NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 A 4.4070 8.2644 123.5985 51.3882 20.6666 176.2852 41 R 4.7750 7.4826 113.2858 54.8046 32.9128 171.8670 42 L 4.9851 8.9810 124.0285 52.6679 46.4874 175.2289 43 D 4.6177 8.7753 122.5417 53.8898 42.1801 177.2547 44 K 4.2566 9.0241 124.5639 60.1876 32.3469 179.4263 45 S 4.5051 8.2598 116.1880 60.6994 62.6227 176.0197 46 N 4.4702 8.0572 118.7550 54.9731 38.2160 176.0292 47 F 5.0608 8.0282 116.9413 57.1196 39.7642 175.4419 48 Q 4.6026 7.9469 117.9651 55.8320 29.1137 175.0444 49 Q 4.7027 7.7882 118.4227 53.4461 30.5557 173.9576 50 P 4.2791 0.0000 0.0000 65.3710 31.4186 177.9442 51 Y 3.9418 7.9588 117.9801 60.9070 38.7728 178.0628 52 I 3.3349 7.5707 118.8745 63.8814 38.0312 177.6815 53 T 3.4385 7.5628 116.7300 66.6014 68.2362 176.2567 54 N 4.2721 7.9722 118.2188 56.3370 38.5471 177.7057 55 R 3.7455 7.6386 119.4550 59.2948 30.0823 179.1642 56 T 3.6620 7.5769 115.4870 66.7575 68.3543 176.6015 57 F 4.5570 7.8256 119.5395 60.9791 38.8914 177.7340 58 M 3.8141 8.2489 118.7804 57.9005 31.6230 178.4660 59 L 3.7058 8.0994 120.6188 58.0720 42.2548 178.7933 60 A 4.0527 7.8699 120.5718 55.0132 18.3193 179.3493 61 K 3.7269 8.1871 118.3152 59.8032 32.0357 178.7763 62 E 3.8908 7.7426 116.9664 59.3112 29.6015 178.9977 63 A 3.4267 7.3744 120.9448 54.8552 18.3892 179.7457 64 S 4.0731 8.2643 113.1522 61.6732 62.5636 176.7798 65 L 4.0217 7.7259 121.4837 57.0593 41.4118 178.2389 66 A 4.6972 8.0980 118.4948 51.3370 19.2006 176.4795 67 D 4.6320 7.9003 118.8055 52.8998 40.8407 176.1189 68 N 4.7352 8.5696 123.1236 53.3346 39.0428 175.8257 69 N 4.6383 8.0964 118.8202 52.5966 37.4580 174.4833 70 T 4.2708 8.1201 112.4382 62.0409 69.6465 175.7762 71 D 4.5247 8.1282 121.9384 55.1758 41.4699 176.4574 72 V 4.2903 7.8046 118.3017 60.7459 33.4271 174.1119 73 R 4.7462 8.4890 127.2813 54.6507 31.8580 175.4470 74 L 4.1903 9.6873 126.0751 56.7488 42.1404 177.2075 75 I 4.3847 8.2768 119.8531 59.5033 39.0613 175.5093 76 G 4.0868 8.8049 112.7941 47.6904 0.0000 173.7308 77 E 3.7343 8.4702 122.1096 57.0474 29.1920 177.7272 78 K 3.9197 9.1203 131.6612 60.1763 32.2682 177.5968 79 L 3.7620 7.6459 119.5255 57.2635 42.1555 177.3501 80 F 4.6634 7.7373 114.2909 57.0219 39.3541 174.6858 81 H 4.4659 8.0516 122.3548 57.9821 29.5852 175.4337 82 G 3.9041 9.1570 115.1285 45.2008 0.0000 172.3908 83 V 4.5707 7.5313 119.4577 60.6084 33.4876 175.7115 84 S 4.4903 8.9486 121.6060 57.8980 63.9656 174.9488 85 M 3.9892 8.7670 121.5627 58.7214 31.7885 178.9263 86 S 4.2911 8.0047 111.1373 60.1046 63.8603 174.9974 87 E 4.4784 8.2451 120.1938 56.9104 29.6607 178.0971 88 R 4.1228 7.6739 119.5677 59.3694 30.1536 177.8842 89 C 4.3233 8.2599 117.8488 59.9447 37.9278 174.8888 90 Y 3.9650 8.0792 120.6480 60.4921 38.4569 177.4678 91 L 3.9084 8.1155 121.3905 58.4833 42.2252 178.9027 92 M 4.1893 8.3157 118.3621 57.5926 31.8096 178.6305 93 K 3.8661 7.9640 120.3151 59.6410 32.2784 178.8120 94 Q 3.8723 7.5887 117.7639 58.8686 28.5683 178.9716 95 V 3.6317 7.7901 119.2927 65.7714 31.4847 177.7931 96 L 3.9793 8.2670 120.4937 58.4168 41.9787 178.8180 97 N 4.3149 8.5643 116.8307 56.0090 38.3549 176.9696 98 F 4.1979 8.5216 122.5213 61.8258 39.4318 177.4121 99 T 3.4525 8.0644 114.9091 66.4426 68.1540 176.3808 100 L 3.9342 7.9804 121.0574 58.2393 41.5092 179.5971 101 E 4.0179 7.9311 116.4301 58.1220 29.6858 177.9280 102 E 4.5417 8.0737 115.5650 55.8086 30.9031 176.3915 103 V 4.1337 7.1411 115.4628 64.5376 33.3048 177.2196 104 L 4.0621 8.4089 118.5705 57.4507 41.6548 179.1641 105 F 4.1505 7.9721 120.8717 61.0283 39.2191 175.6013 106 P 4.3147 0.0000 0.0000 64.7454 31.3602 177.5547 107 Q 4.5311 7.4825 115.4779 55.5650 29.0084 177.6559 108 S 4.1854 7.4730 116.9986 60.7878 63.0754 175.1722 109 D 4.3928 7.7990 119.9676 56.2097 