NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3040 8.1849 120.9899 56.0101 41.6127 175.4468 5 T 4.2078 8.2525 114.6814 62.4468 69.7123 172.7269 6 L 4.4324 8.2011 125.5681 54.1863 43.5687 176.0391 7 D 4.9286 8.4825 122.6233 50.8298 42.0964 177.0802 8 K 3.8142 8.6374 118.3993 60.8387 31.7267 178.9989 9 T 3.8740 8.2757 116.4781 66.6787 68.2720 176.4145 10 D 4.3932 8.4665 120.6782 57.0212 40.6333 179.0908 11 I 3.7731 7.5111 120.1418 64.2962 37.3107 177.8947 12 K 4.0372 7.9731 121.7204 58.9133 31.8872 178.5512 13 I 3.7752 7.5222 120.0757 64.4847 37.1079 178.1795 14 L 3.9888 7.6216 119.5065 57.9740 41.3661 179.4969 15 Q 3.9868 8.8333 118.9086 59.2225 28.6889 179.5057 16 V 3.6136 8.4440 119.5490 66.0564 31.3254 178.1056 17 L 4.0685 8.6302 119.1073 57.7886 41.2640 179.4003 18 Q 4.0502 8.5524 117.5151 58.2924 28.6064 177.7670 19 E 4.4873 7.5470 118.4060 56.7639 32.0409 176.1807 20 N 5.0128 8.2661 115.2462 51.5496 38.9088 175.2761 21 G 3.9181 8.1324 103.6327 46.6948 0.0000 171.8745 22 R 4.3711 7.5709 118.1645 55.6018 30.4296 175.2809 23 L 4.1695 7.4460 116.3960 54.8744 42.3703 176.9341 24 T 4.5074 7.9163 109.8588 60.3892 72.0084 175.1759 25 N 4.4158 8.6013 120.1603 56.6838 38.8405 177.4997 26 V 3.5425 7.6548 119.3218 65.9801 31.5941 177.5754 27 E 3.9058 8.0603 116.9649 59.3001 29.7661 178.6050 28 L 4.1079 8.4564 120.8553 58.3760 42.1340 179.2340 29 S 4.1334 8.0999 113.9078 61.4476 62.7463 175.6902 30 E 4.1622 8.0566 120.7896 57.4736 29.4096 177.5715 31 R 4.6403 7.5656 115.1436 56.4790 31.2540 176.1785 32 V 4.2206 7.4335 109.7629 59.7544 33.8341 175.3474 33 A 3.7760 8.1078 121.4346 53.1890 15.4511 176.5267 34 L 4.8564 7.1666 119.0192 51.5773 46.6277 177.7464 35 S 4.4295 8.3495 114.7707 56.9251 64.5490 172.9195 36 P 4.1827 0.0000 0.0000 66.4701 30.7173 178.5363 37 S 4.0070 7.9584 112.7653 60.3567 62.2022 174.1198 38 P 4.2985 0.0000 0.0000 65.5652 30.9281 178.1655 39 C 4.1318 8.0886 117.7420 62.4945 31.4487 175.3812 40 L 4.0225 7.9672 121.8131 57.8582 41.6807 179.0787 41 R 3.9125 8.0462 119.0080 59.5558 30.0928 178.7436 42 R 4.0119 7.6967 116.5573 58.9011 30.0329 178.8192 43 L 4.0078 8.0271 120.5389 57.7201 41.9944 178.8659 44 K 3.9259 7.8432 119.5860 59.6529 32.1722 178.3380 45 Q 3.9866 7.8216 117.8746 59.4413 28.2686 179.4550 46 L 3.9783 7.8796 119.3248 57.9962 41.4324 179.7322 47 E 3.9460 7.9368 117.2236 59.4817 29.7764 178.7680 48 D 4.5419 8.3024 118.7922 57.1785 41.0121 180.0229 49 A 4.4106 8.2839 121.2290 51.9380 18.4223 179.6931 50 G 3.9649 8.6902 109.1564 48.1685 0.0000 176.0144 51 I 3.6304 7.7857 120.0023 63.7379 37.1188 176.2201 52 V 4.0249 7.0976 120.4899 61.1053 30.6809 175.2373 53 R 4.1133 8.1466 124.0915 57.4529 30.2312 176.6259 54 Q 4.3058 7.1315 115.5501 55.6189 31.5039 171.9331 55 Y 4.7565 8.5978 121.5129 56.3186 39.5167 175.1419 56 A 4.6416 8.4259 126.1864 50.2174 22.4295 174.9379 57 A 4.4386 8.4581 123.5046 50.6150 19.3576 177.2129 58 L 4.2936 8.3755 123.6643 54.4262 42.2322 177.2923 59 L 4.3135 8.2189 123.7658 53.7995 43.3281 176.6534 60 S 4.5101 8.2081 116.2614 56.9609 62.9645 173.6544 61 P 3.8984 0.0000 0.0000 65.6251 31.5548 178.8041 62 E 3.9096 8.2586 117.1260 59.4044 29.6405 178.9439 63 S 4.0750 7.6937 112.0062 60.9123 62.3548 175.1335 64 V 4.2336 7.4130 112.0974 61.1107 31.7299 175.6542 65 N 4.0717 8.3119 115.6410 54.1644 38.1649 173.1290 66 L 4.5937 7.9969 117.5464 54.5487 40.7540 176.4135 67 G 3.8380 8.5585 111.8612 47.9817 0.0000 172.0145 68 L 4.4244 8.0975 125.6232 54.2357 43.1443 175.5250 69 Q 4.4200 8.7499 128.8148 54.5163 30.6053 173.7159 70 A 4.6972 8.9543 129.2666 50.0705 22.0400 175.2702 71 F 5.2502 8.7999 121.3053 56.0630 41.1543 174.4684 72 I 4.6533 9.0767 126.4059 59.7014 39.2277 175.4800 73 R 4.8417 9.2778 128.1052 55.3053 30.7288 176.3833 74 V 4.7043 8.4955 124.3436 61.4880 34.7377 174.5141 75 S 4.9625 9.1275 117.8928 56.4957 65.1524 173.3752 76 I 4.2571 8.2523 127.9554 60.4436 38.7907 175.2485 77 R 4.0925 8.2786 126.1602 55.8545 30.8459 176.9515 78 K 4.2320 8.4316 125.7398 54.8521 30.6124 174.7826 79 A 4.6948 7.4896 124.3938 50.0011 22.6417 174.9633 80 K 4.3318 8.4317 118.7286 56.5489 