NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2917 8.1593 117.3743 63.5333 69.8472 173.9912 2 S 4.4334 8.3485 121.1754 56.0697 66.3488 173.4502 3 K 4.0373 9.2045 124.0990 59.6558 32.3178 179.9509 4 K 3.8732 8.0727 118.1747 59.6465 31.8207 178.7230 5 K 3.7890 7.6747 117.8854 59.5878 32.0345 177.8627 6 R 4.3005 7.5522 115.1360 56.8316 30.4675 178.0221 7 Q 4.2101 8.3294 119.4173 57.2451 28.4271 175.6313 8 R 3.9808 7.6236 118.5260 59.5769 29.8898 175.3526 9 G 4.1062 9.0470 113.5723 46.1784 0.0000 175.1235 10 S 3.8188 7.9084 113.2313 58.8259 62.5804 172.9112 11 R 3.9767 6.8816 122.1959 57.6876 29.9882 176.6915 12 T 4.0142 7.6120 108.4394 62.8433 69.5968 174.5516 13 H 4.0559 8.2356 117.9679 56.0568 26.7017 175.1034 14 G 3.8698 8.5379 103.3207 46.6259 0.0000 175.1132 15 G 3.9402 7.8749 106.0523 44.2782 0.0000 176.6454 16 G 3.8033 7.7826 106.8317 44.8546 0.0000 173.0096 17 S 4.0284 8.6477 114.4955 58.9905 62.6913 175.5706 18 H 4.4549 8.8548 120.9302 57.0373 28.3785 175.6377 19 K 4.1469 7.4383 119.2045 56.6492 31.3580 177.0847 20 N 4.3894 7.2000 116.6762 55.2761 39.7733 176.6049 21 R 4.3650 7.4001 119.2449 56.6247 29.7534 176.1868 22 R 4.1871 7.9953 121.6149 56.7659 29.6863 179.5273 23 G 4.2812 8.8347 122.0936 45.3446 0.0000 174.0679 24 A 4.2963 8.5870 120.3161 54.1465 18.5933 179.9622 25 G 3.6238 8.0287 104.2967 47.6286 0.0000 174.7000 26 H 4.5905 8.0705 118.1242 57.5131 30.0474 176.1007 27 R 4.5318 8.0279 117.9744 55.5272 30.9254 176.0298 28 G 3.8062 7.9128 106.4975 46.7827 0.0000 173.4268 29 G 4.1601 8.1920 104.8549 43.3801 0.0000 174.3535 30 R 4.1340 8.6705 120.6700 56.4653 31.7640 176.5010 31 G 3.7977 8.3659 112.6926 47.4532 0.0000 173.6860 32 D 4.7219 8.5795 123.7906 54.0960 40.8410 175.6785 33 A 4.1363 7.3883 123.3313 53.9916 18.7587 179.0949 34 G 3.7045 8.9870 110.6937 44.9953 0.0000 175.1546 35 R 4.3026 7.9856 116.4177 57.2855 29.3009 177.6133 36 D 4.8104 7.9494 115.6729 52.8087 42.8115 176.7587 37 K 4.3088 8.2331 116.5770 56.7274 31.8666 176.8676 38 H 4.3259 9.9441 119.9079 58.9285 29.7963 177.0410 39 E 4.5861 7.7956 120.0589 54.9225 28.7987 177.4616 40 F 5.0552 7.1674 114.7894 58.9124 39.1592 175.9680 41 H 3.9636 6.8706 117.2714 57.6257 28.7535 174.2150 42 N 4.2633 8.9380 119.0041 54.7410 36.0706 173.8560 43 H 4.8529 7.8800 113.0615 53.5326 31.8047 173.9049 44 E 4.0444 8.9549 124.3048 55.6749 29.8749 175.2126 45 P 4.3388 0.0000 0.0000 63.0022 31.6207 175.9130 46 L 4.1651 8.0364 119.0557 54.8283 42.3854 175.2383 47 G 3.7815 8.1359 105.4261 44.2174 0.0000 173.0995 48 K 4.6924 8.2319 117.6810 54.6736 34.7989 176.1859 49 S 4.4578 8.3154 115.1918 57.9417 65.6758 175.4430 50 G 4.0034 9.3215 117.0110 46.0045 0.0000 171.5128 51 F 4.8400 8.2951 114.2410 56.1488 40.5376 173.0506 52 K 4.2477 8.2730 119.2546 54.4601 35.2876 176.0610 53 R 4.6736 7.9409 119.7627 53.4121 32.1370 174.7108 54 P 4.2006 0.0000 0.0000 63.4913 31.2187 176.8947 55 Q 3.8942 8.9799 121.5793 59.0169 28.7618 178.7097 56 K 4.4623 7.9300 114.0245 56.8173 32.6761 176.9667 57 V 4.2584 8.0860 116.7769 62.9943 32.2147 174.8983 58 Q 4.4442 7.5849 117.2452 54.9881 29.5225 174.7792 59 E 4.2850 8.6520 123.1336 54.9780 30.7841 174.9385 60 E 4.4393 8.4669 124.8250 54.3659 31.4179 174.2415 61 A 4.2023 8.2331 129.1574 50.9118 20.2590 176.2306 62 A 4.3853 8.8979 125.5358 51.3608 19.6325 176.5826 63 T 5.5303 8.2357 112.0372 60.1386 71.8146 173.7165 64 I 4.5229 7.8744 120.8506 60.1301 41.7785 172.7528 65 D 5.1942 8.6404 127.9785 53.3435 42.5541 177.5412 66 V 3.5647 8.6054 117.6141 65.0355 31.6681 178.7920 67 R 3.9088 7.7435 117.9413 59.7563 29.5116 177.9568 68 E 3.8968 8.2911 118.2597 59.2307 30.0904 178.4471 69 I 3.8043 7.6762 119.3010 64.5584 37.0032 177.6596 70 D 4.3226 8.5847 118.9719 57.5293 40.8706 178.1366 71 E 4.1429 8.2539 117.4135 58.2354 29.5733 177.3501 72 N 5.0016 7.7207 115.1736 52.8459 39.9674 176.6663 73 V 3.3097 7.4519 113.6950 64.7532 31.6781 177.8703 74 T 4.0022 7.6777 107.7235 64.7479 68.4537 175.4369 75 L 4.0851 7.7715 120.5264 56.9945 42.0529 177.2882 