NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3247 8.2493 123.5822 50.9729 19.9387 176.4875 2 P 4.5516 0.0000 0.0000 62.8701 31.6938 174.8073 3 Q 4.5573 8.7766 118.1671 55.8332 30.7163 177.2948 4 S 4.5932 7.4056 112.1263 56.1200 66.7175 175.0286 5 I 3.6090 8.2691 122.3257 64.6425 37.7370 178.2703 6 T 3.8229 7.7542 116.0959 66.3994 68.1773 176.1480 7 E 3.8841 7.7443 119.5431 59.1517 29.9875 178.1006 8 L 4.1356 8.0105 120.4018 58.5697 42.2497 178.0623 9 C 4.2700 8.4430 118.6677 59.6913 43.3390 175.2071 10 S 4.1798 7.8102 113.1342 59.9624 62.8863 175.2423 11 E 4.0833 7.9401 121.4484 56.7883 29.7278 175.7284 12 Y 4.8048 7.0950 115.7052 56.1659 40.4226 175.1188 13 H 4.6663 8.7529 118.9233 56.2914 30.1540 174.7985 14 N 4.3756 8.8989 115.8755 55.1331 35.9806 173.8229 15 T 5.3493 7.2789 103.0909 60.3041 72.2223 172.8635 16 Q 4.5730 8.8901 119.0854 55.4360 32.6442 172.9284 17 I 4.7241 8.0689 120.6490 60.0558 38.9322 174.7431 18 Y 4.4849 8.6942 125.1707 56.7313 40.0847 175.0206 19 T 4.5110 8.5375 121.0016 63.2083 68.8024 174.3682 20 I 3.7313 8.7669 128.2478 62.4122 38.0169 177.0040 21 N 4.0553 7.8066 117.0718 53.4694 37.2767 172.0437 22 D 4.4800 7.5036 114.8243 53.3695 45.1999 174.7592 23 K 4.8520 8.5280 122.4344 56.1033 33.6172 176.6669 24 I 3.6437 8.1790 120.9394 61.3038 37.7165 176.1207 25 L 4.3943 8.4738 128.7336 57.6523 42.4204 177.0624 26 S 4.7432 7.7848 112.0413 56.5468 66.8203 171.7390 27 Y 4.8123 7.9832 122.3369 56.0679 41.0169 174.5924 28 T 4.4649 8.3172 123.0133 61.5253 72.3962 172.6030 29 E 4.7930 8.4473 125.4311 54.3878 32.7835 174.3129 30 S 4.8142 9.1098 121.3156 56.4023 65.7501 173.8701 31 M 4.6888 8.4938 121.4968 54.7158 31.6721 175.7342 32 A 4.0697 8.0746 123.2458 51.9784 19.0706 178.0081 33 G 3.7752 8.5271 110.0725 46.9928 0.0000 173.7343 34 K 4.0293 8.7820 121.5477 57.1222 30.4069 176.2551 35 R 4.6839 7.9502 117.2672 55.8293 30.5805 176.9833 36 E 4.8687 8.2795 118.8714 55.0141 29.2086 176.3039 37 M 4.8955 8.0557 120.6199 53.7285 35.7535 173.7077 38 V 4.6095 8.3026 118.3967 61.0678 34.7251 174.1582 39 I 5.0577 8.6401 127.9422 59.4058 40.2116 174.6517 40 I 5.2237 8.8855 119.5116 58.4821 41.3048 174.4000 41 T 5.0303 7.7832 117.5902 62.0807 73.2594 172.8122 42 F 5.1672 8.7499 121.4635 55.3633 43.0188 176.3505 43 K 3.9671 9.2169 120.0264 59.7789 31.9632 178.8404 44 S 4.1355 8.2316 112.1785 60.1108 62.6284 175.2875 45 G 3.9524 8.0926 107.7670 44.5481 0.0000 173.5257 46 A 4.0028 7.8848 121.9814 52.0996 19.6300 176.8638 47 T 4.9196 7.5145 116.4829 61.7668 72.1935 173.4581 48 F 5.3711 9.3749 123.8645 55.8014 43.8620 173.6447 49 Q 5.1365 9.1404 118.6148 54.4993 32.3601 174.6039 50 V 4.3298 8.4821 121.1497 61.6533 32.5633 175.0741 51 E 4.8465 8.7061 126.1776 54.4683 31.2224 176.4698 52 V 3.8542 8.2949 120.9227 62.5146 32.2111 174.0790 53 P 4.1883 0.0000 0.0000 63.1371 31.0100 175.8665 54 G 3.5045 7.8574 113.2831 47.5454 0.0000 173.6590 *58 I 3.9984 7.2026 117.6487 59.9993 38.3843 176.8431 59 D 4.4506 8.4517 121.5310 57.4161 40.1133 179.2697 60 S 4.4325 8.0271 114.6751 61.5191 63.0956 176.4482 61 Q 4.1263 7.9552 121.3252 58.3148 28.2713 178.5847 62 K 3.9353 7.5676 120.1637 59.6206 32.1617 179.4210 63 K 3.9662 8.1270 117.8137 59.3808 31.8742 179.1637 64 A 4.0295 7.6665 119.9256 55.0767 18.3939 179.5944 65 I 3.7002 8.1904 118.8066 64.7262 37.1496 178.5546 66 E 3.9930 8.0067 119.3733 59.2364 29.2338 179.2970 67 R 3.8663 7.9997 118.8022 59.6898 30.1165 178.0009 68 M 3.9843 8.4008 118.3222 58.8098 32.1642 178.3850 69 K 4.0693 8.0798 118.2553 59.4883 