NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.9210 8.2833 118.2576 52.3443 38.9173 175.1159 2 F 4.5361 8.1970 117.0690 60.3006 38.6426 176.7651 3 F 4.7265 9.0728 118.4281 61.2979 39.1847 177.4708 4 Q 4.0763 9.5010 117.4825 59.0576 28.4170 178.8110 5 F 4.6323 8.9183 121.8594 61.0992 39.4112 177.1707 6 A 3.6149 9.0520 121.7219 55.1910 18.0846 179.4843 7 E 4.1038 7.7907 115.0730 59.3006 29.2208 179.0281 8 M 4.0253 7.5437 118.7595 57.6455 32.1965 178.6801 9 I 3.5269 7.1673 119.4568 64.2868 37.5039 177.9698 10 V 3.9500 7.8913 115.6751 63.7580 30.7677 175.7829 11 K 4.5161 7.2603 115.9714 56.0417 33.1879 176.5188 12 M 4.7844 7.8931 116.6697 56.0915 36.5069 174.5057 13 T 4.4989 7.8855 115.2210 62.0884 70.6230 175.2545 14 G 3.7339 7.8555 120.1385 46.7404 0.0000 173.3719 *16 K 4.5736 8.3818 116.6048 54.7849 32.0396 176.4631 17 E 5.9800 7.4165 130.9467 56.8136 30.8768 176.6520 18 A 4.2632 7.2897 125.8558 54.3737 19.2324 177.4351 19 V 3.7048 6.9914 114.9177 66.6269 30.1557 173.0349 20 H 4.8586 8.5553 132.8048 55.4279 27.9361 176.7236 21 S 4.1594 7.7712 118.4780 61.0382 62.9574 175.6016 22 Y 4.5716 7.7372 114.6041 58.2397 38.3650 177.4128 23 A 4.0622 8.1043 123.7808 54.8232 18.5612 176.8716 24 I 4.6515 7.1830 112.7178 60.7295 39.2453 172.0775 25 Y 5.4324 7.4595 126.4167 54.3158 43.2900 176.8108 26 G 3.8749 5.3800 107.8325 45.4900 0.0000 176.2794 27 C 4.6287 8.8143 122.7892 59.7683 30.2216 174.3606 28 Y 4.8767 8.0721 115.6144 57.8437 39.0374 177.7232 29 C 4.6606 8.3719 119.0616 58.8676 42.0360 174.7464 30 G 4.7238 7.4034 103.3892 44.8531 0.0000 176.4726 31 W 4.5777 9.3999 119.9463 54.9605 28.0222 174.8592 32 G 3.9670 7.5584 118.6934 43.9263 0.0000 172.9639 33 G 3.5436 10.4613 109.1089 44.4719 0.0000 173.4675 34 Q 4.9431 6.2237 116.9305 56.6893 33.1723 171.4373 35 G 4.6676 8.9840 110.8350 43.8589 0.0000 171.7717 36 K 4.5693 8.3416 120.3625 54.0723 34.9365 174.2332 37 P 4.2692 0.0000 0.0000 63.1175 31.5331 176.1934 38 Q 3.9124 10.7000 122.1678 56.3399 29.1125 175.3953 39 D 4.3257 7.8031 115.7048 52.1728 41.0896 175.9901 40 A 3.7734 7.4221 117.5063 56.1051 18.1177 179.3421 41 T 3.8573 8.0147 111.4448 66.6422 68.9714 176.0993 42 D 4.4037 8.4393 119.4803 57.5624 41.3584 178.4815 43 R 4.0527 8.6913 119.0309 59.5761 29.8423 178.1057 44 C 4.3507 8.3499 116.8370 59.9064 40.1094 174.9781 45 C 4.0012 8.6782 118.6297 60.4217 36.9463 176.1084 46 F 4.0101 9.0181 122.5051 61.2144 39.0915 177.3356 47 V 3.1516 8.1142 118.0049 65.7937 31.0716 177.7579 48 H 3.9076 8.2293 118.4041 59.4189 29.7693 177.0618 49 D 4.1161 7.4557 120.1473 56.9070 40.4847 178.6642 50 C 3.9090 7.5116 117.2894 62.7288 28.1025 175.8986 51 C 3.8620 7.4530 118.4132 60.2023 38.2759 175.4231 52 Y 4.3295 8.2202 118.3012 61.0201 37.2647 178.2030 53 G 3.8356 8.2024 105.8076 48.4561 0.0000 175.2797 54 T 4.1676 8.2141 111.7070 63.0618 68.6048 173.9599 55 V 3.5520 7.2276 120.8057 63.4654 31.1593 174.8392 56 N 4.6952 8.6273 124.4969 53.8033 40.4096 176.8001 *58 D 4.7093 8.3423 116.4604 53.6418 43.0654 173.4457 59 C 4.9409 7.4282 112.2209 53.5021 42.8050 172.1252 *61 N 4.7268 8.2290 114.3515 53.4294 38.0685 172.7871 *68 P 3.8138 0.0000 0.0000 61.9733 33.2713 178.4572 69 K 4.2120 7.8202 117.2622 58.2481 32.5449 176.7160 70 M 4.2032 7.6722 116.4665 56.3118 33.6555 176.0192 71 A 3.8365 8.2071 121.2350 53.1695 18.6966 176.8349 72 T 5.1994 8.7615 119.2978 61.4569 69.1686 173.4021 73 Y 4.9416 7.9012 124.7821 55.9606 40.9393 174.6418 74 S 5.0748 10.7700 115.2712 57.1315 65.2623 173.4728 75 Y 5.5202 8.3587 121.0765 56.3350 41.4385 173.8927 76 S 4.1958 9.3677 113.2600 57.1822 66.7904 173.4112 77 F 5.3243 8.9904 126.2709 56.6098 39.0278 173.4695 78 E 4.2921 8.9616 121.9285 56.7485 30.5884 176.2026 79 N 4.3220 8.3301 122.6593 52.5997 37.8030 174.6597 80 G 3.6169 7.4565 104.2057 45.5313 0.0000 172.5803 81 D 4.9506 7.4991 118.6582 52.0620 43.7170 174.2398 82 I 5.1084 8.5004 126.6213 60.2136 38.5050 175.1337 83 V 4.5984 9.2200 127.2648 61.3090 34.6726 173.3894 84 C 5.2847 8.9329 123.4168 55.5163 41.7808 173.6875 85 G 4.1337 9.3540 109.1126 46.0871 0.0000 172.6015 86 D 4.7523 8.0337 120.7386 53.1981 42.2915 176.7076 *88 N 4.7323 8.5764 120.3626 53.5856 40.7090 173.0796 89 N 4.1220 8.1080 118.1414 53.3776 39.2158 174.4615 90 L 3.8622 8.5256 129.8228 58.9470 40.3550 179.3005 91 C 4.3968 8.7638 119.4228 59.2235 