NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2268 8.3144 121.7893 55.6856 33.5550 175.2184 2 E 3.8032 8.6435 127.1332 55.0174 30.2019 174.8935 3 T 4.3772 8.6616 117.9621 60.8833 72.4224 175.1874 4 A 3.9846 8.5000 122.9709 55.3676 18.3836 179.8770 5 A 3.9822 7.9978 118.5324 55.2860 18.5503 179.5735 6 A 4.0213 8.1359 119.3901 55.1185 18.3994 179.7878 7 K 4.1441 8.3832 119.8248 58.9558 32.1907 178.8349 8 F 4.0640 8.4069 120.9959 61.4231 39.3780 176.9081 9 E 4.0265 8.4717 118.2286 59.5483 29.0313 179.4427 10 R 3.8969 7.9542 117.7817 59.3209 30.2380 178.1481 11 Q 4.0311 8.2198 117.1760 57.8019 28.8788 176.3859 12 H 4.6775 8.0395 113.8283 54.8543 30.9695 173.1644 13 M 4.5206 7.6491 119.3490 54.0142 33.5046 176.6511 14 D 4.7444 8.0619 121.3268 53.2577 42.1027 174.3147 15 S 4.3181 7.8265 117.0412 58.4997 63.9136 175.2122 16 S 4.3071 8.6466 121.1796 60.6019 63.1532 174.7052 17 T 4.3357 7.5643 109.6295 59.9805 70.0042 173.4511 18 S 4.1624 8.3641 118.0328 58.6251 61.2230 174.1323 *22 S 4.2203 7.9202 123.1544 62.2536 64.3224 178.9609 23 S 3.5895 7.1151 113.5028 60.1718 64.5329 173.9814 24 N 4.8515 7.9237 114.2081 53.2577 38.5326 176.0496 25 Y 4.0106 9.4726 123.7935 61.3993 38.7594 177.9962 26 C 4.2827 8.3947 116.9599 59.8856 40.0778 175.6515 27 N 4.4600 8.2554 116.7343 56.6717 38.2582 176.9216 28 L 4.1102 7.5683 118.6706 57.9676 41.8418 179.1441 29 M 3.9049 7.8835 118.0457 57.6974 33.2439 178.2612 30 M 4.3826 7.7748 119.9034 55.4043 27.4834 177.1887 *33 R 4.1816 7.3766 114.5020 55.2001 32.4044 175.5097 34 N 4.2504 8.1931 114.0547 54.9985 37.3114 174.2292 35 L 4.6448 8.3280 114.5305 54.3128 41.7883 177.4804 36 T 5.3638 7.5339 106.7085 60.1858 69.5422 175.0985 37 K 4.2213 8.5788 125.2248 59.7590 32.3395 177.1445 38 D 4.7157 7.6151 115.1515 54.0724 43.1330 175.5344 39 R 3.9117 7.1102 113.3361 55.2613 31.5450 174.1500 40 C 4.8897 8.7202 116.8552 55.9341 40.7577 173.7741 41 K 4.2545 8.5549 126.9078 55.6526 32.4683 174.7387 42 P 4.7605 0.0000 0.0000 64.9630 32.2558 176.5991 43 V 5.0493 7.5751 109.2543 60.2370 35.9729 174.0035 44 N 4.7401 8.7726 119.7802 53.0638 42.9038 173.1306 45 T 4.8463 7.5974 117.8745 61.6182 72.2048 173.3466 46 F 4.8569 9.0804 124.1967 55.6625 42.0165 174.5386 47 V 4.5261 8.4273 122.0597 61.6098 33.1757 174.8633 48 H 4.9329 9.1057 123.6195 55.7581 29.4797 174.8816 49 E 4.3611 8.1013 118.9159 55.0462 30.7185 176.7701 50 S 4.3665 8.2565 114.8482 58.3475 64.9186 174.9759 51 L 3.9664 8.4345 123.8495 58.2626 41.9245 179.0502 52 A 4.0351 7.9662 120.3451 55.2486 18.1481 179.1879 53 D 4.3258 8.0509 116.5728 57.4329 41.1987 178.8788 54 V 3.7404 7.8901 118.8028 66.1571 31.5824 178.1659 55 Q 3.9734 8.5869 118.0068 58.7657 28.4656 178.4857 56 A 4.0693 8.1365 121.4748 54.5239 18.3340 179.6315 57 V 3.4406 7.5855 116.9696 65.8557 31.3194 176.8358 58 C 3.9615 7.8118 114.7462 57.8550 39.8775 173.9646 59 S 4.6388 7.5838 114.9531 58.0172 64.1502 174.3646 60 Q 4.0175 7.5623 125.0088 56.2069 26.9251 178.6456 61 K 4.3598 8.3328 133.5513 56.4219 32.8770 173.9966 62 N 4.1409 8.7347 127.3064 53.4620 39.7216 174.2429 63 V 4.5627 8.3065 118.2442 59.4943 37.0669 174.2124 64 A 4.3575 8.3393 124.7099 51.9434 19.1286 178.5237 65 C 4.6975 8.9926 120.1618 56.2028 41.1327 175.1889 66 K 3.7791 8.9810 121.7681 59.6916 31.5982 178.1341 67 N 4.5871 8.0216 113.0510 52.9178 37.4433 175.6986 68 G 3.9996 8.2223 108.6242 45.5850 0.0000 174.6040 69 Q 4.1418 8.3584 119.3533 56.3659 29.1664 176.6634 70 T 4.3903 8.3776 110.0140 61.7382 69.3153 174.3687 71 N 5.0965 7.8472 119.2411 53.4610 38.6213 174.9609 72 C 5.2558 7.5747 115.7687 57.0445 43.6331 172.5560 73 Y 4.9822 8.8430 118.3902 56.4775 42.3393 173.8837 74 Q 5.0409 9.1882 125.7768 54.1862 31.1742 174.9691 75 S 4.3791 8.7873 121.8541 58.6648 63.2066 174.3187 76 Y 4.5366 8.6924 120.2539 60.6051 38.0480 176.2564 77 S 5.1096 7.8232 113.8368 56.5327 65.5511 174.5823 78 T 4.0988 8.3167 112.0046 62.1911 69.7323 173.3566 79 M 5.0631 9.0029 121.5212 53.3693 36.9006 174.7224 80 S 4.9235 9.4102 117.6435 58.3786 63.6999 173.1470 81 I 5.0808 8.8437 119.6683 59.7562 41.8376 173.8684 82 T 5.1276 8.9748 118.6796 61.9501 72.1618 172.8438 83 D 5.2387 9.5206 126.0973 