NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5580 8.0232 122.2773 51.3964 21.8460 176.2534 2 K 4.7149 8.6782 116.6617 54.1821 33.8732 170.6044 3 V 4.8582 9.3319 126.3268 60.9548 34.8229 173.4185 4 L 4.5667 8.6949 130.5220 53.2455 44.0784 174.9290 5 V 4.6086 8.7045 127.0784 61.3435 33.3511 173.9900 6 L 5.1964 8.7932 130.9453 53.3572 44.6251 174.7431 7 Y 5.3752 8.3159 123.0296 55.5929 42.2697 173.0607 8 Y 4.8955 8.7309 120.7881 55.7816 41.3660 174.6447 9 S 4.2316 7.5275 119.9752 56.9274 63.9605 172.9809 10 M 3.8071 8.3911 126.4198 57.4691 32.4665 176.6321 11 Y 4.4173 7.8154 111.7526 57.4559 39.3755 176.3409 12 G 3.9777 8.1595 109.9113 45.7737 0.0000 175.9157 13 H 4.2685 8.0403 116.8619 59.0492 28.7838 177.5138 14 I 3.7915 7.7221 121.1699 64.1800 36.9247 177.8072 15 E 2.9472 7.9370 119.6738 59.3261 29.5493 178.8339 16 T 3.7749 8.0563 115.8831 66.9372 68.4550 176.4073 17 M 3.9559 8.2031 120.3170 58.4197 31.9227 178.7108 18 A 3.7954 8.5868 121.1211 55.2310 18.4350 179.9598 19 R 3.7878 8.0835 116.3389 58.9880 30.0663 179.1922 20 A 3.8872 7.7953 120.5979 54.8786 18.2872 179.6119 21 V 3.5402 7.8092 116.9605 66.2602 31.5207 178.1886 22 A 3.9146 8.1267 120.5604 55.0048 17.9662 179.1166 23 E 3.9560 8.2336 117.3366 59.3510 29.9227 179.0737 24 G 3.6680 8.1869 105.4607 47.7639 0.0000 175.4996 25 A 4.1284 8.1662 123.7285 55.0404 18.1840 179.8618 26 S 4.2057 8.0014 112.1679 61.0271 62.9284 176.5585 27 K 4.2237 7.5854 120.0854 57.1832 32.0431 176.9777 28 V 3.8906 7.4296 120.7264 61.2067 31.8739 174.5541 29 D 4.4409 8.6146 127.6014 56.3061 40.8779 176.1173 30 G 3.9343 9.2357 114.8270 44.7289 0.0000 171.7942 31 A 4.8583 7.5958 122.0165 50.6468 20.3940 176.4139 32 E 4.4948 10.1091 124.7688 54.6057 31.4853 174.6007 33 V 4.9348 8.4173 127.1604 61.2755 33.7168 175.1262 34 V 4.6264 8.9185 120.3165 59.5177 35.9612 174.4876 35 V 4.9064 8.4106 123.0517 61.2207 33.7862 174.7087 36 K 4.9089 9.1603 126.1531 54.7833 37.0557 175.2386 37 R 4.3265 8.3192 117.8552 54.1600 32.5401 175.5020 38 V 3.8037 7.8236 113.5706 59.7061 32.5104 174.9258 39 P 4.3472 0.0000 0.0000 62.3784 31.8850 176.2146 40 E 4.1363 8.5660 121.4131 56.8550 30.0978 176.7178 41 T 4.3653 8.1099 118.2354 63.3306 70.8368 174.3994 *52 G 3.8044 7.7983 107.5671 45.8022 0.0000 172.4861 53 K 4.5261 7.9029 124.6981 55.1978 33.4389 176.4441 54 T 4.0399 8.3946 121.0941 62.2950 67.8842 173.9044 55 Q 4.2949 8.7132 127.5014 56.0583 29.4709 174.4344 56 T 4.3759 8.1291 108.0534 63.2313 71.1344 174.4448 57 A 4.2972 7.7528 124.9181 50.0979 19.3992 174.9720 58 P 4.4742 0.0000 0.0000 62.7542 32.8243 175.8841 59 V 4.3886 8.1997 122.0575 61.1000 32.4761 175.7283 60 A 4.7539 8.6946 126.9669 51.7226 19.8075 176.7514 61 T 4.8138 9.2650 110.1192 59.2155 71.4491 173.8598 62 P 3.8066 0.0000 0.0000 66.2027 31.3947 178.8544 63 Q 4.1883 8.0436 115.2391 58.1628 28.7115 177.9274 64 E 4.1251 8.2471 119.9584 59.4676 29.3274 179.0462 65 L 4.1815 8.0700 118.4888 57.8456 41.4863 179.2474 66 A 4.1899 7.9193 120.1566 54.6279 18.4099 177.8280 67 D 4.4535 8.1157 114.2676 55.1902 41.2283 175.8934 68 Y 4.6293 7.4033 116.6558 56.2539 40.5018 175.3724 69 D 4.7847 9.1925 122.1205 56.0504 42.5497 176.4048 70 A 5.2656 7.9417 118.7318 50.2806 23.2758 175.0395 71 I 4.7127 8.9888 121.4440 59.4614 41.1356 174.4962 72 I 4.9077 8.8356 128.1636 59.7779 39.3456 174.5184 73 F 5.0383 9.8576 127.4011 55.9417 41.0476 