NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4993 8.1927 115.4178 57.9174 65.4365 175.2720 6 L 4.0991 7.9013 122.8711 57.4389 42.0589 176.5765 7 Y 4.1985 8.4078 116.6299 60.9653 38.2991 177.9451 8 K 3.9892 8.2234 120.0279 59.5951 32.4358 177.8194 9 Y 4.1821 7.8950 119.8983 60.9807 38.7678 178.3768 10 L 3.6734 8.2440 119.7447 57.6740 41.8879 179.5287 11 L 3.9806 8.1060 119.0737 57.6546 41.4929 179.6365 12 L 4.0414 7.9958 118.9997 57.8565 41.3783 179.6565 13 R 3.7742 7.5763 116.8341 58.8415 29.9651 178.4091 14 S 4.6445 7.5596 112.4533 58.8813 63.2475 174.6802 15 T 4.5309 7.7989 110.2032 60.3433 68.9001 173.2139 16 G 3.2258 7.9838 110.4500 45.6912 0.0000 173.8002 17 D 4.5187 7.5458 121.6369 52.7409 40.8576 176.2876 *19 R 4.1330 8.1474 122.6539 55.3192 31.3215 175.7518 20 R 3.9496 8.3961 119.7433 56.3127 30.6497 176.2602 21 A 4.5131 8.4310 126.4232 52.1743 19.1059 176.8146 22 K 4.7235 8.5033 119.6361 54.2683 36.2434 176.6685 23 S 4.3183 8.6924 119.3158 57.9316 63.2489 172.8623 24 P 4.9629 0.0000 0.0000 62.3574 32.0280 174.6929 25 T 4.4764 8.0579 107.4662 62.5486 72.0712 176.9595 26 I 4.4595 7.6914 121.0277 60.1279 39.7721 180.4496 *28 T 4.1518 8.7043 118.6694 63.0642 69.7057 171.4171 29 R 3.7324 8.7045 127.5435 56.2485 30.0420 176.2081 30 V 4.0651 8.6327 120.4052 62.1268 33.0723 175.2935 31 T 4.6807 7.1611 107.1379 59.4350 71.8881 172.3512 32 N 4.3326 9.0001 118.7517 56.6851 38.5664 175.2757 33 N 5.0465 8.6898 112.2267 52.6381 40.5154 173.6358 34 V 4.8293 7.5563 119.7148 61.3121 33.8994 174.0429 35 Y 5.2222 9.2054 124.4224 56.1080 42.0890 173.9758 36 L 5.2163 8.9769 124.6618 53.7401 44.7265 175.8083 37 G 4.2709 8.9640 111.9026 46.1193 0.0000 170.0744 38 N 5.7315 8.3461 117.1045 51.0940 40.0592 174.0762 39 Y 3.7236 8.4887 118.3345 60.8635 39.0448 178.2787 40 K 4.0554 8.2514 119.2145 59.5688 32.3340 177.9320 41 N 4.4458 8.6689 115.9914 56.0350 38.7495 178.0725 42 A 3.8430 7.3566 120.7885 52.1409 18.5414 178.5568 *44 N 4.5776 8.2044 117.5111 54.1018 40.9473 176.5536 45 A 4.0371 7.8321 122.4649 54.7433 18.5637 178.2459 46 P 4.3192 0.0000 0.0000 65.1560 31.4608 177.2609 47 S 4.5914 7.7511 110.1107 57.8591 63.3977 173.9579 48 S 4.4260 7.8606 117.1602 58.0004 62.7275 174.6130 49 E 4.1877 8.6015 125.4673 57.7083 29.5483 178.1461 50 V 3.2691 7.3083 118.9889 63.7474 32.0469 175.4172 51 K 3.6645 7.3492 117.0234 56.8037 28.8241 176.1441 52 F 4.3568 7.5587 116.8232 57.9656 40.1546 175.9878 53 K 4.3603 9.2294 123.7905 57.6078 34.0986 176.1381 54 Y 5.3845 8.0807 115.5103 56.1248 42.7875 174.7149 55 V 4.7822 8.7795 121.1840 61.1665 35.2291 174.1369 56 L 4.8876 9.2741 130.8661 53.7762 43.1338 174.8086 57 N 4.7544 9.2774 127.7579 52.6538 39.6245 174.7342 58 L 5.4967 8.8806 126.2799 53.4349 43.3046 177.5628 59 T 4.5359 8.4220 118.0442 61.3818 67.4603 177.1393 *61 D 4.3802 8.7754 115.1759 53.3736 41.9513 174.0777 62 K 3.8068 8.3656 126.3297 56.3536 32.8494 175.2395 63 Y 4.9585 7.4245 121.8391 55.5045 41.2785 173.7797 64 T 4.6159 8.4542 109.1323 59.7127 71.9463 173.7530 65 L 4.6145 8.0897 121.3494 52.0865 42.6339 175.3769 66 P 4.1131 0.0000 0.0000 66.6191 31.0935 177.2386 67 N 4.4472 7.9947 117.7874 53.8302 39.3924 174.6226 68 S 4.7407 7.5889 112.0555 57.4700 63.9068 173.2101 69 N 4.7184 8.5497 122.8334 53.2312 