NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.0956 8.2431 119.6938 54.8800 30.9512 175.7493 10 G 3.5158 9.2636 107.7953 46.4316 0.0000 170.1594 11 E 4.3249 8.1774 119.0405 53.9540 33.2477 173.7265 12 F 4.9884 7.9691 118.3722 55.9441 43.1750 174.7127 13 S 4.6305 8.4666 118.0905 57.7509 64.2749 175.0249 14 V 3.9614 8.2725 121.6857 65.1277 31.6933 176.8213 15 C 5.2735 7.8315 115.3090 55.0100 41.6373 173.0953 16 D 4.8900 8.4851 123.9370 53.5684 41.7655 175.4208 17 S 4.9943 8.2149 115.7946 56.9705 66.8512 173.3503 18 V 4.4973 8.4956 113.3590 59.7054 34.9452 174.8717 19 S 5.0441 8.6197 120.4288 56.8677 65.4902 173.8755 20 V 4.6442 8.1973 115.9023 59.6461 36.5707 173.8953 21 W 4.7525 9.0710 123.9855 56.6521 29.9671 175.7226 22 V 4.4566 9.6987 126.3440 61.4203 32.4905 176.2535 23 G 4.0961 9.2773 115.6342 45.3327 0.0000 172.5491 24 D 4.9699 7.8215 119.0617 52.3274 39.9752 176.1253 25 K 4.1297 8.4510 120.7688 58.0763 32.9504 175.9001 26 T 4.8771 8.5478 114.0033 61.9869 71.6014 173.4701 27 T 5.2346 7.5699 109.3580 60.1773 72.3122 172.7755 28 A 4.3490 8.5285 122.3592 51.8639 23.8279 174.8018 29 T 4.8801 7.9358 114.0872 60.1369 69.7997 174.5553 30 D 5.1965 8.8337 129.0717 53.0997 40.1619 176.4497 31 I 4.1103 8.1728 118.0712 62.8091 37.8690 176.4205 32 K 4.3881 8.3278 117.8074 56.4429 32.0001 177.7771 33 G 3.9555 8.1208 107.4373 45.5392 0.0000 174.2635 34 K 4.0990 8.4350 123.0447 55.4452 32.6076 176.1584 35 E 4.4631 8.6464 127.2399 56.7366 30.4591 175.3466 36 V 4.3075 8.1083 120.3206 61.2542 35.3313 171.2155 37 M 4.7467 8.2220 121.5126 54.8426 33.6962 174.7810 38 V 4.6430 8.7220 125.8976 61.1101 33.6274 175.4883 39 L 4.4046 8.4870 128.1880 53.0427 43.2420 178.7679 40 G 4.2047 8.4191 112.4315 44.8913 0.0000 177.3207 41 E 4.9495 8.9229 121.5541 56.2385 29.8703 175.2473 42 V 4.5625 8.3972 113.9305 59.5977 36.6125 174.1216 43 N 5.0689 8.8590 120.6127 52.3976 40.3942 174.1758 44 I 4.1655 7.9518 128.3626 59.7560 37.7586 174.9232 45 N 4.0064 8.4689 125.5853 53.9110 34.4401 175.9576 46 N 4.4370 8.2766 112.3892 53.3338 38.3677 175.0505 47 S 4.8522 7.3148 112.7199 56.4406 66.1790 173.3365 48 V 5.4841 8.1191 114.1068 59.1216 33.6188 175.1848 49 F 5.4164 8.5296 122.3583 55.5878 42.9107 174.1882 50 K 4.5345 8.7562 122.7167 56.0512 33.3505 175.9329 51 Q 4.3970 8.3706 125.1587 55.1524 29.5071 174.6642 52 Y 5.0814 8.2184 121.3201 56.1637 41.6370 175.2843 53 F 5.0141 9.3928 120.6064 55.8685 43.2853 173.7770 54 F 3.9657 8.7267 126.7584 57.1644 39.3673 173.8189 55 E 4.6756 8.4435 128.3625 54.6570 31.6579 174.6362 56 T 4.8503 8.8542 123.5285 61.7401 71.6905 173.3045 57 K 4.6267 8.6270 124.4195 54.8705 37.0423 174.5064 58 C 4.9471 8.2769 117.8266 55.1030 42.5011 174.2292 59 R 4.5513 7.7442 114.3867 54.7615 30.8249 172.4261 60 D 4.5056 7.4644 117.2456 53.8585 45.8227 175.1771 *67 G 4.7005 8.2838 109.9319 45.6133 0.0000 177.2733 68 C 4.7391 9.0938 117.6272 55.9552 41.1773 172.2735 69 R 4.5041 8.6717 122.3226 55.9354 31.1756 176.4123 70 G 3.9718 9.0253 113.6301 45.0172 0.0000 173.0129 71 I 3.8525 7.2011 119.6621 60.2237 38.8524 175.4182 72 D 4.6110 8.5698 126.4715 54.0408 40.0501 176.4966 73 S 4.3900 8.5935 123.4245 61.2305 63.1209 176.4784 74 K 4.2410 8.1523 118.5166 58.2814 32.2517 176.2455 75 H 4.8207 8.5337 111.9842 56.9611 33.2358 173.3206 76 W 5.5305 8.5519 115.4475 54.9453 32.8249 175.1079 77 N 5.2214 9.7991 120.7403 52.5739 40.3518 174.3536 78 S 5.5029 8.7360 114.1525 58.6897 65.8957 172.9868 79 Y 4.9700 8.1018 118.3096 56.1291 41.5854 173.8770 80 C 5.0942 9.2744 118.4215 56.3224 39.9865 173.5894 81 T 4.7740 8.8665 119.4985 