41.0246 176.8329 110 R 3.9079 7.5978 117.4866 55.6981 31.2823 175.4430 111 F 4.0905 7.7740 114.5005 58.8989 36.4168 175.7511 112 Q 4.5689 7.9450 117.5060 55.0191 29.4427 174.6754 113 P 4.5695 0.0000 0.0000 63.2123 32.2963 177.3621 114 Y 4.0346 7.3264 118.4687 61.6278 37.7850 177.4669 115 M 4.0940 8.2846 119.4207 58.9852 32.1161 178.2018 116 Q 4.1583 7.9117 115.4234 58.4053 27.5876 177.2676 117 E 4.3288 7.7638 120.3469 58.2179 30.0276 178.3515 118 V 3.9954 7.9250 118.1809 65.3999 31.7112 178.0798 119 V 3.5976 7.7959 118.0666 65.8280 31.4099 176.3665 120 P 4.3030 0.0000 0.0000 65.1600 31.1939 178.4989 121 F 4.2616 7.7581 119.1248 61.4875 39.3698 177.3264 122 L 3.5881 8.1020 118.3938 57.4420 41.2248 179.4269 123 A 3.9700 8.3521 121.3778 54.9853 18.2313 179.9052 124 R 3.8275 7.8894 116.5869 59.3470 29.9269 179.1538 125 L 3.8489 7.2842 117.4161 57.7774 41.9003 179.1526 126 S 4.2124 8.1071 112.9847 61.6165 62.1950 175.9696 127 N 4.3556 8.3092 119.2454 56.4640 38.0168 177.5811 128 R 3.9576 7.9790 118.6655 59.0092 30.2397 178.4745 129 L 4.4188 8.0241 116.4206 56.1274 43.0555 178.4647 130 S 3.7668 7.1616 114.4032 58.8146 59.7657 172.1850 *140 H 4.8565 8.2237 121.5569 55.0704 30.9896 176.5846 141 I 3.5968 7.4272 120.3648 64.4108 36.8721 178.0297 142 Q 3.9908 8.1350 118.1640 58.9440 28.3531 178.9861 143 R 3.8354 7.7795 119.0453 59.6340 30.1171 178.2621 144 N 4.2971 7.9339 115.7806 56.2298 38.4921 177.6796 145 V 3.4279 7.7323 119.7668 65.9117 31.5546 177.8835 146 Q 3.8052 8.1947 119.5094 58.7902 28.8345 178.1638 147 K 3.8609 7.7462 120.7337 59.2812 32.2560 178.4998 148 L 3.8753 7.4749 120.6793 58.0720 41.9651 179.0288 149 K 3.4825 7.7423 118.3265 59.4854 31.8717 178.9813 150 D 4.3498 8.3781 119.4463 57.6883 40.6979 179.1392 151 T 3.8997 7.9457 116.2169 66.4981 68.5527 177.0333 152 V 3.6367 7.9170 120.2281 65.8581 31.5473 177.9940 153 K 4.0664 8.2584 119.3293 59.4963 31.8856 178.5822 154 K 3.9244 8.2020 118.9647 59.5662 32.1669 178.1699 155 L 4.2090 7.8829 117.3278 56.9804 42.3273 178.8941 156 G 3.8572 8.3251 107.7516 45.3966 0.0000 173.9235 157 E 3.9304 8.8113 117.6787 59.5792 29.4857 179.8674 158 S 4.3126 8.2258 112.6283 60.9855 62.4058 176.2296 159 G 3.7095 8.3170 110.5735 47.0445 0.0000 175.7382 160 E 4.0362 8.0600 120.4292 59.2924 29.5618 179.1860 161 I 3.8109 7.8798 119.8477 64.3035 36.9730 178.1916 162 K 4.0838 8.4259 120.5876 58.9598 32.3104 178.2462 163 A 4.1873 8.1782 120.8194 55.3239 18.4311 179.7217 164 I 3.8059 7.9191 118.4983 64.3286 36.9589 178.7337 165 G 3.7037 8.1103 105.3147 46.4913 0.0000 174.4891 166 E 4.8556 7.5621 121.3913 55.6250 29.9777 177.8086 167 L 4.0991 7.8622 122.6641 57.5723 41.2651 179.0674 168 D 4.8332 8.1956 119.1792 56.6757 39.3882 178.5745 169 L 4.1615 7.8682 120.0445 57.2495 41.7198 179.0049 170 L 4.0732 8.3473 120.6184 58.1106 42.0393 178.8608 171 F 4.5021 8.8300 121.0145 61.8795 39.3620 177.1224 172 M 3.9341 8.4697 118.2010 58.1533 31.7117 178.9892 173 S 4.0825 8.2860 115.7290 61.2243 63.0198 176.2914 174 L 3.9770 8.1658 123.2370 58.1001 41.7444 179.0367 175 R 2.5100 7.7008 118.5038 59.1666 29.6862 178.2546 176 N 4.1484 7.8446 114.7406 56.1964 38.5528 176.9990 177 A 4.1132 7.9383 121.3064 54.3924 18.8072 178.0771 178 C 4.7108 7.9971 113.4716 57.5477 41.2681 174.2460 179 I 4.4221 7.1411 125.1720 60.9775 36.6732 175.6299 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 40 A 8.26 4.41 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 41 R 7.48 4.77 0.00 1.91 1.79 0.00 3.21 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.96 0.00 42 L 8.98 4.99 0.00 1.86 1.70 1.12 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.78 4.62 0.00 2.85 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 44 K 9.02 4.26 0.00 2.10 2.13 0.00 1.60 