52.9425 43.5534 174.6400 84 C 5.5567 9.4458 120.6104 55.2559 41.4895 173.0127 85 R 5.3252 8.8809 122.7983 54.2822 33.1109 173.8356 86 E 4.0912 9.0176 127.6693 56.6090 30.9134 176.9633 87 T 4.3267 8.1591 117.1196 60.2992 70.6599 174.8961 88 G 3.7003 8.4087 109.5027 48.5294 0.0000 175.3395 89 S 4.2132 7.9310 114.7078 60.4048 63.2519 174.6698 90 S 3.9858 7.2035 115.2529 58.5281 62.5735 173.6957 91 K 4.2331 8.4947 125.7300 55.4631 34.9780 174.0106 92 Y 4.2599 8.8380 128.1201 57.8210 39.0787 173.6272 93 P 3.3925 0.0000 0.0000 62.5396 32.1410 176.6515 94 N 4.8307 7.9000 117.0850 52.5629 37.6865 173.7443 95 C 4.5457 7.7309 116.1281 56.8168 43.0482 173.5532 96 A 5.0485 8.4025 124.1016 50.6184 22.2753 174.7001 97 Y 5.0949 9.4078 118.5024 56.0866 42.5525 174.8019 98 K 4.5458 9.5305 123.7639 55.7045 34.2743 175.2241 99 T 5.1283 8.5550 123.3392 62.2822 70.5260 173.8721 100 T 4.6359 8.9711 123.2522 61.7998 71.7726 173.4695 101 Q 4.8327 8.8058 125.2806 55.6800 30.2733 174.8207 102 A 4.6615 8.6858 122.8270 51.1295 23.7579 174.9599 103 N 5.3991 8.6210 115.2925 51.8939 41.3951 174.2604 104 K 4.7109 8.8824 122.3248 55.0088 37.6446 175.5268 105 H 4.8811 9.3610 119.3031 55.7312 30.0578 174.9578 106 I 4.8837 8.6034 114.7981 59.2682 40.9363 174.3233 107 I 4.9246 8.1091 123.7262 59.6998 40.3482 175.1295 108 V 4.7541 8.7385 119.1145 59.4077 36.2202 174.2595 109 A 5.0870 8.7515 124.4997 50.8678 20.9390 175.6096 110 C 5.3564 8.6518 118.9793 55.2950 39.8183 173.2295 111 E 4.7279 8.7033 117.9442 56.3443 32.7972 174.0712 112 G 3.9525 9.4296 106.1391 44.6850 0.0000 172.1563 113 N 4.7904 8.2638 116.1444 50.6960 40.4279 172.1074 114 P 4.3465 0.0000 0.0000 62.8568 31.9286 175.4942 115 Y 4.8155 8.2985 121.1502 56.7838 39.0581 174.6238 116 V 4.5449 8.2835 119.3441 58.6302 36.9184 173.2649 117 P 4.8444 0.0000 0.0000 63.1166 31.2537 177.0257 118 V 4.4690 8.9377 115.6336 61.2236 33.9858 175.2940 119 H 4.8887 7.9267 119.9157 54.4767 33.6070 171.5828 120 F 4.4180 8.6472 127.7194 57.4092 39.3128 174.3164 121 D 4.6431 8.2801 126.8377 56.0683 42.2758 175.7785 122 A 4.6207 6.4667 117.3665 51.4223 22.3664 175.1360 123 S 5.1492 8.8469 113.0732 56.7804 66.3926 174.6352 124 V 4.1522 8.7964 114.4099 61.8131 32.7231 175.1414 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 K 8.31 4.23 0.00 1.74 1.80 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 2 E 8.64 3.80 0.00 2.13 1.82 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 2.40 2.37 0.00 3 T 8.66 4.38 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 4 A 8.50 3.98 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 5 A 8.00 3.98 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 6 A 8.14 4.02 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 7 K 8.38 4.14 0.00 1.97 2.03 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.31 7.81 8 F 8.41 4.06 0.00 3.22 3.30 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 9 E 8.47 4.03 0.00 2.30 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 2.49 2.67 0.00 10 R 7.95 3.90 0.00 1.79 2.07 0.00 3.23 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 11 Q 8.22 4.03 0.00 1.49 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.54 0.00 12 H 8.04 4.68 0.00 1.98 2.83 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.65 4.52 0.00 2.04 2.14 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 2.71 2.70 0.00 14 D 8.06 4.74 0.00 2.53 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.32 0.00 3.91 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 16 S 8.65 4.31 0.00 3.86 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 17 T 7.56 4.34 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 18 S 8.36 4.16 0.00 3.86 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 *22 S 7.92 4.22 0.00 3.78 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 23 S 7.12 3.59 0.00 3.89 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 24 N 7.92 4.85 0.00 2.79 2.82 0.00 0.00 6.56 7.48 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 25 Y 9.47 4.01 0.00 3.03 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.39 4.28 0.00 3.20 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 27 N 8.26 4.46 