NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 K 4.2567 8.3149 121.7890 55.9536 33.3355 175.5759 13 L 3.9867 8.3654 126.0962 54.1210 42.2653 175.7536 14 L 4.4129 8.4026 122.0420 53.8255 41.7345 175.6940 15 T 4.7010 8.0561 116.8246 59.8526 70.6197 173.2829 16 V 4.2734 8.1358 124.6111 61.0852 34.2860 174.2243 17 D 4.6069 8.5698 127.1912 52.7698 41.0757 176.6380 18 T 2.5278 8.0298 117.4339 62.9085 69.0842 175.4074 19 T 4.2349 7.9027 111.5685 62.9072 69.4079 175.6506 20 A 4.2204 7.7278 124.2487 54.0446 18.7580 176.6102 21 H 5.0174 7.8941 111.1979 53.4113 32.9737 171.2970 22 P 4.8222 0.0000 0.0000 62.2832 32.1775 176.1203 23 F 4.3629 8.8577 117.7605 57.3679 39.9996 175.1781 24 L 4.2838 8.9150 122.2855 54.8349 42.4424 176.4339 25 K 4.6947 9.1997 123.8315 55.8672 33.5559 176.9132 26 A 3.9152 8.6598 125.6551 52.5374 16.3314 176.4431 27 L 4.0664 8.2027 123.5290 56.0667 43.1201 177.2792 28 G 2.8626 9.3805 113.6572 46.1465 0.0000 174.4796 29 G 3.6705 7.6736 106.0967 45.4979 0.0000 174.9495 30 H 4.3657 7.9161 117.8727 54.2637 27.3728 173.7791 31 E 4.0674 8.3585 124.8669 57.7179 30.1151 177.1571 32 G 4.0021 9.2169 113.9952 45.0159 0.0000 172.3616 33 T 4.6286 7.8569 116.8706 61.9899 70.4431 173.2723 34 D 5.5383 8.3639 126.3827 52.5052 44.3973 175.5307 35 I 5.2259 8.8255 122.0704 59.5479 41.9009 174.4499 36 F 4.5473 8.8763 126.8993 55.4279 41.1982 172.9457 37 P 4.3637 0.0000 0.0000 62.7166 32.2035 174.9568 38 L 4.6399 8.4879 117.9073 55.9086 43.8403 176.2716 39 F 5.5707 7.8421 116.1305 55.5880 42.9736 173.9206 *41 D 4.2462 8.2165 120.3606 53.3050 40.4774 173.6230 42 P 4.1143 0.0000 0.0000 64.2584 31.7341 177.4151 43 Y 4.3606 7.5427 114.9227 59.7776 38.3694 176.0824 44 N 4.5477 8.7689 115.1126 52.7444 39.9327 174.4776 45 G 3.6965 8.0921 106.6167 45.5934 0.0000 171.3946 46 L 5.2868 7.9683 118.5625 53.2554 46.4933 174.6339 *48 V 4.3402 7.8686 119.4214 62.7940 33.0892 174.1516 *50 R 4.6982 8.3062 123.8293 56.1261 31.9168 174.2050 51 A 5.2464 9.0571 124.1343 50.1365 23.0773 174.9419 52 S 4.9320 8.9350 115.7405 56.6760 65.1610 172.5981 53 F 5.4106 9.1099 126.5138 55.6704 41.3035 175.9183 54 A 5.1004 8.6318 124.6500 50.2562 19.3863 175.4609 55 P 4.3012 0.0000 0.0000 62.8274 32.4403 176.4739 56 G 3.9204 8.2942 107.7929 46.8121 0.0000 173.8813 57 L 4.6631 8.0874 119.1181 53.8187 44.1976 176.8149 58 T 4.7473 8.1612 117.7377 62.5055 71.0621 173.7495 59 L 4.4477 8.6638 127.1456 53.2561 43.0374 175.1904 60 P 4.5500 0.0000 0.0000 62.6700 32.4380 177.3028 61 L 4.3016 8.4563 123.7051 55.5795 42.2481 176.3962 62 H 5.4279 9.0202 122.2357 52.8743 31.7526 173.1007 63 F 4.8284 9.3130 127.5741 58.0152 40.6779 173.5772 64 H 5.3797 8.1353 122.0510 54.1250 29.7073 175.6420 65 T 4.0366 9.1133 113.8335 63.6907 70.0001 174.2879 66 G 4.5107 8.0536 108.5133 43.1468 0.0000 172.5867 67 T 4.4461 8.3632 109.1340 61.4983 70.6293 173.7310 68 V 4.7674 8.3916 122.9089 61.5591 34.5593 174.1270 69 H 5.3641 8.8806 123.4827 54.1116 33.1218 172.1597 *71 Y 5.0108 8.1446 120.2774 58.1386 40.4574 173.7108 72 T 4.6810 8.5294 124.1772 62.9818 69.3981 175.6719 73 I 4.0561 9.0385 129.1748 63.8376 38.0267 176.2262 74 S 4.4909 7.8679 114.2522 57.7978 66.3998 174.0562 75 G 4.1462 10.2864 105.8029 45.6938 0.0000 171.6562 76 C 5.0992 8.8000 120.3534 58.4802 35.1487 174.1911 77 W 5.1656 8.3979 121.7296 56.1284 31.7507 172.4469 78 Y 4.5517 8.1279 117.4241 56.0592 41.3438 173.0784 79 Y 5.2228 8.4322 117.6806 57.2403 39.3840 176.9024 80 T 4.0695 8.8492 120.7746 67.1858 68.7162 175.2664 81 E 4.0722 8.2948 118.2472 57.8607 30.6782 176.1586 82 Y 5.0060 8.3125 