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.57 7.81 45 S 8.26 4.51 0.00 4.13 4.21 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 46 N 8.06 4.47 0.00 2.41 2.57 0.00 0.00 6.83 6.73 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 47 F 8.03 5.06 0.00 3.13 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 48 Q 7.95 4.60 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 49 Q 7.79 4.70 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 50 P 0.00 4.28 0.00 2.20 2.13 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 51 Y 7.96 3.94 0.00 3.05 2.93 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 52 I 7.57 3.33 1.55 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.14 0.26 0.00 0.00 53 T 7.56 3.44 4.13 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 0.90 0.00 0.00 54 N 7.97 4.27 0.00 2.84 2.76 0.00 0.00 7.09 7.20 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 55 R 7.64 3.75 0.00 1.51 1.87 0.00 3.15 0.00 0.00 2.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.25 0.00 56 T 7.58 3.66 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 0.91 0.00 0.00 57 F 7.83 4.56 0.00 3.12 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 58 M 8.25 3.81 0.00 1.11 1.84 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.38 0.00 59 L 8.10 3.71 0.00 1.69 1.77 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.87 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 3.73 0.00 1.83 1.83 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.42 7.81 62 E 7.74 3.89 0.00 1.97 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 2.29 2.61 0.00 63 A 7.37 3.43 0.68 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 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.26 4.07 0.00 3.99 4.19 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 65 L 7.73 4.02 0.00 1.88 1.80 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.10 4.70 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.90 4.63 0.00 2.78 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 68 N 8.57 4.74 0.00 2.76 2.84 0.00 0.00 7.06 8.00 0.00 0.00 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 8.10 4.64 0.00 2.71 2.88 0.00 0.00 7.13 7.74 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 70 T 8.12 4.27 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 71 D 8.13 4.52 0.00 2.86 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 72 V 7.80 4.29 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 0.82 0.00 0.00 0.94 0.00 0.00 73 R 8.49 4.75 0.00 1.79 1.79 0.00 3.29 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 74 L 9.69 4.19 0.00 1.84 1.73 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.28 4.38 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 1.02 0.00 0.00 76 G 8.80 4.09 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 0.00 0.00 0.00 77 E 8.47 3.73 0.00 2.19 1.17 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 2.34 2.32 0.00 78 K 9.12 3.92 0.00 1.82 1.80 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.51 7.81 79 L 7.65 3.76 0.00 1.45 1.03 0.71 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.74 4.66 0.00 3.18 3.06 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 0.00 0.00 0.00 81 H 8.05 4.47 0.00 3.21 3.27 0.00 5.79 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 82 G 9.16 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 83 V 7.53 4.57 2.35 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 1.03 0.00 0.00 0.99 0.00 0.00 84 S 8.95 4.49 0.00 4.08 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 85 M 8.77 3.99 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 86 S 8.00 4.29 0.00 3.99 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 87 E 8.25 4.48 0.00 2.24 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 