38.7169 175.3384 70 I 3.8245 7.4259 120.0681 62.0205 38.1530 175.1835 71 N 4.6294 8.9022 125.6183 52.6776 39.9343 173.6906 72 I 4.8007 8.2865 127.9318 60.1490 38.7335 175.2431 73 I 4.2694 8.8917 129.1339 59.8837 39.0944 174.1643 74 H 5.1718 8.7236 127.4935 54.9016 31.1933 174.4415 75 I 4.3505 8.5159 127.5718 58.0650 38.7327 171.5917 76 P 4.7917 0.0000 0.0000 62.2568 31.6664 175.8710 77 L 4.6866 8.1842 124.5050 52.6843 44.3753 176.2286 78 V 4.2208 8.3100 121.6555 61.5564 32.7023 176.3540 79 D 4.6973 8.5427 129.7251 52.7468 39.5588 173.8460 80 D 4.6776 7.4827 120.2504 52.1580 42.8053 176.2620 81 T 4.4334 8.4644 108.8214 61.8647 68.9837 174.7724 82 T 4.4818 7.8519 111.8472 62.3623 70.7019 174.7197 83 T 4.3070 7.9651 118.5663 62.4289 69.4729 173.8496 84 D 4.6603 8.6140 125.7333 54.2173 42.0223 176.2954 85 I 4.5039 9.0267 118.8192 60.6579 38.7629 177.8950 86 S 2.7900 7.9384 116.4659 60.5926 62.5920 176.0128 87 K 3.8431 7.7049 121.3424 59.0674 32.4224 177.7269 88 Y 4.4280 7.2925 117.2213 58.8409 38.2000 177.2693 89 F 4.6784 7.5864 119.5856 61.2184 39.1348 177.2465 90 D 4.5344 8.2750 117.5032 57.6632 40.8405 178.5914 91 D 4.4518 8.1462 118.9519 57.2150 40.8338 178.9065 92 V 3.7346 8.2360 119.1622 66.3127 31.5888 178.2828 93 T 4.0016 8.5711 109.8111 64.8069 68.5844 176.3145 94 A 4.0769 8.3008 123.7042 54.8347 18.3856 179.4209 95 F 4.1737 8.2472 118.9866 61.4790 39.5252 177.4550 96 L 3.2949 7.9496 118.7839 57.4166 41.1532 179.3292 97 S 4.4159 8.2644 114.8719 60.7275 62.2448 176.1632 98 K 3.8914 8.0147 122.2076 59.6830 31.8456 178.4334 99 C 3.9883 7.7146 116.9337 63.0254 27.8563 175.9642 100 D 4.3575 8.1140 120.3381 57.3281 40.1649 178.6228 101 Q 3.9956 8.1299 119.3971 58.9763 29.2260 177.7020 102 R 4.2139 8.2442 116.2537 55.3745 31.4030 175.7727 103 N 4.3005 7.4168 115.3806 53.5853 36.5100 175.6367 104 E 4.6462 8.2909 116.7170 53.7557 31.3848 176.0856 105 P 4.9244 0.0000 0.0000 62.8469 32.9797 176.0038 106 V 5.6661 9.3162 122.2454 59.1320 35.2707 173.6973 107 L 5.1508 8.5816 125.6634 53.4227 44.3022 174.6409 108 V 4.9591 8.9104 127.3687 61.6510 33.3362 174.2025 109 H 5.8767 9.3607 122.3751 53.7278 32.0665 171.7539 110 C 4.9562 8.5756 115.2518 58.7134 32.3856 174.9200 111 V 4.1207 8.8689 113.6578 65.5869 31.5867 178.4820 112 A 4.2699 8.2956 120.3853 52.0694 19.2163 177.2226 113 G 4.2475 8.2398 103.1611 46.1840 0.0000 174.3311 114 V 4.2301 7.8525 116.3742 64.0007 33.6455 176.5867 115 N 4.6445 7.7787 116.1030 55.5958 38.8340 177.6849 116 R 4.0427 7.9696 118.8058 59.5089 30.9274 179.0036 117 S 4.4139 8.1783 113.7275 61.4273 63.0606 176.3207 118 G 3.6807 8.2267 108.7607 47.3127 0.0000 175.4856 119 A 4.2936 8.0304 121.2442 52.4430 18.2945 179.3572 *121 I 4.1783 7.7480 123.7223 62.9980 39.3482 178.0846 122 L 4.0083 8.5124 120.7675 58.0297 41.9303 178.4594 123 A 3.5215 8.0050 119.7945 55.1874 18.4417 178.5011 124 Y 4.4625 8.0532 117.3385 60.8728 38.3524 179.7142 125 L 3.8692 8.0152 118.9458 54.9178 41.4844 179.1638 *127 S 4.4828 8.0908 115.3707 57.9464 64.7520 174.4898 128 K 4.0481 7.2697 118.0289 56.5561 32.3477 176.1097 129 N 4.1165 7.4870 117.5358 53.2738 38.5198 174.3026 130 K 4.4545 8.3975 124.3695 56.2144 34.3330 176.7859 131 E 4.4841 8.0788 115.7182 55.9997 31.3574 175.9047 132 S 4.7451 7.8694 114.3302 