117.5573 56.1848 39.2042 174.3191 83 P 4.1118 0.0000 0.0000 65.3422 32.1054 178.6343 84 G 3.6635 8.0135 106.2425 47.0295 0.0000 173.8669 85 Q 4.4922 7.4273 119.5480 54.1374 27.9573 175.2349 86 K 4.0819 7.5689 118.3932 56.2979 33.9113 177.2399 87 Q 4.2269 8.5532 123.8706 54.6040 30.5160 174.9383 88 T 5.2792 8.1338 113.6265 57.9437 72.8931 172.6087 89 A 4.2603 8.6019 122.9958 54.4337 18.3836 178.2094 90 G 4.2726 8.4607 109.9372 45.5291 0.0000 173.3645 91 C 4.4743 7.5850 118.1427 58.7078 29.2567 172.1019 92 Y 5.2129 8.4349 123.6928 55.6836 41.1179 174.4995 93 L 4.4762 7.3897 125.6741 53.0836 45.3380 174.6066 94 Y 4.7551 8.3163 125.4840 55.7344 41.3078 174.1747 95 E 4.5004 8.1098 126.0292 53.5977 32.5760 174.3271 96 P 4.5246 0.0000 0.0000 61.7504 32.8213 176.1927 97 G 3.7307 7.7846 107.2240 46.7608 0.0000 174.2418 98 G 3.8222 8.4656 113.4618 45.2788 0.0000 174.7058 99 S 4.4185 7.1429 117.8261 57.9781 64.4396 178.1179 100 I 4.9560 8.0270 117.8684 60.6920 40.2134 173.9508 101 H 5.2573 8.6064 123.1971 52.7892 32.8798 172.1919 102 Q 4.7356 8.3395 117.9229 54.6337 32.2207 173.5178 103 F 4.6901 9.0911 129.4797 58.2938 41.1068 173.7039 104 N 5.3805 7.8187 121.6804 51.6697 43.2045 173.2720 105 T 4.7661 8.1489 113.2235 58.9619 70.8054 172.3817 106 P 4.4661 0.0000 0.0000 62.7488 32.0419 177.8838 107 R 4.0347 8.8700 121.9634 59.0451 30.2018 177.2977 108 D 4.7371 7.9546 114.9085 52.9494 40.3211 176.1185 109 N 4.3982 8.1275 121.1834 54.2986 39.0170 176.5091 110 E 4.0371 8.9129 119.2549 58.9576 30.9079 174.4473 111 G 3.9666 7.0679 105.9712 46.0386 0.0000 173.6751 112 Q 4.6383 8.9100 122.6594 56.1899 30.6295 175.2679 113 T 4.8641 8.9416 119.2621 62.1754 70.9097 173.1348 114 E 5.2230 8.9468 126.6567 54.9180 32.0031 175.8169 115 V 5.2303 9.0154 116.2803 59.8974 36.8963 174.0388 116 I 5.1003 8.9184 121.9176 59.4674 40.7000 174.7729 117 F 5.4598 7.8893 124.2095 55.7568 39.5174 172.8486 *119 L 4.3852 8.4267 119.9964 55.1666 42.5985 176.2367 120 S 5.0070 8.8122 121.6218 57.8963 66.0280 174.7034 121 G 4.3351 9.5437 110.3869 45.7580 0.0000 171.9528 122 C 4.8826 8.7546 117.3165 57.1041 34.3328 172.8235 123 N 5.4112 9.4250 116.9187 51.5802 40.6298 174.2778 124 V 4.5827 9.3144 124.7728 61.4844 33.5755 174.1785 125 N 5.1901 8.6221 126.0061 52.3749 40.1814 174.3747 126 F 5.3869 8.4526 120.7684 56.1487 43.7182 174.0555 127 T 4.6046 8.4167 111.3334 60.4146 70.7684 176.3779 128 Q 4.0003 8.7010 120.6170 58.2143 28.2704 178.2441 129 D 4.4235 8.2179 116.5688 56.4662 41.1591 177.2848 130 G 4.0265 8.4529 105.7651 45.3994 0.0000 172.8785 131 T 4.5859 7.6658 108.8350 59.8494 70.6382 173.6567 132 Y 3.9654 8.6333 125.3059 57.6015 39.4747 175.9534 133 L 4.3609 8.1485 126.0578 53.2817 44.3293 177.0025 134 G 3.5783 5.3800 103.3735 45.7250 0.0000 170.0878 135 L 4.9343 7.5944 119.6248 54.1238 45.3954 176.3045 136 S 4.4740 9.4432 120.8314 56.9337 66.9388 172.9521 137 D 4.9671 8.2532 123.5003 50.8081 42.7037 176.5567 138 A 3.9588 8.6604 119.1877 55.3280 18.0262 179.8091 139 G 3.4186 7.9553 103.5903 47.9309 0.0000 175.9588 140 V 3.2880 7.5739 120.4305 65.6430 31.5250 178.2800 141 I 3.2055 7.1874 119.5376 63.9032 36.7494 178.3729 142 K 3.8960 8.3627 121.0189 59.4299 32.0442 178.6856 143 N 4.3553 8.0885 116.8809 55.9965 38.5698 177.4183 144 W 4.3526 8.2623 120.6070 59.7699 29.1523 178.6120 145 V 3.5637 8.3254 118.4817 66.2748 31.0028 177.8190 146 D 4.4440 8.4130 119.0216 57.3403 40.6098 178.9192 147 R 4.0648 8.1521 115.9945 58.7051 29.5691 178.7301 148 A 3.9682 7.8553 121.7217 54.9387 18.3558 179.5209 149 I 3.6280 7.8854 118.4371 64.5424 37.0949 