43.2435 175.4943 92 L 3.7819 8.1222 119.8801 57.3855 41.0754 178.7738 93 K 4.1744 8.3367 118.8306 58.2476 32.1245 178.5409 94 T 4.0547 7.8479 116.1141 66.2714 69.1053 176.7535 95 V 3.4349 7.6218 119.5813 66.2157 31.0556 178.4284 96 C 3.1498 7.3075 116.4264 59.3647 42.7421 174.9351 97 E 3.7258 7.5813 120.8735 59.5560 29.0155 178.2357 98 C 4.2214 8.6879 116.5618 60.1467 40.1384 175.6979 99 D 3.9055 7.9789 120.2678 57.8298 40.2226 178.1808 100 R 3.8146 8.8022 118.0810 59.6223 30.1373 177.4963 101 A 4.1110 8.6716 119.7422 55.3816 18.5006 179.1395 102 A 3.8724 8.2999 119.1913 55.6361 18.2414 179.5820 103 A 3.9638 8.2341 116.2951 54.0237 18.8316 178.7844 104 I 4.1029 7.9873 118.6014 62.8821 37.4688 177.3683 105 C 4.2577 7.8406 119.1066 59.7066 43.4929 175.2988 106 L 3.8799 8.0426 118.7691 56.8023 41.3656 179.1100 107 G 3.8178 7.4253 107.1551 47.2341 0.0000 175.4777 108 Q 4.2892 7.9451 117.9867 56.3202 28.9422 176.6398 109 N 5.1522 7.6905 115.7109 52.5871 40.1798 176.2245 110 V 3.9853 7.9855 114.1752 63.8915 31.7721 177.4932 111 N 4.3586 8.0565 115.1310 54.0980 37.8979 176.0092 112 T 4.2069 8.1365 115.3720 64.7539 69.3967 174.4709 113 Y 3.7811 7.4137 123.0373 58.2139 39.0364 174.5759 114 D 4.9256 9.0447 127.5945 52.3186 41.2952 176.3855 115 K 4.5838 8.9836 125.9393 58.1067 31.9922 176.6059 116 N 4.7185 7.5614 113.0390 53.8899 38.6438 174.8426 117 Y 4.4489 7.9611 116.1367 57.2689 39.1272 175.6001 118 E 4.4457 7.9752 117.8750 56.3585 31.3977 175.7257 119 N 4.1665 9.4806 116.3525 54.6802 36.4075 174.0403 120 Y 4.4451 7.6431 117.2407 57.0496 40.1142 173.4994 121 A 3.9899 7.4646 127.1195 50.9037 18.8019 177.5218 122 I 4.2495 7.7871 129.5032 60.8928 38.0282 175.1227 *124 S 4.5420 7.4691 113.3398 58.9028 63.6921 173.5549 125 H 4.6801 7.6797 114.3436 56.0701 28.5980 175.3351 126 C 4.7603 7.4745 114.3293 59.4613 31.3189 175.3745 127 T 4.7809 8.7784 111.2755 62.4676 68.5023 174.8928 128 E 4.3890 7.8797 120.9427 55.7362 31.0037 175.5246 129 E 4.0847 8.6176 116.6211 56.9867 30.3033 176.3949 130 S 5.5108 8.5392 119.3511 56.0455 61.7282 172.0404 131 E 3.9480 8.2838 122.6857 55.8832 29.9577 177.9645 132 Q 4.4944 8.4616 121.9613 55.8391 29.9602 175.9166 133 C 4.3423 8.2488 113.0152 58.8132 29.5338 173.8824 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 N 8.28 4.92 0.00 2.80 3.06 0.00 0.00 6.14 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 2 F 8.20 4.54 0.00 3.10 3.16 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 3 F 9.07 4.73 0.00 3.34 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 9.50 4.08 0.00 2.35 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.77 0.00 5 F 8.92 4.63 0.00 3.53 3.38 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 0.00 6 A 9.05 3.61 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 7 E 7.79 4.10 0.00 2.06 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 0.00 2.42 2.45 0.00 8 M 7.54 4.03 0.00 1.96 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.07 0.00 9 I 7.17 3.53 1.55 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.03 0.51 0.00 0.00 10 V 7.89 3.95 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 0.75 0.00 0.00 0.97 0.00 0.00 11 K 7.26 4.52 0.00 1.58 0.83 0.00 0.89 0.00 0.00 1.36 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.19 1.28 7.81 12 M 7.89 4.78 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.72 0.00 13 T 7.89 4.50 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 1.26 0.00 0.00 14 G 7.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 8.38 4.57 0.00 1.78 1.87 0.00 1.95 0.00 0.00 0.72 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.36 7.81 17 E 7.42 5.98 0.00 2.07 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 2.31 2.05 0.00 18 A 7.29 4.26 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 19 V 6.99 3.70 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 0.82 0.00 0.00 0.95 0.00 0.00 20 H 8.56 4.86 0.00 3.29 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.77 4.16 0.00 3.38 3.50 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 22 Y 7.74 4.57 0.00 3.12 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 23 A 8.10 4.06 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 24 I 7.18 4.65 2.01 0.00 0.00 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 1.41 1.22 1.07 0.00 0.00 25 Y 7.46 5.43 0.00 3.12 