2.29 2.37 0.00 88 R 7.67 4.12 0.00 2.00 2.09 0.00 3.02 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 89 C 8.26 4.32 0.00 3.15 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 90 Y 8.08 3.96 0.00 3.14 3.12 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 91 L 8.12 3.91 0.00 1.85 1.87 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.32 4.19 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 3.06 0.00 93 K 7.96 3.87 0.00 1.77 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.65 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.44 7.81 94 Q 7.59 3.87 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.96 2.19 0.00 95 V 7.79 3.63 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 1.06 0.00 0.00 0.89 0.00 0.00 96 L 8.27 3.98 0.00 1.85 1.88 0.92 0.65 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 97 N 8.56 4.31 0.00 2.74 2.85 0.00 0.00 6.70 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 98 F 8.52 4.20 0.00 3.03 3.31 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 99 T 8.06 3.45 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 1.19 0.00 0.00 100 L 7.98 3.93 0.00 1.80 1.73 0.90 1.21 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 0.00 101 E 7.93 4.02 0.00 1.96 1.91 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 2.26 2.35 0.00 102 E 8.07 4.54 0.00 1.31 1.82 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 2.20 2.22 0.00 103 V 7.14 4.13 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 1.14 0.00 0.00 0.59 0.00 0.00 104 L 8.41 4.06 0.00 1.62 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 F 7.97 4.15 0.00 3.21 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.31 0.00 2.09 2.17 0.00 3.94 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 107 Q 7.48 4.53 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 108 S 7.47 4.19 0.00 3.80 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.80 4.39 0.00 2.56 2.66 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 0.00 110 R 7.60 3.91 0.00 1.38 0.66 0.00 3.16 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 111 F 7.77 4.09 0.00 3.34 3.14 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 0.00 112 Q 7.94 4.57 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.08 0.00 0.00 0.00 0.00 0.00 2.46 2.24 0.00 113 P 0.00 4.57 0.00 2.11 2.14 0.00 2.33 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 114 Y 7.33 4.03 0.00 3.21 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 0.00 115 M 8.28 4.09 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 116 Q 7.91 4.16 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 117 E 7.76 4.33 0.00 2.02 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 2.33 2.54 0.00 118 V 7.93 4.00 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 1.08 0.00 0.00 0.96 0.00 0.00 119 V 7.80 3.60 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 1.08 0.00 0.00 1.02 0.00 0.00 120 P 0.00 4.30 0.00 2.25 2.12 0.00 3.72 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 2.28 2.17 0.00 121 F 7.76 4.26 0.00 3.04 3.23 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 0.00 122 L 8.10 3.59 0.00 1.66 1.61 0.91 0.39 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 0.00 123 A 8.35 3.97 1.37 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 0.00 124 R 7.89 3.83 0.00 2.00 1.97 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 125 L 7.28 3.85 0.00 1.60 1.61 0.49 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.11 4.21 0.00 3.87 4.01 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 0.00 127 N 8.31 4.36 0.00 2.95 2.85 0.00 0.00 7.08 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 7.98 3.96 0.00 1.99 2.00 0.00 3.33 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 129 L 8.02 4.42 0.00 