0.00 2.90 2.96 0.00 0.00 6.93 7.85 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 28 L 7.57 4.11 0.00 1.48 1.59 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.88 3.90 0.00 0.86 1.26 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.84 0.00 30 M 7.77 4.38 0.00 1.73 1.78 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.50 0.00 *33 R 7.38 4.18 0.00 1.97 2.07 0.00 3.55 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 34 N 8.19 4.25 0.00 2.86 2.91 0.00 0.00 7.07 7.78 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 35 L 8.33 4.64 0.00 1.79 1.62 0.81 0.44 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 36 T 7.53 5.36 4.42 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 1.42 0.00 0.00 37 K 8.58 4.22 0.00 1.78 1.91 0.00 1.75 0.00 0.00 1.95 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.51 7.81 38 D 7.62 4.72 0.00 2.56 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.11 3.91 0.00 1.76 1.77 0.00 2.92 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 40 C 8.72 4.89 0.00 3.12 3.14 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 41 K 8.55 4.25 0.00 1.85 1.77 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.42 7.81 42 P 0.00 4.76 0.00 2.15 2.12 0.00 3.92 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 43 V 7.58 5.05 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 0.70 0.00 0.00 0.94 0.00 0.00 44 N 8.77 4.74 0.00 2.58 2.25 0.00 0.00 7.20 6.51 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 45 T 7.60 4.85 3.06 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 0.00 0.00 0.00 0.86 0.00 0.00 46 F 9.08 4.86 0.00 2.98 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 47 V 8.43 4.53 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 0.86 0.00 0.00 1.05 0.00 0.00 48 H 9.11 4.93 0.00 3.13 3.29 0.00 5.70 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 49 E 8.10 4.36 0.00 1.99 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 2.34 2.26 0.00 50 S 8.26 4.37 0.00 4.06 4.01 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 51 L 8.43 3.97 0.00 1.79 1.71 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.97 4.04 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 53 D 8.05 4.33 0.00 2.84 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 54 V 7.89 3.74 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 1.06 0.00 0.00 0.97 0.00 0.00 55 Q 8.59 3.97 0.00 2.27 2.11 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 2.36 2.48 0.00 56 A 8.14 4.07 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 57 V 7.59 3.44 2.16 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 0.93 0.00 0.00 0.95 0.00 0.00 58 C 7.81 3.96 0.00 2.95 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 59 S 7.58 4.64 0.00 3.88 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 60 Q 7.56 4.02 0.00 1.70 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 1.90 2.20 0.00 61 K 8.33 4.36 0.00 1.98 1.82 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.55 7.81 62 N 8.73 4.14 0.00 2.69 2.59 0.00 0.00 7.01 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 63 V 8.31 4.56 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 0.70 0.00 0.00 0.82 0.00 0.00 64 A 8.34 4.36 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 65 C 8.99 4.70 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.98 3.78 0.00 1.73 1.88 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 67 N 8.02 4.59 0.00 2.79 2.89 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.22 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 69 Q 8.36 4.14 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 70 T 8.38 4.39 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 1.19 0.00 0.00 71 N 7.85 5.10 0.00 3.07 3.17 0.00 0.00 6.12 7.68 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 72 C 7.57 5.26 0.00 3.14 2.92 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 73 Y 8.84 4.98 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 74 Q 9.19 5.04 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 75 S 8.79 4.38 0.00 3.97 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 76 Y 8.69 4.54 0.00 3.03 2.92 