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 26 G 5.38 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 27 C 8.81 4.63 0.00 2.73 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 28 Y 8.07 4.88 0.00 3.08 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 29 C 8.37 4.66 0.00 3.41 3.59 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 30 G 7.40 4.72 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 0.00 31 W 9.40 4.58 0.00 3.27 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.56 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 10.46 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 34 Q 6.22 4.94 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.63 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 35 G 8.98 4.67 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 36 K 8.34 4.57 0.00 1.86 1.90 0.00 1.62 0.00 0.00 1.90 0.00 0.00 3.30 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.32 7.81 37 P 0.00 4.27 0.00 1.93 2.02 0.00 3.50 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.71 0.00 38 Q 10.70 3.91 0.00 1.40 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.81 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 39 D 7.80 4.33 0.00 2.98 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 40 A 7.42 3.77 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 41 T 8.01 3.86 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 1.02 0.00 0.00 42 D 8.44 4.40 0.00 3.18 2.65 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 0.00 0.00 0.00 0.00 43 R 8.69 4.05 0.00 1.85 2.01 0.00 3.31 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.84 0.00 44 C 8.35 4.35 0.00 3.21 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 0.00 45 C 8.68 4.00 0.00 3.07 3.60 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 46 F 9.02 4.01 0.00 2.67 3.12 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 0.00 0.00 0.00 47 V 8.11 3.15 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 0.84 0.00 0.00 1.01 0.00 0.00 48 H 8.23 3.91 0.00 3.10 3.25 0.00 5.66 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 49 D 7.46 4.12 0.00 2.55 2.61 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 0.00 0.00 0.00 0.00 50 C 7.51 3.91 0.00 2.70 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 51 C 7.45 3.86 0.00 3.06 3.25 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 52 Y 8.22 4.33 0.00 2.97 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 53 G 8.20 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 54 T 8.21 4.17 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 55 V 7.23 3.55 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 0.92 0.00 0.00 56 N 8.63 4.70 0.00 2.74 2.78 0.00 0.00 7.04 8.08 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 *58 D 8.34 4.71 0.00 2.66 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 7.43 4.94 0.00 3.04 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 N 8.23 4.73 0.00 2.75 2.81 0.00 0.00 7.59 8.03 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 *68 P 0.00 3.81 0.00 1.36 0.71 0.00 3.56 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 1.84 1.77 0.00 69 K 7.82 4.21 0.00 1.79 1.79 0.00 1.92 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.16 1.62 7.81 70 M 7.67 4.20 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 71 A 8.21 3.84 1.30 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 0.00 0.00 72 T 8.76 5.20 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 1.16 0.00 0.00 73 Y 7.90 4.94 0.00 3.32 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 74 S 10.77 5.07 0.00 3.88 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 75 Y 8.36 5.52 0.00 3.29 3.26 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 76 S 9.37 4.20 0.00 3.81 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 77 F 8.99 5.32 0.00 3.16 3.16 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 78 E 8.96 4.29 0.00 2.04 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 0.00 2.19 2.21 0.00 79 N 8.33 4.32 0.00 2.70 3.18 0.00 0.00 7.50 7.98 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 80 G 7.46 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 81 D 7.50 4.95 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 82 I 8.50 5.11 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.11 1.15 0.00 0.00 83 V 9.22 4.60 