32.2995 178.8497 70 D 4.4216 8.2766 119.2641 57.8855 40.7219 179.1747 71 T 3.8686 8.5902 116.2150 66.7220 68.4088 176.6176 72 L 4.0523 8.3444 121.2111 57.7583 41.6233 179.4439 73 R 3.1653 8.1029 118.5104 59.5095 30.0454 178.5456 74 I 3.6986 7.7088 118.0466 64.0162 37.9165 178.0104 75 T 3.8536 8.2146 117.2566 66.6925 67.9518 175.8836 76 Y 3.9999 8.3143 121.7332 60.7959 38.6382 178.1408 77 L 3.8351 7.9858 118.7967 56.9831 41.8037 178.4791 78 T 4.2081 7.6157 107.3313 60.4911 69.6308 174.1848 79 E 3.6495 7.4969 119.7871 57.8291 27.5359 174.5763 80 T 4.2965 7.7158 114.9874 62.5936 69.0737 175.5726 81 K 4.2521 8.6782 128.1966 56.6451 33.7513 175.4188 82 I 4.0213 8.7521 129.3595 60.9294 38.0999 175.3810 83 D 4.5712 9.2864 129.2216 55.4121 41.1486 175.4250 84 K 5.1342 8.6125 115.6878 54.4652 37.2482 174.6610 85 L 5.0238 8.5045 121.4169 53.0815 45.2322 174.6071 86 C 5.1716 8.9309 123.7142 55.1012 46.3943 172.8656 87 V 4.8743 8.4825 118.4567 59.2918 36.4228 174.5144 88 W 5.4874 9.6322 124.4832 55.5041 30.0981 176.3615 89 N 5.3296 9.2987 121.9770 51.6008 37.8061 174.9067 90 N 5.0392 8.2902 114.4939 52.8812 37.8232 174.2904 91 K 4.6935 7.8906 115.8933 55.6780 36.1915 175.8533 92 T 4.5055 8.2822 117.4788 60.9919 70.5918 172.4738 93 P 4.6220 0.0000 0.0000 61.9009 32.8612 175.7216 94 N 4.8223 8.7559 116.9989 54.0569 39.9100 173.9949 95 S 5.0811 8.8524 117.3744 56.7315 64.6382 173.0488 96 I 4.2226 8.7012 128.7767 61.5039 36.6995 175.5653 97 A 4.1222 8.6713 129.4026 53.1927 20.1684 176.7673 98 A 4.5872 7.2143 114.3957 50.8453 22.8995 175.2072 99 I 5.0697 8.1445 118.8354 59.2096 41.4484 174.5291 100 S 4.8980 9.1826 122.7250 56.7845 66.3705 172.6620 101 M 5.0924 8.4322 120.4138 53.7186 35.0547 174.3617 102 E 4.6896 8.2196 119.6882 54.9680 33.4648 175.0943 103 K 4.1747 8.5752 124.0155 56.7634 32.3126 176.8432 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 A 8.25 4.32 1.27 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 0.00 0.00 0.00 2 P 0.00 4.55 0.00 2.28 2.08 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 3 Q 8.78 4.56 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 4 S 7.41 4.59 0.00 3.98 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 5 I 8.27 3.61 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.87 0.00 0.00 6 T 7.75 3.82 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 1.18 0.00 0.00 7 E 7.74 3.88 0.00 1.97 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 0.00 2.31 2.31 0.00 8 L 8.01 4.14 0.00 1.85 1.84 0.96 0.68 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 9 C 8.44 4.27 0.00 3.17 3.13 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 10 S 7.81 4.18 0.00 4.09 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 11 E 7.94 4.08 0.00 1.90 1.58 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 2.23 2.47 0.00 12 Y 7.10 4.80 0.00 2.97 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 13 H 8.75 4.67 0.00 3.33 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.90 4.38 0.00 3.15 3.06 0.00 0.00 6.40 7.05 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 15 T 7.28 5.35 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 1.02 0.00 0.00 16 Q 8.89 4.57 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.02 0.00 17 I 8.07 4.72 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.85 0.00 0.00 18 Y 8.69 4.48 0.00 2.91 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 19 T 8.54 4.51 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 20 I 8.77 3.73 1.89 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.39 -0.05 0.00 0.00 21 N 7.81 4.06 0.00 2.71 2.76 0.00 0.00 6.73 8.47 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 22 D 7.50 4.48 0.00 2.87 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 23 K 8.53 4.85 0.00 1.95 1.85 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 24 I 8.18 3.64 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 0.96 0.00 0.00 25 L 8.47 4.39 0.00 1.68 1.68 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.78 4.74 0.00 3.79 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 27 Y 7.98 4.81 0.00 2.33 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 0.00 0.00 0.00 28 T 8.32 4.46 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 1.08 0.00 0.00 29 E 8.45 4.79 0.00 1.65 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 2.17 2.29 0.00 30 S 9.11 4.81 0.00 3.83 3.68 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 0.00 0.00 0.00 31 M 8.49 4.69 0.00 2.13 2.09 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 2.45 2.49 0.00 32 A 8.07 4.07 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 33 G 8.53 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 34 K 8.78 4.03 0.00 1.97 1.94 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.53 7.81 35 R 7.95 4.68 0.00 1.70 1.83 0.00 3.29 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 36 E 8.28 4.87 0.00 1.96 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 2.38 2.28 0.00 37 M 8.06 4.90 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 38 V 8.30 4.61 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 0.80 0.00 0.00 0.90 0.00 0.00 39 I 8.64 5.06 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.57 0.81 0.00 0.00 40 I 8.89 5.22 1.68 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 2.49 0.96 0.00 0.00 41 T 7.78 5.03 4.09 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 1.13 0.00 0.00 42 F 8.75 5.17 0.00 2.99 2.94 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 43 K 9.22 3.97 0.00 1.84 1.95 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.53 7.81 44 S 8.23 4.14 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 45 G 8.09 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 46 A 7.88 4.00 1.03 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 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.51 4.92 4.03 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 0.00 0.00 0.00 1.13 0.00 0.00 48 F 9.37 5.37 0.00 2.95 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 49 Q 9.14 5.14 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 50 V 8.48 4.33 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 1.01 0.00 0.00 0.99 0.00 0.00 51 E 8.71 4.85 0.00 2.01 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 0.00 2.30 2.13 0.00 52 V 8.29 3.85 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 0.85 0.00 0.00 0.95 0.00 0.00 53 P 0.00 4.19 0.00 2.07 1.99 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 54 G 7.86 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 0.00 0.00 0.00 *58 I 7.20 4.00 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.93 0.00 0.00 59 D 8.45 4.45 0.00 2.69 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 60 S 8.03 4.43 0.00 4.07 4.14 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 61 Q 7.96 4.13 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 62 K 7.57 3.94 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 63 K 8.13 3.97 0.00 1.81 1.88 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.53 7.81 64 A 7.67 4.03 