175.2351 74 G 3.0176 9.0501 111.2623 44.0656 0.0000 171.8779 75 T 5.1333 8.1523 118.7510 59.8550 71.2322 171.4988 76 P 5.1448 0.0000 0.0000 62.1764 32.3531 175.8931 77 T 4.2867 8.3619 116.8198 61.8218 68.5972 174.6563 78 R 3.9527 8.9809 127.3314 54.8229 30.7562 175.2617 79 F 3.8211 9.0320 126.3010 58.5387 36.5393 176.9407 80 G 3.9045 8.4653 106.3648 45.4522 0.0000 173.2194 81 N 4.9704 7.6804 117.9856 50.8572 41.6343 173.7041 82 M 4.3989 8.2875 118.8825 54.7927 31.8785 176.9363 83 S 4.3093 8.5992 115.4366 58.4528 64.9260 175.6851 84 G 3.5682 8.5292 109.9543 48.1400 0.0000 176.0545 85 Q 3.7625 7.5428 119.6313 59.0027 28.6335 178.3856 86 M 4.1011 7.7495 118.7348 58.3584 32.2551 178.2714 87 R 3.8593 8.2113 119.2149 59.7317 30.0779 178.6211 88 T 3.8779 7.9814 114.7013 66.4805 68.7312 176.0746 89 F 4.2059 8.2034 122.4603 61.4646 39.5226 177.3096 90 L 4.1168 8.4223 118.4767 57.5716 41.1472 179.0854 91 D 4.4429 8.4259 118.6835 56.7750 40.6360 177.5394 92 Q 4.4763 7.5390 117.3744 55.9782 29.0553 176.4587 93 T 4.6105 7.3873 109.7774 61.7814 69.1667 176.3779 94 G 3.8280 8.1123 111.3144 48.4975 0.0000 176.3366 95 G 3.6857 8.1158 107.5106 47.4424 0.0000 175.7068 96 L 4.1514 7.9664 120.8559 57.3111 41.7643 178.9709 97 W 4.1692 8.7857 128.5244 60.7014 30.4489 177.8954 98 A 3.9953 8.4478 118.8766 53.8934 17.8841 178.5288 99 S 4.5736 7.4807 109.3661 57.1826 63.8016 174.4056 100 G 3.7699 7.8332 110.5916 46.7072 0.0000 176.2100 101 A 3.9966 8.4495 125.5478 54.4544 18.6179 179.6203 102 L 4.5038 7.9042 113.1878 54.5293 42.4568 175.7476 103 Y 4.1820 6.9569 120.6124 58.4917 38.8139 176.8041 104 G 3.8548 8.1689 115.1659 45.4196 0.0000 173.6745 105 K 4.3681 7.6740 119.5334 55.8017 33.7714 176.3981 106 L 4.6746 8.5733 122.6940 54.7351 42.9620 176.0565 107 A 5.7030 9.3074 124.1124 49.4633 22.7625 174.8723 108 S 5.1563 8.7776 113.6200 57.2729 66.6804 173.0650 109 V 5.4688 8.8474 116.6117 59.7486 36.0335 174.4328 110 F 5.6987 9.1658 118.3165 55.5694 41.9505 173.5081 111 S 5.7421 9.2954 113.7840 57.3726 67.1581 172.3613 112 S 5.5607 8.5870 112.9009 56.0029 66.5211 173.5237 113 T 4.3874 8.5722 110.9322 61.5497 69.8912 175.0466 114 G 4.0111 8.2621 108.3370 46.1997 0.0000 174.4331 *117 G 3.7920 8.0038 107.7222 47.6629 0.0000 174.8877 118 G 4.0003 8.9050 112.2612 45.4116 0.0000 174.7278 119 Q 3.9812 7.9990 119.3140 59.2024 28.4390 178.4461 120 E 4.0258 8.0792 119.9597 59.4213 29.6292 179.0886 121 Q 3.9205 7.8738 118.8663 58.5564 28.8521 178.8023 122 T 3.8721 8.0177 116.9048 66.6145 68.4833 176.7582 123 I 3.4879 7.3566 121.5480 64.5497 37.2199 178.6759 124 T 2.8195 7.3406 110.9082 64.3685 68.4204 176.6185 125 S 4.1851 8.1191 117.3404 61.4529 62.9334 176.6697 126 T 3.8232 7.7119 119.1488 66.0410 68.1006 176.4351 127 W 4.4882 8.1729 121.2254 60.2367 28.9049 178.6076 128 T 4.0038 7.6613 107.9949 65.1124 68.2884 176.2394 129 T 4.0190 7.7818 118.1254 66.5506 68.6392 176.6201 130 L 4.1104 8.2493 120.2552 57.2735 41.5171 179.2677 131 A 4.0676 8.5756 121.5284 55.3699 18.0138 179.2755 132 H 4.2324 8.0290 114.0440 58.7072 28.7636 176.6279 133 H 4.9203 8.3376 116.3275 55.1429 28.6680 176.1079 134 G 3.5372 8.3059 109.7575 46.4436 0.0000 173.5266 135 M 4.5148 7.8099 118.0669 54.6261 33.1811 176.2684 136 V 3.7684 8.5156 122.7892 62.7633 33.0155 174.6913 137 I 4.5057 8.1042 128.5248 59.8042 38.5522 175.2806 138 V 4.2658 8.5850 128.4812 60.5628 32.3813 