1.74 1.74 0.94 1.19 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 0.00 130 S 7.16 3.77 0.00 4.04 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 *140 H 8.22 4.86 0.00 3.38 3.55 0.00 5.52 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.43 3.60 1.94 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 1.35 0.92 0.99 0.00 0.00 142 Q 8.13 3.99 0.00 2.09 2.15 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 2.47 2.46 0.00 143 R 7.78 3.84 0.00 1.87 2.15 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 144 N 7.93 4.30 0.00 2.78 2.82 0.00 0.00 6.73 8.06 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 0.00 145 V 7.73 3.43 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 0.80 0.00 0.00 0.86 0.00 0.00 146 Q 8.19 3.81 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 147 K 7.75 3.86 0.00 1.81 1.82 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 148 L 7.47 3.88 0.00 1.59 1.58 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.74 3.48 0.00 1.76 1.59 0.00 1.51 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 1.11 7.81 150 D 8.38 4.35 0.00 2.80 2.69 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 0.00 151 T 7.95 3.90 4.36 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 1.22 0.00 0.00 152 V 7.92 3.64 2.42 0.00 0.00 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 1.16 0.00 0.00 153 K 8.26 4.07 0.00 2.13 1.95 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.52 7.81 154 K 8.20 3.92 0.00 1.76 2.03 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 155 L 7.88 4.21 0.00 1.86 1.78 0.95 0.98 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 0.00 156 G 8.33 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 0.00 0.00 0.00 157 E 8.81 3.93 0.00 2.06 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 2.40 2.40 0.00 158 S 8.23 4.31 0.00 3.95 4.02 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 0.00 159 G 8.32 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 0.00 160 E 8.06 4.04 0.00 2.23 2.04 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 2.42 2.44 0.00 161 I 7.88 3.81 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.95 1.07 0.00 0.00 162 K 8.43 4.08 0.00 1.86 2.09 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.52 7.81 163 A 8.18 4.19 1.45 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 0.00 0.00 164 I 7.92 3.81 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.25 0.76 0.00 0.00 165 G 8.11 3.70 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 0.00 0.00 0.00 166 E 7.56 4.86 0.00 2.20 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 0.00 2.26 2.39 0.00 167 L 7.86 4.10 0.00 1.81 1.77 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.20 4.83 0.00 2.91 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 0.00 169 L 7.87 4.16 0.00 1.95 1.83 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.35 4.07 0.00 1.80 1.92 1.00 1.24 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 0.00 171 F 8.83 4.50 0.00 3.23 3.27 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 0.00 172 M 8.47 3.93 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 3.16 0.00 173 S 8.29 4.08 0.00 4.20 4.16 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 0.00 174 L 8.17 3.98 0.00 2.09 1.99 1.00 0.88 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 0.00 175 R 7.70 2.51 0.00 0.74 1.54 0.00 3.03 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 176 N 7.84 4.15 0.00 2.58 2.73 0.00 0.00 7.10 7.91 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 0.00 177 A 7.94 4.11 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 0.00 178 C 8.00 4.71 0.00 3.15 3.29 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 0.00 179 I 7.14 4.42 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.