61.9395 72.3264 172.7198 82 T 5.3779 8.7007 119.9538 60.3035 68.6805 174.5088 83 T 4.4572 8.2907 119.7186 61.3006 71.3634 172.7240 84 H 5.1527 7.9483 115.4457 54.8392 31.8078 173.1781 85 T 4.6048 8.1919 114.8186 60.8371 70.6158 172.3433 86 F 5.8101 8.5655 118.6627 55.6856 42.4787 174.3169 87 V 4.8458 8.8340 123.5965 60.9314 34.6486 174.0891 88 K 4.5310 9.0455 127.9361 55.9237 32.8975 175.5380 89 A 4.7763 9.2865 128.3945 50.2298 23.8523 174.4985 90 L 3.9531 7.7111 121.3840 54.1408 42.8814 175.5987 91 T 4.9406 8.2367 117.1271 60.0570 71.9808 172.6308 92 M 4.2798 8.6078 125.6322 55.0243 32.9163 176.1355 93 D 4.3807 8.4417 126.2719 54.6480 42.1458 178.1333 94 G 5.0391 7.7109 116.6311 46.9128 0.0000 173.5538 95 K 4.1494 8.2233 119.6238 57.0680 29.9767 179.2500 96 Q 4.4971 9.0458 116.7182 53.5136 31.5540 173.9019 97 A 4.4919 8.2008 120.8282 52.0122 19.3207 176.8108 98 A 4.7042 8.3943 121.9282 50.2057 23.5813 175.2156 99 W 4.8971 8.8107 119.7520 55.6089 29.9606 176.1716 100 R 4.7442 8.7392 120.8507 54.2565 33.5000 174.1962 101 F 5.2113 8.8116 119.0754 57.3355 40.2784 175.4344 102 I 4.7338 9.0137 118.2000 59.4390 40.5031 174.3504 103 R 4.5579 8.1568 122.9793 55.4271 31.1470 175.6387 104 I 4.4704 7.9578 125.6499 59.1785 41.1128 174.4606 105 D 4.7619 8.7963 127.0636 55.6189 41.0513 176.9488 106 T 4.2130 8.3233 116.3677 61.6704 69.7515 172.6904 107 A 4.3098 7.1765 120.7897 51.8267 22.7653 175.2236 108 C 5.2752 8.7741 118.4455 55.1928 43.2782 173.4603 109 V 4.5864 8.9917 119.7073 59.4383 34.9606 174.1383 110 C 4.7426 8.5660 123.4169 56.1721 38.8406 172.6130 111 V 4.2865 7.9898 125.9413 61.1149 33.1620 174.4469 112 L 4.9413 8.2730 127.3050 53.9047 43.6561 176.2492 113 S 4.6948 8.9200 116.2641 57.0561 66.1238 173.3640 114 R 4.0942 9.1781 126.7522 56.9649 30.1493 175.9607 115 K 4.4836 8.5909 125.5018 55.3007 34.3776 176.1650 116 A 4.0843 8.5419 126.7220 52.8056 18.7024 177.0020 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 9 R 8.24 4.10 0.00 1.70 1.66 0.00 3.50 0.00 0.00 3.14 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 10 G 9.26 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.18 4.32 0.00 1.72 1.68 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 0.00 2.04 2.05 0.00 12 F 7.97 4.99 0.00 2.98 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 13 S 8.47 4.63 0.00 3.93 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 14 V 8.27 3.96 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 0.95 0.00 0.00 0.95 0.00 0.00 15 C 7.83 5.27 0.00 2.90 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 16 D 8.49 4.89 0.00 2.70 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 17 S 8.21 4.99 0.00 3.86 3.72 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 18 V 8.50 4.50 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 0.71 0.00 0.00 0.89 0.00 0.00 19 S 8.62 5.04 0.00 3.57 2.63 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 20 V 8.20 4.64 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 0.67 0.00 0.00 0.92 0.00 0.00 21 W 9.07 4.75 0.00 3.33 3.28 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 22 V 9.70 4.46 2.31 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 1.08 0.00 0.00 1.13 0.00 0.00 23 G 9.28 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 0.00 0.00 0.00 24 D 7.82 4.97 0.00 2.75 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 25 K 8.45 4.13 0.00 1.84 1.90 0.00 1.17 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.38 7.81 26 T 8.55 4.88 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 27 T 7.57 5.23 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 