173.5604 139 P 5.1772 0.0000 0.0000 62.1083 32.4730 175.8035 140 I 4.4936 8.5221 109.6496 59.7496 39.7882 176.9528 141 G 4.1310 8.2486 111.1520 46.8920 0.0000 174.4795 142 Y 4.4656 8.8265 123.5526 57.2413 38.2195 175.8026 143 A 3.8732 7.5582 121.0545 52.5822 19.4712 178.9680 *156 G 3.8267 7.9816 105.4955 44.6767 0.0000 173.8995 157 T 4.5425 5.7900 104.2389 58.3476 72.2994 174.3727 158 P 4.8741 0.0000 0.0000 64.4242 31.6076 177.7549 159 Y 4.7329 7.2357 116.6299 59.0826 37.4177 175.5057 160 G 4.8049 7.3657 107.4283 45.4028 0.0000 172.1380 161 A 4.7172 8.9964 123.0143 52.2994 19.4810 176.9146 162 T 5.3484 8.3329 109.1798 60.5969 72.5598 172.7272 163 T 4.9036 8.7669 116.0860 60.5658 71.7069 172.7149 164 I 4.3384 8.2570 126.8372 60.1515 37.7094 175.1174 165 A 4.9764 8.6157 129.3643 49.4263 20.8075 176.3796 *170 S 4.3369 8.6447 114.4915 58.0958 65.2740 174.8424 171 R 3.9687 7.5734 121.8991 55.7051 30.3247 175.6157 172 Q 4.4665 8.3197 124.0893 54.0246 30.0668 173.8714 173 P 4.5349 0.0000 0.0000 62.2541 32.0300 177.5457 174 S 4.4360 8.8926 117.9654 57.9702 65.2136 175.5307 175 Q 4.0089 8.5392 121.2262 59.0807 28.4781 179.1150 176 E 3.9410 8.0691 119.1988 59.5193 29.6299 179.0274 177 E 4.0135 8.2091 118.5793 59.4390 29.4322 179.4913 178 L 4.0236 8.1162 119.0509 57.7052 41.5534 179.6519 179 S 4.1690 8.2820 115.3972 61.5726 62.6406 176.8229 180 I 3.7825 7.7490 121.9434 64.1019 36.8701 178.1557 181 A 3.8860 8.1010 121.7219 55.1880 18.2077 179.6026 182 R 3.9623 8.2985 117.4887 59.6600 30.1251 177.8055 183 Y 4.0263 8.2838 119.6227 60.8766 38.7424 177.8926 184 Q 4.1112 8.4833 120.4690 59.2525 29.1058 178.6239 185 G 3.5549 7.9759 106.4935 47.7533 0.0000 175.1441 186 E 3.9561 8.0805 122.0840 58.9700 29.6650 178.1328 187 Y 4.0800 8.0604 119.7040 60.7765 38.7809 178.2391 188 V 3.1929 7.7615 118.7785 65.8781 31.6116 177.7334 189 A 4.0399 8.1458 120.6764 55.1542 18.1059 179.8722 190 G 3.5166 8.0918 104.2455 47.7294 0.0000 175.7379 191 L 3.8530 7.7739 122.5062 57.7164 42.0044 178.7893 192 A 3.9526 8.0418 120.8489 55.3191 18.1000 179.8538 193 V 3.5010 7.6756 115.3992 65.9488 31.6810 177.7448 194 K 4.0233 8.0417 118.6312 59.3747 32.0660 178.0344 195 L 4.2138 7.8369 119.4948 56.6350 42.2216 176.1385 196 N 4.6002 8.2656 120.2581 53.2663 39.1210 173.9581 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 A 8.02 4.56 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 2 K 8.68 4.71 0.00 1.78 1.76 0.00 1.50 0.00 0.00 1.41 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.48 1.40 7.81 3 V 9.33 4.86 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 1.00 0.00 0.00 0.94 0.00 0.00 4 L 8.69 4.57 0.00 0.27 0.86 0.53 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.70 4.61 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 1.17 0.00 0.00 0.90 0.00 0.00 6 L 8.79 5.20 0.00 1.44 1.07 0.55 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.32 5.38 0.00 2.97 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 8 Y 8.73 4.90 0.00 2.90 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 9 S 7.53 4.23 0.00 3.91 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 10 M 8.39 3.81 0.00 1.28 1.78 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.68 0.00 11 Y 7.82 4.42 0.00 2.90 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 12 G 8.16 3.98 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 0.00 0.00 0.00 13 H 8.04 