33.4678 176.3473 81 D 5.3855 9.1729 122.4624 54.7087 38.9571 175.5326 82 A 4.1061 7.6198 123.8768 55.3991 18.4009 180.8268 83 R 4.0706 7.9992 115.8454 58.7932 30.2960 178.9765 84 E 3.9642 7.9952 118.3982 59.3883 29.7221 178.3046 85 D 4.3783 8.0973 118.7742 57.5438 40.8914 178.6261 86 F 3.8180 8.0463 120.0380 61.2743 39.3009 176.6111 87 A 3.5944 7.7839 119.4604 55.3736 17.9604 179.3962 88 A 3.7945 8.0238 117.6968 55.2899 18.6235 179.8978 89 S 3.6354 7.7138 113.6637 61.5910 62.3949 177.1557 90 V 2.9521 6.8079 120.7239 65.3534 30.8526 178.0281 91 R 3.9326 7.3227 116.7763 57.9369 29.9466 177.8055 92 K 4.5473 7.7059 116.5079 55.0776 33.1200 176.4439 93 W 5.0028 7.2833 120.0987 54.4471 28.6036 175.0718 94 P 4.3438 0.0000 0.0000 65.1710 31.2393 178.2777 95 E 3.6948 8.1296 115.8116 57.9935 29.7181 176.3562 96 V 4.3407 7.3513 119.6624 61.4644 32.2808 175.0936 97 L 4.4957 8.4954 128.2260 56.7681 42.4788 177.1555 98 S 4.6991 7.6631 111.1872 56.9312 67.2403 172.7439 99 C 5.0629 7.2928 117.2742 58.8385 34.2384 172.8879 100 F 5.0697 9.2635 124.6623 55.6105 42.8812 173.9480 101 A 4.3036 9.0073 125.4365 51.4702 18.6283 176.6348 102 L 4.7079 8.0533 122.1438 53.6135 44.2853 177.2198 103 T 4.0423 8.2292 117.2524 64.1082 69.4735 175.2368 104 G 3.8437 8.3965 108.3794 44.3638 0.0000 172.8397 105 E 4.0196 8.6050 117.0909 59.5315 29.6824 177.7743 106 T 4.1658 7.6625 115.7034 63.3217 69.2126 174.0587 107 D 4.4696 8.9065 126.9972 57.1430 42.1895 176.0149 108 Y 5.3206 8.0422 114.0120 56.1468 43.0205 174.1511 109 L 5.3695 9.5154 123.9214 53.4770 45.5102 174.9978 110 L 5.3477 9.2966 126.2448 53.0584 45.1206 175.3297 111 Q 5.0266 8.8548 124.0605 54.6120 30.6643 173.9973 112 A 5.0409 8.8810 128.4042 49.9437 22.8990 174.3430 113 F 5.2360 8.5261 117.7219 55.8385 42.0737 175.0468 114 F 4.8361 9.5170 120.2623 56.3080 43.6459 175.7287 115 T 3.9936 9.2444 116.3782 67.2557 68.9048 175.1198 116 D 4.4749 8.3414 122.2373 54.3143 46.8054 176.1271 *118 N 4.5776 9.7280 115.2930 52.6815 41.7130 176.1353 119 A 4.0677 8.3633 119.1264 55.4706 18.4367 179.3216 120 F 3.1575 8.1040 118.6505 61.3762 39.4244 177.1228 121 S 4.0913 8.2746 114.1727 62.1473 62.6804 176.1735 122 H 4.0291 8.5463 120.8563 59.2773 29.6455 176.7208 123 F 4.0401 8.2397 122.4931 61.3221 39.1642 176.9061 124 V 2.9075 7.6122 117.8023 65.9808 31.0782 178.1010 125 L 3.8895 7.6154 117.3515 57.2861 41.5749 177.9839 126 D 4.7577 7.3777 115.0620 54.2451 41.2366 176.3185 127 T 4.5429 7.0574 115.5964 65.0225 75.7292 175.7039 128 L 3.5493 6.4776 121.3511 58.0254 42.0638 178.4390 129 L 4.1495 7.7987 117.6736 56.9313 41.8261 178.8385 130 S 4.2071 7.8404 112.7512 60.8038 63.4058 174.4717 131 H 4.1468 7.9684 121.3970 56.4838 30.0954 175.3800 132 H 4.2372 8.9033 122.3269 58.8360 28.6929 176.8629 133 G 3.6671 7.9070 106.4816 47.8095 0.0000 173.4086 134 V 3.8983 7.4661 121.1344 62.9107 31.0466 175.4089 135 Q 4.3117 8.5578 130.5341 58.2082 30.1189 175.4268 136 D 4.8298 7.6800 116.1918 52.9294 44.7358 173.9912 137 A 5.2060 8.4084 125.4168 50.5584 22.8858 175.5089 138 Q 4.5567 8.9189 121.3774 55.3318 32.5763 173.3367 139 S 5.2133 8.8157 120.9208 56.6745 66.1042 173.3887 140 S 4.7318 8.8658 117.7058 56.7168 66.5392 172.8665 141 F 5.1215 8.3902 119.3026 55.4750 42.0494 175.3318 142 V 3.8364 8.2779 123.2506 62.8534 31.0239 176.0267 143 L 4.2238 8.7971 129.1377 57.2845 42.0205 177.8137 144 K 4.3522 7.5971 117.4206 55.1727 34.9242 174.6648 145 E 4.3582 8.7063 127.7331 55.1233 28.7432 175.7275 146 I 3.9293 8.3382 128.0058 63.8782 37.5907 177.0516 147 K 4.3635 7.6728 116.8378 55.8999 34.6723 174.2713 148 H 4.6267 8.5593 125.4172 55.8333 31.2555 172.2570 149 T 4.6468 8.1090 120.7488 60.5426 70.4099 173.4733 150 T 4.2288 8.2687 114.3978 61.8509 69.7410 174.6996 151 S 4.5481 8.0060 118.3961 57.6595 62.2812 173.7299 152 L 4.2682 8.4914 128.7388 53.6356 42.0900 175.5169 153 P 4.5392 0.0000 0.0000 63.0527 32.2704 176.2678 154 L 4.8771 8.2154 116.3016 54.2780 44.4474 178.1712 155 N 4.4290 8.2468 117.2129 56.2737 38.6513 176.2163 156 H 4.4649 8.3973 110.3610 56.3158 28.2611 175.4941 157 L 4.5202 7.5471 118.1355 54.6904 42.8316 