28 A 8.53 4.35 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.94 4.88 4.37 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 1.22 0.00 0.00 30 D 8.83 5.20 0.00 2.91 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 31 I 8.17 4.11 1.88 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 1.05 0.09 0.96 0.00 0.00 32 K 8.33 4.39 0.00 2.26 1.80 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.37 7.81 33 G 8.12 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 34 K 8.43 4.10 0.00 1.78 1.81 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.37 7.81 35 E 8.65 4.46 0.00 1.94 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 2.28 2.34 0.00 36 V 8.11 4.31 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 0.56 0.00 0.00 0.95 0.00 0.00 37 M 8.22 4.75 0.00 2.32 1.93 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 38 V 8.72 4.64 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 0.86 0.00 0.00 0.83 0.00 0.00 39 L 8.49 4.40 0.00 1.59 1.53 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.42 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 0.00 0.00 0.00 0.00 41 E 8.92 4.95 0.00 1.84 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 2.29 0.00 42 V 8.40 4.56 2.32 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 0.67 0.00 0.00 1.23 0.00 0.00 43 N 8.86 5.07 0.00 2.68 2.71 0.00 0.00 6.80 7.94 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 44 I 7.95 4.17 1.55 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.80 0.00 0.00 45 N 8.47 4.01 0.00 2.90 2.90 0.00 0.00 7.08 6.92 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 46 N 8.28 4.44 0.00 2.84 2.97 0.00 0.00 6.67 8.84 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 47 S 7.31 4.85 0.00 3.81 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.12 5.48 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 0.85 0.00 0.00 0.97 0.00 0.00 49 F 8.53 5.42 0.00 2.99 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 50 K 8.76 4.53 0.00 1.72 1.60 0.00 1.63 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.57 1.20 7.81 51 Q 8.37 4.40 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 52 Y 8.22 5.08 0.00 2.77 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 53 F 9.39 5.01 0.00 3.07 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 54 F 8.73 3.97 0.00 1.51 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.44 4.68 0.00 1.99 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 2.10 2.16 0.00 56 T 8.85 4.85 4.12 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 1.07 0.00 0.00 57 K 8.63 4.63 0.00 1.61 1.63 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.29 7.81 58 C 8.28 4.95 0.00 2.84 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 59 R 7.74 4.55 0.00 1.73 1.82 0.00 3.24 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 60 D 7.46 4.51 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 G 8.28 4.70 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 68 C 9.09 4.74 0.00 2.96 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 69 R 8.67 4.50 0.00 1.73 1.93 0.00 3.45 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 70 G 9.03 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 71 I 7.20 3.85 1.84 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.12 0.92 0.00 0.00 72 D 8.57 4.61 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 73 S 8.59 4.39 0.00 3.95 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 74 K 8.15 4.24 0.00 1.67 1.94 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.41 7.81 75 H 8.53 4.82 0.00 3.23 2.62 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.55 5.53 0.00 3.10 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 77 N 9.80 5.22 0.00 2.81 2.83 0.00 0.00 6.78 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 78 S 8.74 5.50 0.00 3.