178.9610 150 R 3.8975 7.8364 118.2351 59.3978 29.7821 178.9856 151 E 3.9347 8.1800 117.0110 59.3361 29.5125 178.0496 152 Q 4.3375 8.5029 114.9714 54.9782 28.9793 175.1152 153 D 4.3763 7.4373 116.5290 55.0511 39.1355 173.2392 154 N 4.5938 8.2096 116.7092 53.0162 39.7005 174.4189 155 G 3.9971 8.5541 113.9060 45.1740 0.0000 173.5630 156 L 3.9376 7.4950 120.0038 55.2202 41.0346 176.5174 157 R 4.7041 8.2414 117.5937 54.5965 33.6548 174.3086 158 Y 5.0616 7.6194 117.4035 55.3750 41.8113 174.3609 159 I 4.2118 9.0279 121.7750 60.9153 38.5721 175.0085 160 A 4.7171 8.3349 127.0633 49.9246 22.2033 175.0372 161 A 4.3753 8.2653 123.8782 50.3463 20.0190 177.3324 162 A 4.3649 8.3639 126.2766 51.4212 19.3870 177.3129 163 V 2.7466 7.5414 119.4418 60.3564 31.8821 174.7533 164 P 4.3004 0.0000 0.0000 63.3556 31.7058 175.0222 165 T 4.4384 7.6553 108.7886 60.2481 71.6654 172.9076 166 Y 4.1181 8.1606 119.1198 57.7864 38.2892 176.5097 167 A 4.0884 8.6137 127.0918 51.7123 19.2437 177.3368 168 A 4.1903 8.6462 124.1003 52.6094 18.3821 177.3862 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 12 K 8.31 4.26 0.00 1.73 1.79 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 13 L 8.37 3.99 0.00 1.76 1.59 0.92 0.72 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 14 L 8.40 4.41 0.00 1.67 1.70 0.97 0.78 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 15 T 8.06 4.70 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 16 V 8.14 4.27 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 1.04 0.00 0.00 1.07 0.00 0.00 17 D 8.57 4.61 0.00 2.69 2.54 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 18 T 8.03 2.53 3.49 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 0.00 0.00 0.00 0.53 0.00 0.00 19 T 7.90 4.23 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 1.22 0.00 0.00 20 A 7.73 4.22 1.36 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 0.00 0.00 0.00 21 H 7.89 5.02 0.00 3.32 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.82 0.00 2.28 2.14 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 23 F 8.86 4.36 0.00 2.83 3.07 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 24 L 8.91 4.28 0.00 1.55 1.53 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.20 4.69 0.00 1.62 1.72 0.00 2.05 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.54 7.81 26 A 8.66 3.92 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 27 L 8.20 4.07 0.00 1.77 1.61 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 G 9.38 2.86 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 29 G 7.67 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.92 4.37 0.00 3.28 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.36 4.07 0.00 1.88 1.87 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 2.29 2.39 0.00 32 G 9.22 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 33 T 7.86 4.63 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 1.07 0.00 0.00 34 D 8.36 5.54 0.00 2.64 2.68 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 35 I 8.83 5.23 1.82 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 1.11 0.99 0.94 0.00 0.00 36 F 8.88 4.55 0.00 1.51 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 0.00 0.00 0.00 0.00 37 P 0.00 4.36 0.00 1.57 1.56 0.00 3.19 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.49 0.00 38 L 8.49 4.64 0.00 1.90 1.74 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.84 5.57 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.25 0.00 2.70 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 42 P 0.00 4.11 0.00 0.83 1.74 0.00 3.38 