NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4504 8.4145 124.0552 55.3511 32.4799 174.1256 4 I 3.9619 9.2650 125.4443 59.1665 37.1048 175.6212 5 R 4.5126 8.7272 130.9698 56.0477 30.6747 172.6982 6 I 4.5336 8.0318 128.7325 58.3940 36.7536 171.6675 7 K 4.6284 8.6368 134.9799 54.0456 33.4424 174.5744 8 L 5.2704 8.5198 129.8244 52.9453 44.3106 173.2837 9 R 5.2087 8.6516 121.4890 55.2558 34.3532 173.5134 10 G 4.4091 9.0595 109.8479 46.9250 0.0000 174.2188 *11 F 5.1719 8.3405 119.6667 57.1207 38.8822 174.1781 12 D 4.8559 7.9122 118.1573 53.3213 43.7414 181.2136 *13 H 4.5200 8.9731 122.4506 57.0336 28.5531 176.8366 14 K 3.9470 8.2450 122.5145 57.3649 31.4997 179.6373 15 T 4.7178 7.9064 110.5555 61.7525 69.4705 180.1288 16 L 4.6722 8.5023 123.7062 56.4166 43.9767 181.8435 17 D 4.4686 8.2903 120.1574 58.8629 39.5896 180.9031 18 A 4.2635 8.4721 123.9070 55.7578 18.5795 180.9407 19 S 3.9228 7.5327 115.1545 62.7732 62.9567 178.7621 20 A 4.3028 9.0177 127.5519 55.7846 18.2687 180.1179 21 Q 3.9844 8.4974 122.1511 61.2711 27.9932 182.0924 22 K 4.1783 8.3661 127.8418 60.6184 31.5521 181.5676 23 I 3.9896 7.3624 121.5075 66.2569 35.4369 180.1828 24 V 3.9873 8.5339 123.1904 65.1345 31.0685 181.8075 25 E 3.6549 8.2124 119.0713 61.4089 29.9027 180.9238 26 A 4.4640 8.1485 117.4724 53.8123 18.8043 178.2256 27 A 4.6198 8.9681 122.3287 53.2033 20.0027 179.6463 28 R 4.3609 7.4032 115.2844 57.3302 28.7238 182.3444 29 R 4.7552 8.3628 117.2964 57.1883 30.7872 178.7512 30 S 4.7526 7.4506 116.9652 60.0235 70.0800 181.8526 31 G 3.9022 7.6630 114.1828 44.7339 0.0000 172.2029 32 A 4.1870 7.8567 125.1025 52.5969 18.9824 179.1899 33 Q 4.1238 8.5821 117.9423 56.0236 28.2052 175.1756 34 V 3.7004 7.5801 119.1512 61.9664 31.6167 177.9818 35 S 4.5365 9.5362 115.3150 58.3327 61.8174 175.4408 36 G 3.7942 7.6116 115.8556 45.8335 0.0000 173.0797 37 P 4.5728 0.0000 0.0000 62.7315 30.6866 176.2019 38 I 4.1017 8.2789 128.4149 60.0976 37.3864 171.5767 39 P 4.4281 0.0000 0.0000 62.8900 30.6132 178.7050 40 L 4.0118 9.5365 115.2018 54.9324 41.5098 175.5645 41 P 4.4242 0.0000 0.0000 62.8104 31.2403 173.8395 42 T 4.7967 8.3196 115.3982 60.6976 70.8609 176.1189 43 R 4.3318 8.4032 128.5249 55.6868 30.2101 174.1887 44 V 4.0986 8.3722 127.9147 60.5193 32.6768 174.5635 45 R 4.3905 8.5907 131.1965 55.4528 29.3890 172.4005 46 R 4.8349 8.4473 128.0548 56.1792 30.7616 174.6318 *47 F 4.8605 9.8023 126.7032 55.5761 42.0355 172.6921 48 T 4.7320 8.7727 119.8047 59.3888 71.4682 171.8240 49 V 4.4963 8.4997 127.5302 58.8691 35.6014 172.6194 50 I 3.9462 8.8664 125.9677 59.8846 35.1603 172.5447 51 R 3.9591 8.0235 122.1378 58.2421 29.6800 178.1095 52 G 3.9092 7.8605 110.8723 45.0734 0.0000 171.4390 53 P 4.5699 0.0000 0.0000 61.9137 32.1192 170.6494 *54 F 3.5288 8.4403 126.2607 58.8628 38.2586 177.8207 55 K 3.4766 9.4659 125.8725 56.8040 32.0549 170.9485 *56 H 4.0360 8.8084 109.7586 57.8431 24.7402 172.2304 57 K 4.1178 8.0678 127.6377 58.9299 32.0933 181.5463 58 D 4.4552 8.2468 115.6412 54.4862 39.1010 179.1694 59 S 4.2947 7.7499 118.2322 56.3302 63.3043 176.4993 60 R 3.9867 8.5125 125.9648 56.3753 29.8879 178.3751 61 E 4.9038 9.0188 119.6422 55.2048 33.6873 175.9293 *62 H 4.7195 9.0464 124.7326 55.5035 29.4567 173.6023 *63 F 4.5257 8.2640 117.4156 57.9311 42.7027 174.7596 64 E 5.1690 9.1713 124.1369 54.5264 33.7443 173.4003 65 L 4.7027 8.8072 124.3397 54.2219 43.5126 176.3119 66 R 4.5236 8.4545 127.9334 56.4115 31.6025 174.9996 67 T 4.6556 8.4593 121.1409 60.1812 69.6493 172.0786 *68 H 4.8049 9.7870 