55.9031 65.2233 173.8285 133 S 4.0813 8.6657 116.9256 58.5974 62.3093 174.6187 134 P 4.6149 0.0000 0.0000 62.7213 31.1471 178.1199 *136 L 4.2559 8.1316 121.3859 55.3830 43.8951 178.0334 137 Y 4.2582 8.4252 119.1590 60.5212 38.5556 177.4872 138 F 4.0443 8.7507 121.9490 61.4252 39.5271 177.1068 139 L 4.0736 8.1959 117.9945 57.8920 41.5137 178.7125 140 Y 4.1892 8.3138 119.5712 60.7583 38.5910 178.2362 141 V 2.9153 7.4539 117.9526 65.8349 31.6340 176.8576 142 Y 3.9562 7.5537 118.0860 61.2424 38.8992 177.7323 143 H 4.4284 8.2846 117.1319 58.5266 28.7689 178.3512 144 S 3.9902 7.6900 112.8552 59.2014 62.3696 175.9063 *146 R 4.1030 7.9691 124.6133 57.0423 31.5527 177.2486 147 D 4.3334 7.9580 116.9639 57.0061 41.1216 177.5539 148 L 4.0335 7.8096 120.4222 57.6545 42.4714 177.9030 149 R 4.1967 7.6874 116.5149 56.3870 31.2455 176.8846 150 G 4.0900 9.5772 106.1747 45.8409 0.0000 173.4913 151 A 4.9648 7.3649 118.8563 51.0994 21.9655 175.3981 152 F 4.5309 9.7004 122.8720 58.6622 43.1075 174.7776 153 V 3.3617 8.1079 129.8322 64.0887 29.9783 173.4789 154 E 4.0894 7.9842 119.4821 59.0193 30.5086 178.0191 155 N 4.2113 8.5544 118.2474 53.0476 39.5292 173.6178 156 P 4.3787 0.0000 0.0000 65.5147 31.7242 178.3028 157 S 4.1452 8.1301 113.0240 61.3424 62.3537 175.9106 158 F 4.5899 8.4824 120.3656 60.7039 38.6236 177.8032 159 K 4.2266 8.2302 117.8466 59.4396 31.7731 179.2800 160 R 3.8818 8.3006 119.0527 59.7419 30.0144 178.6744 161 Q 4.2863 8.4316 117.7362 59.0036 28.6845 178.8015 162 I 3.7943 8.1725 121.0292 64.3781 37.1260 178.5173 163 I 3.4982 8.0131 120.8114 64.4290 36.6956 178.2884 164 E 3.9234 8.1503 118.2519 59.2307 29.3207 179.2053 165 K 3.9157 7.9806 118.6940 59.1531 32.4198 177.7252 166 Y 4.6144 7.8569 113.7580 57.6715 39.3000 175.9862 167 V 4.0055 7.8888 124.1441 62.8020 31.7346 174.8924 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 5 S 8.19 4.50 0.00 4.05 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 6 L 7.90 4.10 0.00 1.88 1.84 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.41 4.20 0.00 3.00 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 8 K 8.22 3.99 0.00 1.91 1.91 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.55 7.81 9 Y 7.89 4.18 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 10 L 8.24 3.67 0.00 1.73 1.69 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.11 3.98 0.00 1.74 1.70 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.00 4.04 0.00 1.65 1.67 0.94 0.71 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 13 R 7.58 3.77 0.00 1.36 1.23 0.00 3.19 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.95 0.00 14 S 7.56 4.64 0.00 3.87 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 15 T 7.80 4.53 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 1.23 0.00 0.00 16 G 7.98 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 0.00 0.00 0.00 17 D 7.55 4.52 0.00 2.75 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 *19 R 8.15 4.13 0.00 1.85 1.92 0.00 3.25 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 20 R 8.40 3.95 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 21 A 8.43 4.51 1.26 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 0.00 0.00 0.00 22 K 8.50 4.72 0.00 1.62 1.68 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 