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 43 Y 7.54 4.36 0.00 3.05 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 44 N 8.77 4.55 0.00 2.95 2.93 0.00 0.00 7.03 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 45 G 8.09 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 46 L 7.97 5.29 0.00 1.65 1.66 1.00 0.86 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 *48 V 7.87 4.34 2.14 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 1.30 0.00 0.00 0.95 0.00 0.00 *50 R 8.31 4.70 0.00 1.77 2.07 0.00 3.19 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.66 0.00 51 A 9.06 5.25 1.03 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 52 S 8.94 4.93 0.00 3.43 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 5.41 0.00 3.11 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 54 A 8.63 5.10 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 55 P 0.00 4.30 0.00 1.99 2.04 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.32 0.00 56 G 8.29 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.66 0.00 1.70 1.68 1.21 0.60 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 58 T 8.16 4.75 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 1.29 0.00 0.00 59 L 8.66 4.45 0.00 1.59 1.62 0.73 0.98 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 60 P 0.00 4.55 0.00 1.83 1.98 0.00 3.64 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 2.08 2.13 0.00 61 L 8.46 4.30 0.00 1.34 1.57 0.92 0.79 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 62 H 9.02 5.43 0.00 2.95 3.17 0.00 5.58 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.31 4.83 0.00 3.36 3.28 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 64 H 8.14 5.38 0.00 3.27 3.38 0.00 5.51 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 9.11 4.04 4.34 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 1.48 0.00 0.00 66 G 8.05 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.45 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 1.33 0.00 0.00 68 V 8.39 4.77 1.95 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 0.95 0.00 0.00 0.80 0.00 0.00 69 H 8.88 5.36 0.00 3.31 3.52 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 Y 8.14 5.01 0.00 3.38 3.09 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 72 T 8.53 4.68 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 73 I 9.04 4.06 2.08 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 1.59 0.74 1.03 0.00 0.00 74 S 7.87 4.49 0.00 3.88 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 75 G 10.29 4.15 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 0.00 0.00 0.00 76 C 8.80 5.10 0.00 2.93 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 77 W 8.40 5.17 0.00 2.68 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 78 Y 8.13 4.55 0.00 2.89 2.82 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 79 Y 8.43 5.22 0.00 3.22 3.19 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 80 T 8.85 4.07 4.32 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 1.28 0.00 0.00 81 E 8.29 4.07 0.00 1.96 1.53 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 2.35 2.34 0.00 82 Y 8.31 5.01 0.00 3.05 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.11 0.00 1.94 2.02 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 84 G 8.01 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 0.00 0.00 0.00 85 Q 7.43 4.49 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 86 K 7.57 4.08 0.00 1.49 1.57 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.38 7.81 87 Q 8.55 4.23 0.00 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.50 