4.27 0.00 3.27 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.72 3.79 1.94 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 1.56 1.12 0.97 0.00 0.00 15 E 7.94 2.95 0.00 1.81 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 2.08 2.14 0.00 16 T 8.06 3.77 4.38 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 0.00 0.00 0.00 1.19 0.00 0.00 17 M 8.20 3.96 0.00 2.04 2.44 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.85 0.00 18 A 8.59 3.80 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 19 R 8.08 3.79 0.00 1.79 1.93 0.00 3.07 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 20 A 7.80 3.89 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 21 V 7.81 3.54 1.88 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 0.94 0.00 0.00 0.09 0.00 0.00 22 A 8.13 3.91 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 23 E 8.23 3.96 0.00 2.08 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 2.30 2.31 0.00 24 G 8.19 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 25 A 8.17 4.13 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 26 S 8.00 4.21 0.00 4.00 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 27 K 7.59 4.22 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.63 7.81 28 V 7.43 3.89 2.20 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 0.92 0.00 0.00 0.93 0.00 0.00 29 D 8.61 4.44 0.00 2.66 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 30 G 9.24 3.93 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 0.00 0.00 0.00 31 A 7.60 4.86 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 32 E 10.11 4.49 0.00 2.06 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 0.00 2.27 2.25 0.00 33 V 8.42 4.93 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 0.90 0.00 0.00 0.96 0.00 0.00 34 V 8.92 4.63 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 0.79 0.00 0.00 0.90 0.00 0.00 35 V 8.41 4.91 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 1.01 0.00 0.00 0.94 0.00 0.00 36 K 9.16 4.91 0.00 1.50 1.57 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.31 1.28 7.81 37 R 8.32 4.33 0.00 1.22 0.85 0.00 2.74 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.36 0.00 38 V 7.82 3.80 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 -0.15 0.00 0.00 0.86 0.00 0.00 39 P 0.00 4.35 0.00 2.08 2.02 0.00 3.81 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 40 E 8.57 4.14 0.00 1.97 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 2.32 2.39 0.00 41 T 8.11 4.37 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 1.15 0.00 0.00 *52 G 7.80 3.80 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 0.00 0.00 0.00 53 K 7.90 4.53 0.00 1.98 1.69 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.38 7.81 54 T 8.39 4.04 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 55 Q 8.71 4.29 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 56 T 8.13 4.38 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 1.30 0.00 0.00 57 A 7.75 4.30 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 58 P 0.00 4.47 0.00 2.08 1.99 0.00 3.78 0.00 0.00 3.83 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 59 V 8.20 4.39 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 0.67 0.00 0.00 0.94 0.00 0.00 60 A 8.69 4.75 1.14 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 0.00 0.00 61 T 9.27 4.81 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 