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 65 I 8.19 3.70 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 1.57 1.07 0.94 0.00 0.00 66 E 8.01 3.99 0.00 2.09 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 2.56 2.47 0.00 67 R 8.00 3.87 0.00 1.91 2.12 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 68 M 8.40 3.98 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 69 K 8.08 4.07 0.00 2.07 1.92 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.66 7.81 70 D 8.28 4.42 0.00 2.91 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 71 T 8.59 3.87 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 1.23 0.00 0.00 72 L 8.34 4.05 0.00 1.98 1.93 1.01 0.77 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 73 R 8.10 3.17 0.00 1.83 1.99 0.00 3.01 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.06 0.00 74 I 7.71 3.70 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 1.00 0.00 0.00 75 T 8.21 3.85 4.48 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 1.28 0.00 0.00 76 Y 8.31 4.00 0.00 3.05 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 0.00 77 L 7.99 3.84 0.00 1.61 1.66 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.62 4.21 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 1.23 0.00 0.00 79 E 7.50 3.65 0.00 2.07 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 2.05 2.09 0.00 80 T 7.72 4.30 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 81 K 8.68 4.25 0.00 1.85 1.70 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.49 7.81 82 I 8.75 4.02 2.06 0.00 0.00 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 1.19 0.99 0.93 0.00 0.00 83 D 9.29 4.57 0.00 2.79 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 84 K 8.61 5.13 0.00 1.69 1.57 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.34 7.81 85 L 8.50 5.02 0.00 1.22 1.09 0.37 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.93 5.17 0.00 2.79 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 87 V 8.48 4.87 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 0.32 0.00 0.00 1.29 0.00 0.00 88 W 9.63 5.49 0.00 3.37 3.24 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 89 N 9.30 5.33 0.00 2.82 3.14 0.00 0.00 6.28 8.04 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 90 N 8.29 5.04 0.00 2.87 3.00 0.00 0.00 5.96 7.13 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 91 K 7.89 4.69 0.00 1.97 1.73 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.49 7.81 92 T 8.28 4.51 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 93 P 0.00 4.62 0.00 2.14 1.99 0.00 3.78 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 1.98 1.96 0.00 94 N 8.76 4.82 0.00 3.07 3.11 0.00 0.00 6.32 7.87 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 95 S 8.85 5.08 0.00 4.11 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 0.00 96 I 8.70 4.22 1.89 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 0.97 0.85 0.85 0.00 0.00 97 A 8.67 4.12 -0.16 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 98 A 7.21 4.59 1.07 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 0.00 0.00 99 I 8.14 5.07 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.11 0.90 0.00 0.00 100 S 9.18 4.90 0.00 3.84 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 0.00 101 M 8.43 5.09 0.00 1.87 1.97 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 2.50 2.52 0.00 102 E 8.22 4.69 0.00 1.95 1.75 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 2.22 2.28 0.00 103 K 8.58 4.17 0.00 1.78 1.70 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.