23 S 8.69 4.32 0.00 3.77 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 24 P 0.00 4.96 0.00 2.08 2.02 0.00 3.83 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 25 T 8.06 4.48 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 1.22 0.00 0.00 26 I 7.69 4.46 1.91 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 1.36 0.62 0.93 0.00 0.00 *28 T 8.70 4.15 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 1.14 0.00 0.00 29 R 8.70 3.73 0.00 1.62 1.68 0.00 3.13 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.00 30 V 8.63 4.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.06 0.00 0.00 31 T 7.16 4.68 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 1.30 0.00 0.00 32 N 9.00 4.33 0.00 2.68 3.09 0.00 0.00 6.69 7.79 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 33 N 8.69 5.05 0.00 2.97 2.86 0.00 0.00 6.54 7.27 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 34 V 7.56 4.83 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 1.01 0.00 0.00 0.87 0.00 0.00 35 Y 9.21 5.22 0.00 3.08 2.97 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 0.00 0.00 0.00 0.00 36 L 8.98 5.22 0.00 1.68 1.60 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.96 4.27 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 0.00 0.00 0.00 38 N 8.35 5.73 0.00 3.23 3.14 0.00 0.00 5.62 7.57 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 39 Y 8.49 3.72 0.00 3.07 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 40 K 8.25 4.06 0.00 1.82 1.98 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.53 7.81 41 N 8.67 4.45 0.00 2.81 2.81 0.00 0.00 7.03 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 42 A 7.36 3.84 0.64 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 0.00 0.00 *44 N 8.20 4.58 0.00 2.85 2.89 0.00 0.00 6.88 8.14 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 45 A 7.83 4.04 1.09 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 46 P 0.00 4.32 0.00 2.05 2.14 0.00 3.57 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 2.01 2.08 0.00 47 S 7.75 4.59 0.00 4.01 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 48 S 7.86 4.43 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 4.19 0.00 1.96 1.94 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 2.29 2.22 0.00 50 V 7.31 3.27 1.01 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 -0.53 0.00 0.00 0.53 0.00 0.00 51 K 7.35 3.66 0.00 1.78 1.80 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.49 7.81 52 F 7.56 4.36 0.00 3.07 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 53 K 9.23 4.36 0.00 1.74 1.57 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.56 7.81 54 Y 8.08 5.38 0.00 3.03 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 55 V 8.78 4.78 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 1.06 0.00 0.00 0.80 0.00 0.00 56 L 9.27 4.89 0.00 1.94 1.65 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.28 4.75 0.00 2.87 2.75 0.00 0.00 6.86 6.65 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 58 L 8.88 5.50 0.00 1.71 1.61 0.94 0.49 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 59 T 8.42 4.54 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 1.51 0.00 0.00 *61 D 8.78 4.38 0.00 2.71 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 