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 88 T 8.13 5.28 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 1.11 0.00 0.00 89 A 8.60 4.26 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 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 91 C 7.58 4.47 0.00 2.94 2.88 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 92 Y 8.43 5.21 0.00 3.15 2.96 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 93 L 7.39 4.48 0.00 1.60 1.39 0.83 1.01 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 94 Y 8.32 4.76 0.00 3.08 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 95 E 8.11 4.50 0.00 1.71 1.66 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 2.09 2.17 0.00 96 P 0.00 4.52 0.00 2.06 2.18 0.00 3.61 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 97 G 7.78 3.73 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 0.00 0.00 0.00 98 G 8.47 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 99 S 7.14 4.42 0.00 3.44 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 0.00 100 I 8.03 4.96 2.03 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 1.42 1.44 0.93 0.00 0.00 101 H 8.61 5.26 0.00 2.07 2.78 0.00 5.56 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.34 4.74 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 103 F 9.09 4.69 0.00 3.00 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 0.00 104 N 7.82 5.38 0.00 1.44 2.13 0.00 0.00 6.42 7.04 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 0.00 105 T 8.15 4.77 4.30 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 1.32 0.00 0.00 106 P 0.00 4.47 0.00 2.38 2.13 0.00 3.91 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 107 R 8.87 4.03 0.00 1.83 2.02 0.00 3.22 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 108 D 7.95 4.74 0.00 2.79 2.77 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 0.00 109 N 8.13 4.40 0.00 2.97 2.84 0.00 0.00 7.18 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 0.00 110 E 8.91 4.04 0.00 1.98 1.87 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 2.23 1.88 0.00 111 G 7.07 3.97 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 0.00 0.00 0.00 112 Q 8.91 4.64 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 113 T 8.94 4.86 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 114 E 8.95 5.22 0.00 2.00 1.95 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 2.28 2.44 0.00 115 V 9.02 5.23 2.38 0.00 0.00 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 1.29 0.00 0.00 116 I 8.92 5.10 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.85 1.15 0.00 0.00 117 F 7.89 5.46 0.00 3.43 3.08 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 0.00 0.00 0.00 *119 L 8.43 4.39 0.00 2.08 1.86 0.90 1.02 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 0.00 120 S 8.81 5.01 0.00 3.98 3.78 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 0.00 0.00 0.00 121 G 9.54 4.34 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 0.00 122 C 8.75 4.88 0.00 3.04 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 0.00 123 N 9.43 5.41 0.00 2.49 2.78 0.00 0.00 6.99 7.25 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 0.00 124 V 9.31 4.58 2.36 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 0.78 0.00 0.00 1.08 0.00 0.00 125 N 8.62 5.19 0.00 2.51 2.68 0.00 0.00 6.32 7.86 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 0.00 126 F 8.45 5.39 0.00 2.98 2.87 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 0.00 127 T 8.42 4.60 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 1.24 0.00 0.00 128 Q 8.70 4.00 