NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.5446 8.3349 116.8145 58.6687 64.6958 172.5552 10 F 4.6184 8.7340 122.0971 57.7698 40.3334 176.4594 11 T 4.1242 7.7612 109.6425 63.4538 69.8391 175.6016 12 S 4.3014 8.0485 115.8053 59.8937 63.4892 174.7105 13 R 4.4887 7.6824 118.7039 55.8366 30.6195 175.5932 14 L 4.5082 7.1246 117.9216 52.3234 43.4543 175.4342 15 P 4.3484 0.0000 0.0000 61.8254 33.2486 175.4812 16 P 4.1719 0.0000 0.0000 66.7828 31.2355 178.1997 17 E 3.7117 8.2540 114.7870 60.3298 29.1629 179.2879 18 I 3.5692 7.5741 120.8551 64.7860 37.4316 178.3778 19 V 3.6638 7.6369 118.7414 64.6147 31.3340 178.2386 20 A 4.0304 8.1296 121.0276 55.0960 18.1997 179.4695 21 A 3.9292 7.7951 117.9818 54.6798 18.7755 178.0864 22 L 4.5901 7.6475 117.4054 55.1658 42.4288 177.1035 23 K 4.5108 7.5585 113.6527 56.4764 33.5884 177.0485 *33 R 4.2208 7.8480 117.0022 56.4595 30.8980 175.3243 34 F 4.6959 7.8884 116.8612 58.1479 41.9899 174.2582 35 P 4.4215 0.0000 0.0000 65.4403 31.0340 178.9922 36 R 4.0800 8.0542 114.6632 59.8870 29.7973 178.0975 37 K 3.8161 8.1853 119.2728 58.4719 31.8384 178.3991 38 L 3.5839 7.8586 120.0977 58.7347 42.0867 179.0505 39 H 4.1280 8.3418 117.3589 59.7479 29.7501 176.7144 40 M 4.1166 8.8718 120.1921 58.9387 31.7747 177.6590 41 L 4.1520 8.2706 119.6355 57.0182 41.6673 179.4917 42 L 3.4898 7.8805 120.9369 58.0848 42.7138 179.0634 43 T 4.1400 8.5661 116.2493 66.9734 68.5217 175.9709 44 Y 3.9765 7.7181 121.2522 60.7582 38.9440 178.0085 45 L 3.8683 8.4140 119.4133 57.0411 41.4484 178.9196 46 A 4.5037 7.7300 121.7541 53.0905 18.2616 177.8465 47 S 4.6398 7.3808 111.7664 57.5060 64.0692 174.9239 48 N 4.9127 8.1800 116.0202 53.5525 39.1910 173.3936 49 P 4.0851 0.0000 0.0000 65.6282 31.8762 178.6373 50 Q 4.1829 8.0118 117.1667 58.1115 28.9879 177.4310 51 L 3.9882 7.7946 120.6379 58.4879 42.2826 178.5617 52 E 4.1083 8.4537 118.2259 58.1916 29.3345 177.2136 53 E 4.9647 9.3300 114.8890 56.4531 31.9312 176.6075 54 E 4.2387 8.3844 118.9090 59.2884 30.0717 178.2342 55 I 3.8876 7.6058 117.5985 64.5498 37.2344 176.5134 56 G 3.4875 8.2302 112.4494 47.1701 0.0000 172.8568 57 L 5.5677 7.6919 134.2536 55.2582 45.3700 172.9400 58 S 4.3562 7.8264 118.7857 56.7583 65.9132 175.6016 59 W 4.9224 8.4946 121.9187 57.4291 29.6468 176.2729 60 I 4.2027 8.9031 123.3564 63.1067 37.2688 175.9864 61 S 4.6083 8.3857 109.5137 57.4707 65.3446 174.4305 62 D 4.9943 7.6094 131.2615 54.7228 41.4818 178.7805 63 T 4.5672 8.6676 108.6720 62.9714 69.5485 174.4688 64 E 5.1812 8.0090 120.0600 54.3414 32.9316 174.7473 65 F 5.7769 8.6618 115.0619 55.5108 42.2475 173.0805 66 K 5.4321 9.3787 118.2824 55.7769 36.0516 174.8607 67 M 5.5131 9.1639 117.9041 54.9424 35.4734 173.8186 68 K 5.3177 8.3121 118.8902 53.6286 32.4313 177.3028 69 K 3.9403 8.8206 124.0094 59.4688 32.2549 177.9043 70 K 4.2490 8.1600 117.8024 60.0181 31.9327 178.8241 71 N 4.3071 8.0014 115.6530 56.3578 38.4008 177.5454 72 V 3.1725 7.8274 118.5297 66.0214 31.7688 177.6079 73 A 4.0658 9.1074 121.8129 54.4781 18.3224 178.8936 74 L 3.7744 8.4782 118.3859 58.4183 41.9554 179.4836 75 V 3.6348 8.3965 117.4473 66.5860 31.5447 177.3661 76 M 4.0964 7.5867 116.0739 56.9502 31.8948 177.0398 77 G 3.9340 8.1888 106.1156 45.0680 0.0000 172.5837 78 I 4.6422 7.1667 111.2019 57.6106 40.5823 175.1537 79 K 3.8736 8.5289 119.9989 56.9711 32.2798 175.5500 80 L 3.8578 8.5083 124.3886 56.9994 42.4009 180.4869 *81 N 3.9787 7.6734 117.4270 56.8801 38.8915 178.2861 82 T 4.0864 8.0056 111.9045 64.8665 68.3200 