76 L 4.3526 7.6432 119.8901 53.7636 41.2614 178.3414 77 A 3.9992 8.0699 122.2978 55.1994 18.7689 178.0282 78 A 4.5057 7.7260 117.9568 51.9311 19.0440 177.4328 79 D 4.6073 8.2346 120.2428 55.9741 45.5175 175.9301 80 D 4.2801 7.6484 122.3472 49.0213 42.1104 175.6915 81 V 4.5849 8.3216 121.1924 61.1410 34.2858 174.8254 82 A 4.2773 8.1462 133.1221 51.5232 20.1784 177.1531 83 E 3.8299 8.9957 109.9861 59.6108 30.0663 174.0488 *89 F 4.6231 7.7352 114.3893 58.0051 41.1050 174.1488 90 R 5.1260 8.7557 120.5021 54.7531 32.4215 174.8311 91 V 4.5198 8.7504 126.3876 59.8219 34.6953 174.4208 92 D 4.9441 8.6660 124.0269 52.9711 41.4535 176.5454 93 V 3.6110 8.7104 127.6410 66.3774 31.7243 178.1041 94 R 4.0631 7.6900 117.3235 59.7494 29.9633 177.9878 95 D 4.5463 7.7663 116.1291 55.6873 41.0412 178.4673 96 V 3.8408 8.6111 119.5543 64.2993 32.2885 176.3123 97 V 3.6269 7.2639 117.1053 63.0433 32.2830 175.4092 98 E 4.2711 8.5463 125.8102 56.8511 30.7037 177.1234 99 E 4.1153 9.0668 117.1779 57.1969 27.1191 175.9018 100 A 4.1241 7.5734 118.1092 52.9032 17.9670 177.6767 101 D 4.7575 8.2194 118.8231 57.1893 42.5751 177.9776 102 D 4.6897 8.0074 115.5368 53.4461 39.9406 175.0006 103 A 4.6482 7.3190 122.5237 50.6428 20.5290 177.9831 104 D 4.3898 8.6704 121.4848 55.1850 41.6688 175.5471 105 Y 4.7744 6.2420 118.3785 57.6589 41.5323 171.5807 106 V 4.8409 8.7867 120.7738 61.2094 33.9476 174.3293 107 K 4.6920 9.2968 128.7467 54.5894 35.3024 174.7594 108 V 4.5356 8.2651 127.8615 62.0186 33.1359 174.6994 109 L 4.6640 9.3457 127.6002 52.3748 44.7347 176.7789 110 G 4.3994 7.8215 108.4653 45.4003 0.0000 173.6347 111 A 4.5266 8.1783 121.8582 51.9525 21.4020 180.1473 112 G 3.8508 8.8097 108.3958 44.6106 0.0000 172.4118 113 Q 4.5546 8.2292 117.2498 54.1977 31.2177 175.7168 114 V 4.3047 7.8850 117.9801 61.6707 32.4069 174.8005 115 R 4.3758 8.7270 124.4121 56.3214 30.1554 176.0345 116 H 5.1703 7.7145 114.0191 53.7339 33.2241 172.8128 117 E 5.0693 8.8625 119.5518 55.7203 29.9865 176.3162 118 L 5.0537 8.6378 124.4691 53.1957 45.6291 175.8617 119 T 4.9722 9.0696 120.5993 62.2393 69.8207 173.0908 120 L 5.2615 8.9219 127.7382 52.9344 44.5797 175.9437 121 I 5.5768 8.8051 123.5990 59.0953 39.7898 174.4501 122 A 4.7748 8.6730 127.8345 50.7168 22.4144 175.6971 123 D 4.4170 8.5092 117.3671 56.9120 42.0429 176.6151 124 D 4.5512 7.0956 115.1303 53.3634 44.3735 174.2498 125 F 5.5459 9.1530 121.8088 54.6901 43.4966 173.9964 126 S 4.6682 8.5716 114.3487 56.9315 65.6077 174.1795 127 E 3.9351 9.2588 119.6729 60.1513 29.1597 179.7709 128 G 3.9515 8.2390 104.2000 48.2975 0.0000 175.0651 129 A 4.0878 7.9264 122.2443 55.4695 18.4358 179.2154 130 R 3.8412 8.2964 116.8561 58.5276 30.0757 178.8247 131 E 3.9062 8.5122 117.9707 59.8250 29.7779 180.0309 132 K 3.9196 8.1756 118.0243 59.7293 32.0585 179.6719 133 V 3.6708 8.0546 118.2527 65.4897 31.3513 177.7665 134 E 4.9322 7.9976 120.3030 58.1881 29.4088 178.8402 135 G 3.7661 8.5579 104.8015 46.5917 0.0000 173.6494 136 A 4.6648 7.6269 123.5093 51.8472 19.5351 176.9529 137 G 3.7124 8.2459 105.6852 48.5124 0.0000 174.2161 138 G 4.4437 7.7814 105.6389 43.8109 0.0000 172.6132 139 S 5.0933 8.8483 113.2212 56.2571 66.5827 173.1822 140 V 4.4780 8.2077 121.1043 61.1271 33.5202 174.2618 141 E 4.5641 9.7718 128.4179 54.3574 31.7524 174.9514 142 L 4.8167 8.5160 127.7900 54.6788 42.8287 176.6141 143 T 4.1078 8.8464 123.6240 63.7923 69.6722 175.2347 144 D 4.5917 8.7544 123.4733 56.9562 40.4895 178.9381 145 L 4.1187 7.9106 120.0616 57.8388 42.3955 178.7182 146 G 3.8020 8.0648 105.4594 46.2726 0.0000 175.7390 147 E 4.4244 7.9756 121.0314 56.6331 29.0513 177.0536 148 E 4.7927 8.8722 115.5435 56.2643 29.8857 178.5721 149 R 4.5412 7.6479 116.6512 51.9898 30.9632 176.1881 150 Q 4.3197 7.9729 121.4098 56.8324 29.3725 173.0807 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 T 8.16 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 2 S 8.35 4.43 0.00 4.10 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.20 4.04 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.54 