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.04 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 129 D 8.22 4.42 0.00 2.65 2.79 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 0.00 130 G 8.45 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 0.00 131 T 7.67 4.59 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 132 Y 8.63 3.97 0.00 3.03 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 0.00 133 L 8.15 4.36 0.00 1.50 1.46 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 134 G 5.38 3.58 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 0.00 0.00 0.00 135 L 7.59 4.93 0.00 1.69 1.49 0.99 0.75 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 0.00 136 S 9.44 4.47 0.00 3.53 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.25 4.97 0.00 2.59 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 0.00 138 A 8.66 3.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.96 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.57 3.29 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 0.15 0.00 0.00 0.83 0.00 0.00 141 I 7.19 3.21 1.68 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.46 0.89 0.00 0.00 142 K 8.36 3.90 0.00 1.73 1.86 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.54 7.81 143 N 8.09 4.36 0.00 2.92 2.91 0.00 0.00 7.01 7.73 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 0.00 144 W 8.26 4.35 0.00 3.44 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 0.00 145 V 8.33 3.56 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 0.73 0.00 0.00 0.86 0.00 0.00 146 D 8.41 4.44 0.00 2.76 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 0.00 147 R 8.15 4.06 0.00 2.09 2.22 0.00 2.92 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.66 0.00 148 A 7.86 3.97 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.89 3.63 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.93 0.00 0.00 150 R 7.84 3.90 0.00 1.96 1.97 0.00 3.24 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 1.65 1.54 0.00 151 E 8.18 3.93 0.00 1.99 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 2.33 2.37 0.00 152 Q 8.50 4.34 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 153 D 7.44 4.38 0.00 2.75 2.71 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 0.00 154 N 8.21 4.59 0.00 2.63 2.63 0.00 0.00 6.93 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.55 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 0.00 156 L 7.50 3.94 0.00 1.66 1.54 0.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.24 4.70 0.00 2.04 1.76 0.00 3.27 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 158 Y 7.62 5.06 0.00 3.03 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 0.00 159 I 9.03 4.21 2.20 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 1.43 1.38 1.04 0.00 0.00 160 A 8.33 4.72 1.08 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 0.00 0.00 0.00 0.00 0.00 161 A 8.27 4.38 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 0.00 162 A 8.36 4.36 1.20 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 0.00 0.00 163 V 7.54 2.75 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.42 0.00 0.00 164 P 0.00 4.30 0.00 1.93 1.96 0.00 3.43 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 165 T 7.66 4.44 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 1.15 0.00 0.00 166 Y 8.16 4.12 0.00 3.03 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 4.09 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 0.00 168 A 8.65 4.19 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 * Residues marked with a * may have inaccurate shift predictions.