175.4086 83 L 3.8926 7.8728 122.5744 57.6337 42.2494 178.4161 84 N 4.3459 8.0816 114.5147 55.6800 38.9792 176.4288 85 V 3.8650 8.2279 121.2776 64.6846 31.9914 178.1252 86 N 3.8722 8.4106 117.5694 55.5392 38.1158 176.4709 87 L 4.2509 8.0790 121.9454 57.1921 41.7053 179.1961 88 R 4.0345 7.7327 114.7470 59.5965 29.7891 178.1477 89 D 4.6892 7.9270 115.4496 54.1729 40.2587 177.1127 90 L 4.1955 8.0937 114.4278 55.6829 46.0996 174.7913 91 A 4.1773 8.4496 125.6468 53.0242 16.7123 178.6433 92 F 5.0981 7.0114 113.0947 57.0817 39.2342 174.8512 93 E 5.1045 9.1524 122.1424 54.1805 32.3106 175.6089 94 Q 3.3897 9.1270 124.7967 56.5578 29.4372 176.5091 95 L 4.5566 7.6932 115.4995 54.9197 46.1912 175.6925 96 Q 4.4459 7.1637 115.2221 55.4557 31.8258 172.6365 97 H 4.4561 8.1603 119.3213 56.3608 30.4015 174.2909 98 D 5.2380 7.2402 113.5819 54.5028 43.9858 175.1180 99 K 4.5414 8.3384 123.5423 56.3224 36.0966 176.2864 100 G 3.9007 10.1790 107.8433 46.2816 0.0000 173.7629 101 G 4.0395 8.2357 106.9651 44.7051 0.0000 172.5280 102 W 5.6228 10.0711 120.7521 55.2369 31.2328 175.6243 103 T 4.7561 9.3532 114.9660 60.0474 71.1468 173.7597 104 Q 4.5192 8.5805 125.5840 56.2975 29.8924 175.9384 105 W 4.7134 7.9948 115.1721 56.3832 34.1585 174.3892 106 K 4.9760 8.3469 121.7241 54.9839 36.1482 175.3097 107 R 4.2008 8.5382 118.0506 56.0093 32.4262 173.9299 108 S 4.0608 9.1406 122.7909 62.8779 63.1391 176.6409 109 G 4.0132 7.9298 105.7191 45.8960 0.0000 172.5083 110 F 5.1045 8.8656 123.4625 56.4069 40.3411 173.8450 111 T 4.7072 9.6302 123.5487 62.4146 72.6888 176.7267 112 R 2.5100 6.3594 123.7879 58.3018 30.7376 176.5331 113 N 5.0377 7.5095 110.9444 51.9672 41.5445 176.6477 114 S 4.5414 8.4975 112.1870 57.9559 62.0735 174.7618 115 V 3.9272 7.7708 118.6163 63.0736 31.2017 175.9526 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 S 8.33 4.54 0.00 3.94 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 10 F 8.73 4.62 0.00 3.04 3.03 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 11 T 7.76 4.12 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 1.24 0.00 0.00 12 S 8.05 4.30 0.00 4.02 4.04 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 13 R 7.68 4.49 0.00 1.71 1.92 0.00 3.11 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 14 L 7.12 4.51 0.00 1.68 1.38 0.63 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.35 0.00 2.01 1.94 0.00 3.04 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.21 0.00 16 P 0.00 4.17 0.00 2.13 2.10 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 17 E 8.25 3.71 0.00 2.00 1.93 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 2.41 2.50 0.00 18 I 7.57 3.57 1.69 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.27 0.66 0.00 0.00 19 V 7.64 3.66 2.02 0.00 0.00 0.00 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 0.90 0.00 0.00 20 A 8.13 4.03 1.38 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 0.00 0.00 21 A 7.80 3.93 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.65 4.59 0.00 1.77 1.65 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.56 4.51 0.00 1.79 1.75 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 *33 R 7.85 4.22 0.00 1.84 2.02 0.00 3.20 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 34 F 7.89 4.70 0.00 3.02 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 35 P 0.00 4.42 0.00 2.39 2.33 0.00 3.87 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.62 0.00 36 R 8.05 4.08 0.00 2.12 2.28 0.00 3.04 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 