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 8.10 4.97 0.00 3.02 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 80 C 9.27 5.09 0.00 2.97 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 81 T 8.87 4.77 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 1.22 0.00 0.00 82 T 8.70 5.38 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 1.19 0.00 0.00 83 T 8.29 4.46 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 1.11 0.00 0.00 84 H 7.95 5.15 0.00 2.85 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.19 4.60 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 86 F 8.57 5.81 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.83 4.85 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 1.20 0.00 0.00 88 K 9.05 4.53 0.00 1.70 1.77 0.00 1.47 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.08 0.21 7.81 89 A 9.29 4.78 1.44 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 90 L 7.71 3.95 0.00 0.42 1.04 0.39 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.24 4.94 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 92 M 8.61 4.28 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 93 D 8.44 4.38 0.00 2.75 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 94 G 7.71 5.04 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 0.00 0.00 0.00 95 K 8.22 4.15 0.00 1.87 1.42 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.45 7.81 96 Q 9.05 4.50 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.15 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 97 A 8.20 4.49 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.39 4.70 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 99 W 8.81 4.90 0.00 3.13 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 0.00 100 R 8.74 4.74 0.00 1.89 1.98 0.00 2.76 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 101 F 8.81 5.21 0.00 3.05 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 0.00 102 I 9.01 4.73 1.81 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.89 0.00 0.00 103 R 8.16 4.56 0.00 1.86 1.82 0.00 3.04 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.00 104 I 7.96 4.47 1.86 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.98 0.88 0.00 0.00 105 D 8.80 4.76 0.00 2.53 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 0.00 106 T 8.32 4.21 4.41 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 1.14 0.00 0.00 107 A 7.18 4.31 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.77 5.28 0.00 2.89 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 0.00 109 V 8.99 4.59 1.98 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 0.55 0.00 0.00 0.89 0.00 0.00 110 C 8.57 4.74 0.00 2.89 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 0.00 111 V 7.99 4.29 1.21 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 0.84 0.00 0.00 0.63 0.00 0.00 112 L 8.27 4.94 0.00 1.30 1.32 0.73 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.92 4.69 0.00 4.06 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 9.18 4.09 0.00 1.70 1.66 0.00 3.22 0.00 0.00 2.98 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.80 0.00 115 K 8.59 4.48 0.00 1.90 1.85 0.00 2.19 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 116 A 8.54 4.08 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 * Residues marked with a * may have inaccurate shift predictions.