7.81 4 K 8.07 3.87 0.00 1.84 1.87 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.52 7.81 5 K 7.67 3.79 0.00 1.76 2.06 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 6 R 7.55 4.30 0.00 1.96 1.93 0.00 3.21 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 1.63 1.83 0.00 7 Q 8.33 4.21 0.00 1.99 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.96 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 8 R 7.62 3.98 0.00 1.79 1.91 0.00 3.36 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.05 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 0.00 0.00 0.00 10 S 7.91 3.82 0.00 3.97 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 11 R 6.88 3.98 0.00 2.00 1.96 0.00 3.25 0.00 0.00 3.27 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 12 T 7.61 4.01 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 1.29 0.00 0.00 13 H 8.24 4.06 0.00 3.33 3.43 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.54 3.87 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 0.00 0.00 0.00 15 G 7.87 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 0.00 0.00 0.00 16 G 7.78 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 17 S 8.65 4.03 0.00 3.86 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 18 H 8.85 4.45 0.00 3.31 3.40 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.44 4.15 0.00 1.67 1.77 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.25 1.23 7.81 20 N 7.20 4.39 0.00 2.74 2.55 0.00 0.00 6.91 7.65 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 21 R 7.40 4.36 0.00 1.77 1.91 0.00 3.20 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 22 R 8.00 4.19 0.00 1.76 1.41 0.00 3.23 0.00 0.00 3.20 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 23 G 8.83 4.28 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 0.00 24 A 8.59 4.30 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 25 G 8.03 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.07 4.59 0.00 3.13 3.51 0.00 5.91 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.03 4.53 0.00 2.02 1.91 0.00 3.29 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 28 G 7.91 3.81 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 0.00 0.00 0.00 29 G 8.19 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.67 4.13 0.00 1.91 1.81 0.00 3.38 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 31 G 8.37 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 32 D 8.58 4.72 0.00 2.74 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 33 A 7.39 4.14 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 G 8.99 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 35 R 7.99 4.30 0.00 1.55 1.91 0.00 3.02 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 36 D 7.95 4.81 0.00 2.77 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 37 K 8.23 4.31 0.00 1.83 1.59 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.39 7.81 38 H 9.94 4.33 0.00 3.26 3.41 0.00 5.49 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.80 4.59 0.00 1.95 1.90 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 2.21 2.04 0.00 40 F 7.17 5.06 0.00 3.20 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 6.87 3.96 0.00 2.98 3.17 0.00 5.85 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 42 N 8.94 4.26 0.00 2.84 2.87 0.00 0.00 6.79 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 43 H 7.88 4.85 0.00 3.36 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.95 4.04 0.00 1.98 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 2.33 2.32 0.00 45 P 0.00 4.34 0.00 2.16 2.08 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 46 L 8.04 4.17 0.00 1.65 1.63 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.14 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 0.00 0.00 0.00 48 K 8.23 4.69 0.00 1.74 1.72 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 49 S 8.32 4.46 0.00 3.78 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 50 G 9.32 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 51 F 8.30 4.84 