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 2.32 2.34 0.00 27 F 9.53 5.14 0.00 2.93 3.02 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 0.00 0.00 0.00 28 T 8.86 5.21 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 1.24 0.00 0.00 29 G 8.63 3.71 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 0.00 0.00 0.00 30 A 7.78 4.18 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 31 T 7.63 4.24 4.45 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 0.00 0.00 0.00 1.31 0.00 0.00 32 V 8.30 3.62 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 0.73 0.00 0.00 0.95 0.00 0.00 33 D 8.53 4.64 0.00 2.72 2.64 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 34 A 7.80 4.73 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 35 P 0.00 4.69 0.00 2.27 2.25 0.00 3.77 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 2.12 2.01 0.00 36 L 7.89 4.47 0.00 1.97 1.93 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *38 S 8.27 4.43 0.00 4.10 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 39 Q 8.31 3.99 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 40 I 8.11 4.08 2.08 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 1.82 0.71 1.14 0.00 0.00 41 S 8.08 4.96 0.00 4.07 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 42 R 7.89 3.96 0.00 1.82 1.88 0.00 3.10 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 43 K 8.13 3.68 0.00 1.31 1.16 0.00 1.25 0.00 0.00 0.67 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 1.00 7.81 44 Y 7.25 4.56 0.00 3.16 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 45 N 7.38 4.43 0.00 2.80 2.88 0.00 0.00 7.09 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 46 I 7.46 4.65 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.82 1.00 0.00 0.00 47 D 9.02 4.83 0.00 2.67 2.63 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 48 V 8.48 4.19 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 0.80 0.00 0.00 1.00 0.00 0.00 49 S 9.32 4.66 0.00 4.12 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.26 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 1.36 0.68 0.90 0.00 0.00 51 L 8.94 4.43 0.00 1.41 1.48 -0.34 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.66 4.67 0.00 3.79 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 53 S 8.23 4.63 0.00 3.76 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 54 D 8.33 4.66 0.00 2.63 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.77 5.06 0.00 1.38 1.33 0.53 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.46 4.75 0.00 2.16 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.20 5.12 0.00 3.06 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 58 A 9.09 4.68 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 59 G 9.66 3.91 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 0.00 0.00 0.00 60 G 8.59 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 61 V 6.91 4.29 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 0.94 0.00 0.00 0.85 0.00 0.00 62 K 8.74 5.16 0.00 2.04 1.79 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.55 7.81 63 F 8.89 5.17 0.00 3.20 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 64 G 8.77 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 4.41 2.01 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 0.95 0.00 0.00 0.90 0.00 0.00 68 A 8.73 5.07 1.25 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 0.00 0.00 0.00 69 E 9.16 4.67 0.00 2.04 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 1.59 2.13 0.00 70 L 8.42 5.05 0.00 1.56 1.63 0.93 0.73 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 71 F 9.08 4.40 0.00 2.92 2.73 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 72 G 8.28 4.35 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 0.00 73 N 8.19 4.74 0.00 2.81 2.80 0.00 0.00 6.50 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 74 E 8.58 4.07 0.00 2.01 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 2.37 2.36 0.00 75 Q 8.06 3.98 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 76 D 8.05 4.44 0.00 2.81 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 77 D 8.47 4.38 0.00 2.97 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 78 S 8.19 4.06 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 3.85 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 80 A 7.62 3.23 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 81 I 7.80 3.63 1.96 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 1.49 0.61 0.88 0.00 0.00 82 E 8.20 3.94 0.00 1.96 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 2.48 2.44 0.00 83 Y 8.20 4.07 0.00 3.16 3.13 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 0.00 0.00 0.00 0.00 84 L 8.39 3.93 0.00 1.84 1.65 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.02 4.18 0.00 1.94 1.93 0.00 3.25 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 86 E 8.13 3.90 0.00 1.98 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 2.21 2.31 0.00 87 N 7.57 4.62 0.00 2.75 2.66 0.00 0.00 6.92 6.20 0.00 0.00 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 N 7.91 4.33 0.00 2.91 2.88 0.00 0.00 6.79 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 89 V 7.39 3.87 1.98 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 0.42 0.00 0.00 0.59 0.00 0.00 90 K 8.22 4.13 0.00 1.77 1.61 0.00 1.91 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.33 7.81 91 V 8.29 4.45 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 0.83 0.00 0.00 0.84 0.00 0.00 92 E 9.11 4.51 0.00 1.87 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 2.21 2.19 0.00 93 V 8.33 3.99 2.01 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 0.46 0.00 0.00 0.87 0.00 0.00 94 L 8.97 4.04 0.00 1.55 1.66 0.87 0.71 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 95 G 6.43 3.77 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 0.00 0.00 0.00 96 Y 8.27 4.98 0.00 2.96 2.83 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 97 V 9.04 4.66 2.41 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 1.01 0.00 0.00 1.08 0.00 0.00 98 L 8.38 4.42 0.00 1.72 1.53 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.