130.8111 54.5356 29.5650 172.1811 69 N 5.6839 8.6606 121.5334 52.0046 41.9859 173.3237 70 R 5.1067 8.6588 119.8191 58.3129 33.9473 176.8446 71 L 4.1159 8.2747 116.2020 57.4673 45.5639 176.9496 72 V 3.3770 9.3318 116.6585 59.3576 29.9726 173.5744 73 D 4.5335 8.7808 130.0791 54.1233 37.0106 175.3703 74 I 4.5626 8.7418 126.0899 58.3223 35.4587 175.3970 75 I 4.2211 8.3269 126.7366 59.4239 36.5037 172.6066 76 N 4.2474 8.5484 112.5855 54.3790 33.6590 173.9481 77 P 4.5176 0.0000 0.0000 62.5738 31.9737 177.8213 78 N 4.5796 8.6908 118.0227 53.3847 38.4817 181.1688 79 R 3.1327 7.8825 121.3603 57.3449 31.6142 177.3864 80 K 3.9538 8.0196 129.1867 57.9428 32.3046 181.2643 81 T 4.0369 8.6139 112.8858 65.3580 68.5514 182.6497 82 I 4.0252 7.6023 119.4667 61.2912 36.2894 179.5482 83 E 4.0323 8.6799 121.0641 58.9132 27.6680 184.2131 84 Q 4.0761 9.3147 120.1068 59.1997 29.0973 182.5552 85 L 4.2849 8.0508 119.2565 57.9288 40.9278 181.0474 86 M 4.1155 8.0913 118.3128 58.1994 31.3434 181.9912 87 T 4.5940 7.3202 120.5238 59.2809 70.0293 177.1449 88 L 4.4728 7.8765 133.0482 53.3871 42.6573 173.5044 89 D 5.1162 8.2798 120.5370 53.0256 42.9788 179.2582 90 L 4.6666 8.1975 115.4862 55.6726 44.1660 175.0032 91 P 4.7130 0.0000 0.0000 63.3520 31.5480 179.9560 92 T 4.4409 7.8886 107.3066 63.3399 71.5802 177.4722 93 G 3.9952 7.7478 113.1422 46.0631 0.0000 173.9943 94 V 4.6991 7.5109 118.5082 59.9899 35.9056 178.3398 95 E 4.7391 9.2532 126.0594 54.6790 32.0387 173.0096 96 I 5.0640 8.4974 126.0726 58.4595 39.0001 172.9175 97 E 4.6399 9.0570 126.4990 54.6899 33.3075 172.4964 98 I 4.5838 8.5887 127.6059 58.9648 37.1656 173.2777 99 K 4.4996 9.3085 131.8375 53.1320 34.2625 176.0611 100 T 4.0504 8.3596 117.3694 60.4725 68.3644 173.0314 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 3 K 8.41 4.45 0.00 1.56 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 4 I 9.27 3.96 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 1.09 0.47 0.91 0.00 0.00 5 R 8.73 4.51 0.00 1.52 1.87 0.00 3.19 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 6 I 8.03 4.53 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 1.09 1.22 0.91 0.00 0.00 7 K 8.64 4.63 0.00 1.40 1.72 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.33 1.26 7.81 8 L 8.52 5.27 0.00 1.25 1.52 0.92 0.72 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 9 R 8.65 5.21 0.00 1.44 1.73 0.00 3.27 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 10 G 9.06 4.41 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 0.00 *11 F 8.34 5.17 0.00 2.11 2.18 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 12 D 7.91 4.86 0.00 2.62 2.39 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 *13 H 8.97 4.52 0.00 2.83 3.08 0.00 7.17 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.25 3.95 0.00 1.77 1.77 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.02 7.81 15 T 7.91 4.72 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 16 L 8.50 4.67 0.00 1.47 1.56 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.29 4.47 0.00 2.67 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 18 A 8.47 4.26 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 19 S 7.53 3.92 0.00 3.76 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 20 A 9.02 4.30 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 21 Q 8.50 3.98 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 22 K 8.37 4.18 0.00 1.76 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 23 I 7.36 3.99 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 