0.00 3.15 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 52 K 8.27 4.25 0.00 1.66 1.60 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.32 7.81 53 R 7.94 4.67 0.00 1.75 1.87 0.00 3.36 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 1.78 1.48 0.00 54 P 0.00 4.20 0.00 2.22 2.24 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 55 Q 8.98 3.89 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.10 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 56 K 7.93 4.46 0.00 1.86 1.88 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 V 8.09 4.26 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.58 4.44 0.00 2.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.46 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 59 E 8.65 4.29 0.00 1.94 1.79 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 2.56 2.30 0.00 60 E 8.47 4.44 0.00 1.94 1.71 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 2.17 2.20 0.00 61 A 8.23 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.90 4.39 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 63 T 8.24 5.53 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 1.20 0.00 0.00 64 I 7.87 4.52 1.85 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 1.34 1.29 0.89 0.00 0.00 65 D 8.64 5.19 0.00 2.64 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 66 V 8.61 3.56 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 0.86 0.00 0.00 1.04 0.00 0.00 67 R 7.74 3.91 0.00 1.82 2.06 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 68 E 8.29 3.90 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 69 I 7.68 3.80 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.91 0.00 0.00 70 D 8.58 4.32 0.00 2.73 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 71 E 8.25 4.14 0.00 1.98 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 2.57 0.00 72 N 7.72 5.00 0.00 2.67 2.70 0.00 0.00 6.81 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.45 3.31 0.70 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 0.47 0.00 0.00 0.28 0.00 0.00 74 T 7.68 4.00 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 1.17 0.00 0.00 75 L 7.77 4.09 0.00 1.72 1.76 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.64 4.35 0.00 1.85 1.80 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.07 4.00 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 78 A 7.73 4.51 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 79 D 8.23 4.61 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.65 4.28 0.00 3.01 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 4.58 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 0.36 0.00 0.00 0.96 0.00 0.00 82 A 8.15 4.28 1.13 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 83 E 9.00 3.83 0.00 2.00 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 2.24 1.94 0.00 *89 F 7.74 4.62 0.00 2.99 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 R 8.76 5.13 0.00 1.84 1.83 0.00 3.22 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 91 V 8.75 4.52 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 0.68 0.00 0.00 0.95 0.00 0.00 92 D 8.67 4.94 0.00 2.73 2.80 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 93 V 8.71 3.61 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 0.87 0.00 0.00 1.01 0.00 0.00 94 R 7.69 4.06 0.00 1.98 2.04 0.00 3.23 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 95 D 7.77 4.55 0.00 2.72 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 96 V 8.61 3.84 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 0.79 0.00 0.00 0.97 0.00 0.00 97 V 7.26 3.63 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.55 4.27 0.00 2.05 1.83 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 2.36 2.31 0.00 99 E 9.07 4.12 0.00 2.18 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 0.00 2.25 2.23 0.00 100 A 7.57 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.22 4.76 0.00 2.70 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 0.00 102 D 8.01 4.69 0.00 2.79 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 