62 K 8.37 3.81 0.00 1.65 1.64 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.25 7.81 63 Y 7.42 4.96 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.84 1.84 0.00 3.66 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.30 0.00 106 V 9.32 5.67 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 0.92 0.00 0.00 1.13 0.00 0.00 107 L 8.58 5.15 0.00 0.71 1.02 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.91 4.96 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 0.98 0.00 0.00 0.99 0.00 0.00 109 H 9.36 5.88 0.00 3.46 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.58 4.96 0.00 3.02 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 0.00 111 V 8.87 4.12 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 0.89 0.00 0.00 0.92 0.00 0.00 112 A 8.30 4.27 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 4.25 0.00 0.00 0.00 0.00 0.00 0.00 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1.75 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 0.61 0.00 0.00 0.10 0.00 0.00 142 Y 7.55 3.96 0.00 2.44 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 0.00 143 H 8.28 4.43 0.00 3.35 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 7.69 3.99 0.00 3.71 3.69 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 *146 R 7.97 4.10 0.00 1.54 1.84 0.00 3.25 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 147 D 7.96 4.33 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.81 4.03 0.00 1.58 1.52 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.69 4.20 0.00 1.83 1.96 0.00 3.11 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 150 G 9.58 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 0.00 151 A 7.36 4.96 1.27 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 0.00 0.00 152 F 9.70 4.53 0.00 2.67 2.57 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 0.00 153 V 8.11 3.36 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 0.92 0.00 0.00 0.04 0.00 0.00 154 E 7.98 4.09 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 2.28 0.00 155 N 8.55 4.21 0.00 2.41 2.30 0.00 0.00 6.81 7.23 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 0.00 156 P 0.00 4.38 0.00 2.30 2.28 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 157 S 8.13 4.15 0.00 4.02 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 0.00 158 F 8.48 4.59 0.00 3.36 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 0.00 159 K 8.23 4.23 0.00 2.05 2.01 0.00 1.51 0.00 0.00 1.45 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.71 7.81 160 R 8.30 3.88 0.00 2.01 2.16 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 161 Q 8.43 4.29 0.00 2.53 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 162 I 8.17 3.79 2.28 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.05 1.21 0.00 0.00 163 I 8.01 3.50 1.86 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.08 0.73 0.00 0.00 164 E 8.15 3.92 0.00 2.09 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 2.34 2.54 0.00 165 K 7.98 3.92 0.00 1.76 1.66 0.00 1.43 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.35 0.21 7.81 166 Y 7.86 4.61 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 7.89 4.01 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 0.71 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.