176.5124 158 L 4.2030 7.9216 124.2003 54.9188 41.5926 176.4973 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 4 L 8.18 4.30 0.00 1.75 1.78 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.25 4.21 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 1.20 0.00 0.00 6 L 8.20 4.43 0.00 1.62 1.60 0.91 1.01 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 7 D 8.48 4.93 0.00 2.88 2.78 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 8 K 8.64 3.81 0.00 2.00 2.14 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.56 7.81 9 T 8.28 3.87 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 1.22 0.00 0.00 10 D 8.47 4.39 0.00 2.83 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 11 I 7.51 3.77 2.02 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 1.69 1.19 0.97 0.00 0.00 12 K 7.97 4.04 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.36 7.81 13 I 7.52 3.78 2.08 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 1.54 0.64 0.95 0.00 0.00 14 L 7.62 3.99 0.00 1.84 1.74 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.83 3.99 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 16 V 8.44 3.61 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 0.98 0.00 0.00 17 L 8.63 4.07 0.00 1.91 1.82 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.55 4.05 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 19 E 7.55 4.49 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 20 N 8.27 5.01 0.00 2.77 2.69 0.00 0.00 6.86 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 21 G 8.13 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 22 R 7.57 4.37 0.00 1.71 1.84 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 23 L 7.45 4.17 0.00 1.65 1.59 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.92 4.51 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 1.22 0.00 0.00 25 N 8.60 4.42 0.00 2.84 2.85 0.00 0.00 6.62 7.71 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 26 V 7.65 3.54 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 1.01 0.00 0.00 0.92 0.00 0.00 27 E 8.06 3.91 0.00 2.08 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 2.34 2.31 0.00 28 L 8.46 4.11 0.00 1.82 1.87 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.10 4.13 0.00 4.38 4.11 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 0.00 0.00 0.00 0.00 30 E 8.06 4.16 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 31 R 7.57 4.64 0.00 1.94 1.91 0.00 3.16 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 32 V 7.43 4.22 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 0.69 0.00 0.00 1.06 0.00 0.00 33 A 8.11 3.78 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 34 L 7.17 4.86 0.00 1.58 1.52 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.35 4.43 0.00 3.89 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 36 P 0.00 4.18 0.00 2.29 2.32 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 37 S 7.96 4.01 0.00 3.91 3.89 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 38 P 0.00 4.30 0.00 2.20 2.10 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 39 C 8.09 4.13 0.00 3.16 3.22 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 40 L 7.97 4.02 0.00 1.96 1.77 0.93 0.96 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 41 R 8.05 3.91 0.00 2.06 1.91 0.00 3.15 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 1.63 1.67 0.00 42 R 7.70 4.01 0.00 2.07 2.14 0.00 3.22 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 43 L 8.03 4.01 0.00 1.76 1.70 0.98 0.58 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 44 K 7.84 3.93 0.00 1.86 1.96 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.54 7.81 45 Q 7.82 3.99 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 46 L 7.88 3.98 0.00 1.94 1.74 0.98 0.99 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 47 E 7.94 3.95 0.00 2.16 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 2.31 2.62 0.00 48 D 8.30 4.54 0.00 2.68 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 49 A 8.28 4.41 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 50 G 8.69 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 0.00 0.00 