1.28 0.00 0.00 62 P 0.00 3.81 0.00 2.00 1.81 0.00 3.53 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.26 0.00 63 Q 8.04 4.19 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 64 E 8.25 4.13 0.00 2.37 2.25 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 2.44 2.47 0.00 65 L 8.07 4.18 0.00 1.82 1.89 1.25 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.92 4.19 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 67 D 8.12 4.45 0.00 2.38 2.30 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 68 Y 7.40 4.63 0.00 2.99 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.92 0.00 77 T 8.36 4.29 4.22 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 1.29 0.00 0.00 78 R 8.98 3.95 0.00 1.68 1.66 0.00 2.97 0.00 0.00 2.98 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.11 0.00 79 F 9.03 3.82 0.00 3.26 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 80 G 8.47 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 81 N 7.68 4.97 0.00 2.82 2.73 0.00 0.00 6.93 7.81 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 82 M 8.29 4.40 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 83 S 8.60 4.31 0.00 3.98 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 84 G 8.53 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 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120 E 8.08 4.03 0.00 2.08 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 0.00 2.72 2.51 0.00 121 Q 7.87 3.92 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 122 T 8.02 3.87 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 1.20 0.00 0.00 123 I 7.36 3.49 1.71 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.92 0.45 0.00 0.00 124 T 7.34 2.82 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 0.12 0.00 0.00 125 S 8.12 4.19 0.00 4.01 4.10 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 0.00 126 T 7.71 3.82 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 1.06 0.00 0.00 127 W 8.17 4.49 0.00 3.56 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 0.00 128 T 7.66 4.00 4.31 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 1.36 0.00 0.00 129 T 7.78 4.02 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 1.18 0.00 0.00 130 L 8.25 4.11 0.00 1.70 1.71 0.53 0.46 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 0.00 131 A 8.58 4.07 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 0.00 132 H 8.03 4.23 0.00 3.31 3.45 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 8.34 4.92 0.00 3.50 3.45 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.31 3.54 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 0.00 0.00 0.00 135 M 7.81 4.51 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.77 0.00 136 V 8.52 3.77 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 0.67 0.00 0.00 0.83 0.00 0.00 137 I 8.10 4.51 1.42 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.69 -0.48 0.00 0.00 138 V 8.58 4.27 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 0.68 0.00 0.00 0.87 0.00 0.00 139 P 0.00 5.18 0.00 2.63 2.43 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 140 I 8.52 4.49 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.00 1.25 0.00 0.00 141 G 8.25 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 0.00 0.00 0.00 0.00 142 Y 8.83 4.47 0.00 2.99 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 0.00 143 A 7.56 