1.38 1.10 0.91 0.00 0.00 24 V 8.53 3.99 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 0.71 0.00 0.00 0.93 0.00 0.00 25 E 8.21 3.65 0.00 1.97 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 2.25 2.23 0.00 26 A 8.15 4.46 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 27 A 8.97 4.62 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 28 R 7.40 4.36 0.00 1.89 1.82 0.00 3.22 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 29 R 8.36 4.76 0.00 1.71 1.73 0.00 3.27 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 30 S 7.45 4.75 0.00 3.57 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 31 G 7.66 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 32 A 7.86 4.19 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 33 Q 8.58 4.12 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 5.95 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 34 V 7.58 3.70 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 0.59 0.00 0.00 0.93 0.00 0.00 35 S 9.54 4.54 0.00 3.50 3.75 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 36 G 7.61 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.57 0.00 1.87 1.90 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 1.93 1.59 0.00 38 I 8.28 4.10 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 1.20 0.58 0.91 0.00 0.00 39 P 0.00 4.43 0.00 1.85 1.72 0.00 3.68 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 1.94 1.60 0.00 40 L 9.54 4.01 0.00 1.72 1.91 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.42 0.00 2.08 1.89 0.00 3.68 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 1.95 1.61 0.00 42 T 8.32 4.80 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 43 R 8.40 4.33 0.00 1.54 1.88 0.00 3.22 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 44 V 8.37 4.10 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 0.85 0.00 0.00 0.93 0.00 0.00 45 R 8.59 4.39 0.00 1.45 1.88 0.00 3.23 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 46 R 8.45 4.83 0.00 1.59 1.74 0.00 3.17 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 *47 F 9.80 4.86 0.00 1.85 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 0.00 0.00 0.00 0.00 48 T 8.77 4.73 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 49 V 8.50 4.50 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 0.66 0.00 0.00 0.93 0.00 0.00 50 I 8.87 3.95 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 1.27 1.10 0.91 0.00 0.00 51 R 8.02 3.96 0.00 1.82 1.71 0.00 3.23 0.00 0.00 3.23 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 52 G 7.86 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 53 P 0.00 4.57 0.00 2.10 1.83 0.00 3.89 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 1.89 1.57 0.00 *54 F 8.44 3.53 0.00 2.46 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 0.00 0.00 0.00 55 K 9.47 3.48 0.00 1.84 1.85 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 0.99 7.81 *56 H 8.81 4.04 0.00 3.09 3.05 0.00 7.18 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.07 4.12 0.00 1.67 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.01 7.81 58 D 8.25 4.46 0.00 2.69 2.58 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 59 S 7.75 4.29 0.00 3.63 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 60 R 8.51 3.99 0.00 1.97 1.80 0.00 3.17 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 61 E 9.02 4.90 0.00 1.54 1.78 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 2.12 2.10 0.00 *62 H 9.05 4.72 0.00 2.69 2.88 0.00 7.21 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 