0.00 51 I 7.79 3.63 2.01 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 1.18 0.70 0.90 0.00 0.00 52 V 7.10 4.02 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 0.25 0.00 0.00 0.89 0.00 0.00 53 R 8.15 4.11 0.00 1.91 2.00 0.00 3.12 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 54 Q 7.13 4.31 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 55 Y 8.60 4.76 0.00 3.00 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 56 A 8.43 4.64 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 57 A 8.46 4.44 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 58 L 8.38 4.29 0.00 1.64 1.64 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.22 4.31 0.00 1.54 1.53 0.87 0.95 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 60 S 8.21 4.51 0.00 3.84 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 61 P 0.00 3.90 0.00 2.05 1.46 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.78 0.00 62 E 8.26 3.91 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 2.41 2.37 0.00 63 S 7.69 4.07 0.00 3.84 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 64 V 7.41 4.23 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 0.71 0.00 0.00 0.91 0.00 0.00 65 N 8.31 4.07 0.00 2.95 2.85 0.00 0.00 7.24 6.18 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 66 L 8.00 4.59 0.00 1.48 1.63 0.68 1.12 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 67 G 8.56 3.84 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 0.00 0.00 0.00 68 L 8.10 4.42 0.00 1.91 1.82 0.62 0.38 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 69 Q 8.75 4.42 0.00 2.07 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 70 A 8.95 4.70 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 71 F 8.80 5.25 0.00 2.89 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 72 I 9.08 4.65 2.09 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.01 1.07 0.00 0.00 73 R 9.28 4.84 0.00 1.90 1.93 0.00 3.12 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 74 V 8.50 4.70 2.15 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 0.85 0.00 0.00 1.14 0.00 0.00 75 S 9.13 4.96 0.00 3.84 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.25 4.26 1.91 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.76 0.96 0.00 0.00 77 R 8.28 4.09 0.00 2.05 1.82 0.00 3.33 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 78 K 8.43 4.23 0.00 1.76 1.72 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.37 7.81 79 A 7.49 4.69 1.24 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 0.00 0.00 0.00 80 K 8.43 4.33 0.00 1.81 1.69 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.46 7.81 81 D 9.17 5.39 0.00 2.94 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 82 A 7.62 4.11 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 83 R 8.00 4.07 0.00 1.96 2.16 0.00 3.22 0.00 0.00 3.50 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.82 0.00 84 E 8.00 3.96 0.00 2.23 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 2.41 2.47 0.00 85 D 8.10 4.38 0.00 2.83 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 86 F 8.05 3.82 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 87 A 7.78 3.59 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.02 3.79 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.71 3.64 0.00 3.17 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 90 V 6.81 2.95 1.54 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 0.98 0.00 0.00 -0.24 0.00 0.00 91 R 7.32 3.93 0.00 1.83 1.84 0.00 3.08 0.00 0.00 3.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 92 K 7.71 4.55 0.00 1.51 1.77 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.31 7.81 93 W 7.28 5.00 0.00 3.54 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 94 P 0.00 4.34 0.00 2.03 2.12 0.00 3.80 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 95 E 8.13 3.69 0.00 1.16 1.76 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 1.80 1.47 0.00 96 V 7.35 4.34 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 0.95 0.00 0.00 1.12 0.00 0.00 97 L 8.50 4.50 0.00 1.78 1.78 1.10 1.03 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 98 S 