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *156 G 7.98 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 0.00 0.00 0.00 157 T 5.79 4.54 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 1.24 0.00 0.00 158 P 0.00 4.87 0.00 2.15 2.25 0.00 3.25 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.66 0.00 159 Y 7.24 4.73 0.00 3.01 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 0.00 160 G 7.37 4.80 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 0.00 0.00 0.00 161 A 9.00 4.72 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 0.00 162 T 8.33 5.35 4.40 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 1.28 0.00 0.00 163 T 8.77 4.90 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 1.27 0.00 0.00 164 I 8.26 4.34 1.86 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 1.17 0.71 0.90 0.00 0.00 165 A 8.62 4.98 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 *170 S 8.64 4.34 0.00 3.97 3.98 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 0.00 171 R 7.57 3.97 0.00 1.82 1.77 0.00 3.13 0.00 0.00 3.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 172 Q 8.32 4.47 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 173 P 0.00 4.53 0.00 2.03 2.00 0.00 3.75 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 174 S 8.89 4.44 0.00 4.21 3.98 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 0.00 175 Q 8.54 4.01 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 176 E 8.07 3.94 0.00 2.04 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 0.00 2.38 2.44 0.00 177 E 8.21 4.01 0.00 2.15 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 0.00 2.44 2.35 0.00 178 L 8.12 4.02 0.00 1.81 1.68 0.90 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 0.00 179 S 8.28 4.17 0.00 4.02 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 0.00 180 I 7.75 3.78 2.03 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 1.42 0.65 0.97 0.00 0.00 181 A 8.10 3.89 1.23 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 0.00 182 R 8.30 3.96 0.00 2.06 2.04 0.00 3.11 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 183 Y 8.28 4.03 0.00 3.14 3.21 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 0.00 184 Q 8.48 4.11 0.00 2.40 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 185 G 7.98 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.08 3.96 0.00 2.14 1.92 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 2.26 2.39 0.00 187 Y 8.06 4.08 0.00 2.10 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 0.00 188 V 7.76 3.19 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 0.97 0.00 0.00 0.95 0.00 0.00 189 A 8.15 4.04 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 0.00 190 G 8.09 3.52 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 0.00 0.00 0.00 0.00 191 L 7.77 3.85 0.00 1.78 1.50 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 192 A 8.04 3.95 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 0.00 193 V 7.68 3.50 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 0.87 0.00 0.00 0.96 0.00 0.00 194 K 8.04 4.02 0.00 2.01 1.90 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 195 L 7.84 4.21 0.00 1.91 1.66 0.91 0.83 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 0.00 196 N 8.27 4.60 0.00 2.80 2.64 0.00 0.00 6.88 7.88 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 * Residues marked with a * may have inaccurate shift predictions.