0.00 103 A 7.32 4.65 1.29 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 0.00 0.00 104 D 8.67 4.39 0.00 2.52 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 0.00 105 Y 6.24 4.77 0.00 3.35 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 0.00 106 V 8.79 4.84 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 107 K 9.30 4.69 0.00 1.95 1.67 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.45 7.81 108 V 8.27 4.54 1.86 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 1.04 0.00 0.00 0.76 0.00 0.00 109 L 9.35 4.66 0.00 1.77 1.53 0.92 0.93 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 0.00 110 G 7.82 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 0.00 0.00 0.00 0.00 111 A 8.18 4.53 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.23 4.55 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 114 V 7.88 4.30 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 0.97 0.00 0.00 0.95 0.00 0.00 115 R 8.73 4.38 0.00 1.66 1.82 0.00 3.10 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 116 H 7.71 5.17 0.00 3.04 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.86 5.07 0.00 1.91 2.19 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 2.36 2.27 0.00 118 L 8.64 5.05 0.00 1.61 1.58 1.01 0.79 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 0.00 119 T 9.07 4.97 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 1.23 0.00 0.00 120 L 8.92 5.26 0.00 1.67 1.88 1.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.81 5.58 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 1.17 0.75 1.00 0.00 0.00 122 A 8.67 4.77 0.72 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 0.00 0.00 123 D 8.51 4.42 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 0.00 124 D 7.10 4.55 0.00 2.42 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.15 5.55 0.00 2.85 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 0.00 126 S 8.57 4.67 0.00 3.92 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 0.00 127 E 9.26 3.94 0.00 2.05 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 0.00 2.43 2.44 0.00 128 G 8.24 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 0.00 0.00 0.00 129 A 7.93 4.09 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.30 3.84 0.00 2.05 1.87 0.00 3.17 0.00 0.00 3.10 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 131 E 8.51 3.91 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 132 K 8.18 3.92 0.00 2.04 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.66 7.81 133 V 8.05 3.67 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 1.04 0.00 0.00 1.05 0.00 0.00 134 E 8.00 4.93 0.00 2.01 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 2.36 2.34 0.00 135 G 8.56 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 0.00 0.00 0.00 136 A 7.63 4.66 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.25 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.78 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 5.09 0.00 3.82 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 0.00 140 V 8.21 4.48 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 -0.88 0.00 0.00 0.46 0.00 0.00 141 E 9.77 4.56 0.00 2.08 1.86 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 2.21 2.19 0.00 142 L 8.52 4.82 0.00 1.67 1.62 1.28 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.85 4.11 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 1.26 0.00 0.00 144 D 8.75 4.59 0.00 2.69 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 0.00 145 L 7.91 4.12 0.00 1.65 1.86 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.06 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 0.00 147 E 7.98 4.42 0.00 2.23 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 2.33 2.45 0.00 148 E 8.87 4.79 0.00 1.74 1.86 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 2.21 2.48 0.00 149 R 7.65 4.54 0.00 1.74 1.82 0.00 3.32 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 150 Q 7.97 4.32 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.