F 8.26 4.53 0.00 1.87 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 0.00 0.00 0.00 64 E 9.17 5.17 0.00 1.70 1.70 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 2.10 1.84 0.00 65 L 8.81 4.70 0.00 1.28 1.53 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.45 4.52 0.00 1.49 1.83 0.00 3.20 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.20 0.00 67 T 8.46 4.66 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 *68 H 9.79 4.80 0.00 2.52 2.96 0.00 7.11 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.66 5.68 0.00 2.44 2.56 0.00 0.00 6.40 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 70 R 8.66 5.11 0.00 1.46 1.78 0.00 3.18 0.00 0.00 3.30 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.30 0.00 71 L 8.27 4.12 0.00 1.26 1.60 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 V 9.33 3.38 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 0.82 0.00 0.00 0.93 0.00 0.00 73 D 8.78 4.53 0.00 2.79 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 74 I 8.74 4.56 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 1.16 0.59 0.91 0.00 0.00 75 I 8.33 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 1.27 0.55 0.91 0.00 0.00 76 N 8.55 4.25 0.00 2.81 2.84 0.00 0.00 6.59 7.75 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 77 P 0.00 4.52 0.00 2.08 1.86 0.00 3.70 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 1.94 1.58 0.00 78 N 8.69 4.58 0.00 2.58 2.69 0.00 0.00 6.91 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 79 R 7.88 3.13 0.00 1.81 2.22 0.00 3.24 0.00 0.00 3.37 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.19 0.00 80 K 8.02 3.95 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.03 7.81 81 T 8.61 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 1.21 0.00 0.00 82 I 7.60 4.03 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 1.16 1.10 0.91 0.00 0.00 83 E 8.68 4.03 0.00 1.90 1.73 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 2.24 2.12 0.00 84 Q 9.31 4.08 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.86 0.00 0.00 0.00 0.00 0.00 2.37 1.95 0.00 85 L 8.05 4.28 0.00 1.66 1.62 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.09 4.12 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.37 0.00 87 T 7.32 4.59 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 88 L 7.88 4.47 0.00 1.59 1.48 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.28 5.12 0.00 2.66 2.45 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 0.00 90 L 8.20 4.67 0.00 1.60 1.50 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.71 0.00 2.08 1.85 0.00 3.68 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 1.91 1.57 0.00 92 T 7.89 4.44 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 93 G 7.75 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 0.00 0.00 0.00 94 V 7.51 4.70 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 0.76 0.00 0.00 0.93 0.00 0.00 95 E 9.25 4.74 0.00 1.63 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 2.16 2.11 0.00 96 I 8.50 5.06 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 1.20 1.25 0.91 0.00 0.00 97 E 9.06 4.64 0.00 1.63 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 2.13 2.10 0.00 98 I 8.59 4.58 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 1.20 1.16 0.91 0.00 0.00 99 K 9.31 4.50 0.00 1.34 1.67 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.24 7.81 100 T 8.36 4.05 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 * Residues marked with a * may have inaccurate shift predictions.