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 77 S 7.82 5.11 0.00 3.79 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 78 T 8.32 4.10 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 1.01 0.00 0.00 79 M 9.00 5.06 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 80 S 9.41 4.92 0.00 3.90 3.79 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 81 I 8.84 5.08 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 1.05 0.00 0.00 82 T 8.97 5.13 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 1.26 0.00 0.00 83 D 9.52 5.24 0.00 2.57 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 84 C 9.45 5.56 0.00 2.71 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 85 R 8.88 5.33 0.00 1.94 1.78 0.00 3.13 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 86 E 9.02 4.09 0.00 2.17 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 0.00 2.14 1.96 0.00 87 T 8.16 4.33 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 1.20 0.00 0.00 88 G 8.41 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 89 S 7.93 4.21 0.00 3.84 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 90 S 7.20 3.99 0.00 3.77 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 91 K 8.49 4.23 0.00 1.76 1.58 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.36 7.81 92 Y 8.84 4.26 0.00 3.04 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 P 0.00 3.39 0.00 1.74 1.04 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 1.72 1.74 0.00 94 N 7.90 4.83 0.00 2.80 2.72 0.00 0.00 7.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 7.73 4.55 0.00 3.09 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.40 5.05 1.11 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 97 Y 9.41 5.09 0.00 3.02 2.91 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 98 K 9.53 4.55 0.00 1.84 1.73 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 99 T 8.56 5.13 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 1.26 0.00 0.00 100 T 8.97 4.64 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 1.23 0.00 0.00 101 Q 8.81 4.83 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 102 A 8.69 4.66 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 0.00 103 N 8.62 5.40 0.00 2.54 2.73 0.00 0.00 6.67 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.88 4.71 0.00 1.72 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.45 7.81 105 H 9.36 4.88 0.00 3.22 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.60 4.88 1.64 0.00 0.00 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 1.24 1.20 1.09 0.00 0.00 107 I 8.11 4.92 1.66 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.80 0.00 0.00 108 V 8.74 4.75 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 0.55 0.00 0.00 0.87 0.00 0.00 109 A 8.75 5.09 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 0.00 110 C 8.65 5.36 0.00 1.84 1.91 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 0.00 111 E 8.70 4.73 0.00 2.07 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 2.17 2.25 0.00 112 G 9.43 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 0.00 113 N 8.26 4.79 0.00 2.66 2.71 0.00 0.00 6.92 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.35 0.00 2.24 2.06 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 115 Y 8.30 4.82 0.00 2.83 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 0.00 116 V 8.28 4.54 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 0.75 0.00 0.00 0.95 0.00 0.00 117 P 0.00 4.84 0.00 1.91 1.94 0.00 3.57 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 1.99 2.03 0.00 118 V 8.94 4.47 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 0.67 0.00 0.00 1.04 0.00 0.00 119 H 7.93 4.89 0.00 3.20 3.06 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.65 4.42 0.00 3.02 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 0.00 121 D 8.28 4.64 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.47 4.62 1.16 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 0.00 123 S 8.85 5.15 0.00 4.02 4.06 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 0.00 0.00 0.00 0.00 124 V 8.80 4.15 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 0.67 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.