7.66 4.70 0.00 3.82 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 99 C 7.29 5.06 0.00 2.89 2.64 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 0.00 100 F 9.26 5.07 0.00 3.05 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 0.00 101 A 9.01 4.30 0.92 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 0.00 102 L 8.05 4.71 0.00 1.67 1.56 0.92 0.90 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 0.00 103 T 8.23 4.04 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 1.18 0.00 0.00 104 G 8.40 3.84 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 0.00 0.00 0.00 105 E 8.60 4.02 0.00 1.96 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 2.31 2.32 0.00 106 T 7.66 4.17 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 1.29 0.00 0.00 107 D 8.91 4.47 0.00 2.83 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 0.00 108 Y 8.04 5.32 0.00 2.95 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 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2.94 0.00 0.00 6.65 7.93 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 0.00 119 A 8.36 4.07 1.55 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 0.00 120 F 8.10 3.16 0.00 2.83 2.95 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 0.00 121 S 8.27 4.09 0.00 4.07 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 0.00 122 H 8.55 4.03 0.00 3.24 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.24 4.04 0.00 3.17 2.81 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 0.00 0.00 0.00 0.00 124 V 7.61 2.91 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 0.84 0.00 0.00 -0.02 0.00 0.00 125 L 7.62 3.89 0.00 1.70 1.61 0.89 0.92 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 0.00 126 D 7.38 4.76 0.00 2.41 2.50 0.00 0.00 0.00 0.00 0.00 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0.00 0.69 0.00 0.00 0.95 0.00 0.00 135 Q 8.56 4.31 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.33 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 136 D 7.68 4.83 0.00 2.74 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 0.00 0.00 0.00 0.00 137 A 8.41 5.21 1.19 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 0.00 0.00 138 Q 8.92 4.56 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 139 S 8.82 5.21 0.00 3.66 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 0.00 140 S 8.87 4.73 0.00 3.74 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 0.00 141 F 8.39 5.12 0.00 2.86 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 0.00 142 V 8.28 3.84 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 0.83 0.00 0.00 1.02 0.00 0.00 143 L 8.80 4.22 0.00 1.72 1.74 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.60 4.35 0.00 1.69 1.66 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.45 7.81 145 E 8.71 4.36 0.00 2.03 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 2.33 2.40 0.00 146 I 8.34 3.93 1.90 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 1.33 0.94 0.93 0.00 0.00 147 K 7.67 4.36 0.00 1.69 1.65 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.41 7.81 148 H 8.56 4.63 0.00 3.14 3.37 0.00 5.92 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.11 4.65 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 1.21 0.00 0.00 150 T 8.27 4.23 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 1.21 0.00 0.00 151 S 8.01 4.55 0.00 3.90 3.84 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 0.00 152 L 8.49 4.27 0.00 1.71 1.59 0.93 0.93 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 0.00 153 P 0.00 4.54 0.00 2.15 2.03 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 154 L 8.22 4.88 0.00 1.68 1.66 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.25 4.43 0.00 2.85 2.89 0.00 0.00 6.86 8.16 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 0.00 156 H 8.40 4.46 0.00 3.27 3.38 0.00 5.48 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.55 4.52 0.00 1.60 1.64 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.92 4.20 0.00 1.65 1.57 0.93 0.57 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 * Residues marked with a * may have inaccurate shift predictions.