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 1.10 0.00 0.00 1.05 0.00 0.00 84 C 8.93 5.28 0.00 2.94 3.05 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 0.00 0.00 0.00 0.00 85 G 9.35 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 86 D 8.03 4.75 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 *88 N 8.58 4.73 0.00 2.72 2.90 0.00 0.00 7.24 7.79 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 89 N 8.11 4.12 0.00 2.80 2.79 0.00 0.00 6.89 6.66 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 90 L 8.53 3.86 0.00 1.82 1.84 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.76 4.40 0.00 2.96 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 92 L 8.12 3.78 0.00 1.95 1.79 1.02 0.98 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 93 K 8.34 4.17 0.00 2.05 1.78 0.00 1.52 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 94 T 7.85 4.05 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 1.16 0.00 0.00 95 V 7.62 3.43 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 0.93 0.00 0.00 0.80 0.00 0.00 96 C 7.31 3.15 0.00 2.22 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 97 E 7.58 3.73 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 2.28 2.38 0.00 98 C 8.69 4.22 0.00 3.18 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 99 D 7.98 3.91 0.00 2.87 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 0.00 100 R 8.80 3.81 0.00 1.71 2.02 0.00 3.45 0.00 0.00 3.40 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 101 A 8.67 4.11 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 0.00 102 A 8.30 3.87 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.96 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 0.00 104 I 7.99 4.10 2.04 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 1.45 1.32 0.93 0.00 0.00 105 C 7.84 4.26 0.00 3.11 3.18 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 0.00 106 L 8.04 3.88 0.00 1.34 1.24 0.10 0.53 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 0.00 107 G 7.43 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 7.95 4.29 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 109 N 7.69 5.15 0.00 2.84 2.80 0.00 0.00 7.06 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 0.00 110 V 7.99 3.99 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 0.96 0.00 0.00 1.07 0.00 0.00 111 N 8.06 4.36 0.00 2.84 2.97 0.00 0.00 6.06 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 0.00 112 T 8.14 4.21 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 1.29 0.00 0.00 113 Y 7.41 3.78 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 0.00 114 D 9.04 4.93 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.98 4.58 0.00 1.89 1.88 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.61 7.81 116 N 7.56 4.72 0.00 2.78 2.57 0.00 0.00 6.73 7.34 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 0.00 117 Y 7.96 4.45 0.00 2.08 1.62 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 0.00 118 E 7.98 4.45 0.00 2.29 2.24 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 2.39 2.40 0.00 119 N 9.48 4.17 0.00 2.73 2.91 0.00 0.00 6.92 7.34 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 0.00 120 Y 7.64 4.45 0.00 2.77 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 0.00 121 A 7.46 3.99 1.12 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 0.00 0.00 0.00 0.00 0.00 122 I 7.79 4.25 1.86 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 1.26 0.52 0.90 0.00 0.00 *124 S 7.47 4.54 0.00 3.73 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 0.00 125 H 7.68 4.68 0.00 2.89 3.37 0.00 5.92 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 0.00 126 C 7.47 4.76 0.00 2.91 3.11 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 0.00 127 T 8.78 4.78 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 1.21 0.00 0.00 128 E 7.88 4.39 0.00 2.08 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 0.00 2.30 2.38 0.00 129 E 8.62 4.08 0.00 2.15 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 0.00 2.46 2.28 0.00 130 S 8.54 5.51 0.00 4.01 4.07 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 0.00 131 E 8.28 3.95 0.00 1.50 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 132 Q 8.46 4.49 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 133 C 8.25 4.34 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.