37 K 8.19 3.82 0.00 1.77 1.71 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.26 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.62 7.81 38 L 7.86 3.58 0.00 0.83 1.33 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.34 4.13 0.00 3.93 3.76 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.87 4.12 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.78 0.00 41 L 8.27 4.15 0.00 1.89 1.56 0.83 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.88 3.49 0.00 1.59 1.56 -0.10 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.57 4.14 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 Y 7.72 3.98 0.00 3.00 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 45 L 8.41 3.87 0.00 1.76 1.69 0.96 0.93 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 46 A 7.73 4.50 1.40 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 47 S 7.38 4.64 0.00 3.87 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 48 N 8.18 4.91 0.00 2.43 2.49 0.00 0.00 7.23 7.11 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 49 P 0.00 4.09 0.00 2.07 2.10 0.00 3.68 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 50 Q 8.01 4.18 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 51 L 7.79 3.99 0.00 1.66 1.67 0.91 0.40 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 E 8.45 4.11 0.00 2.23 1.95 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 2.39 2.58 0.00 53 E 9.33 4.96 0.00 2.05 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 0.00 2.47 2.35 0.00 54 E 8.38 4.24 0.00 1.91 2.14 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 2.39 2.43 0.00 55 I 7.61 3.89 1.79 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 -0.12 0.94 0.00 0.00 56 G 8.23 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 5.57 0.00 1.78 1.58 0.69 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.83 4.36 0.00 4.08 3.93 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 59 W 8.49 4.92 0.00 3.39 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 60 I 8.90 4.20 1.97 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 1.35 0.37 0.93 0.00 0.00 61 S 8.39 4.61 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 62 D 7.61 4.99 0.00 2.64 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 63 T 8.67 4.57 4.29 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 1.23 0.00 0.00 64 E 8.01 5.18 0.00 2.06 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 2.28 2.31 0.00 65 F 8.66 5.78 0.00 2.63 2.79 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 66 K 9.38 5.43 0.00 1.84 1.90 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.94 1.41 7.81 67 M 9.16 5.51 0.00 2.17 2.24 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 2.67 2.91 0.00 68 K 8.31 5.32 0.00 1.57 1.52 0.00 1.62 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.41 0.21 7.81 69 K 8.82 3.94 0.00 1.87 1.94 0.00 1.82 0.00 0.00 2.09 0.00 0.00 3.25 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.69 1.84 7.81 70 K 8.16 4.25 0.00 1.77 1.85 0.00 1.43 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.62 7.81 71 N 8.00 4.31 0.00 2.95 3.03 0.00 0.00 6.65 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 V 7.83 3.17 2.14 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 0.69 0.00 0.00 1.06 0.00 0.00 73 A 9.11 4.07 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 74 L 8.48 3.77 0.00 1.81 1.77 0.77 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.40 3.63 2.23 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 0.84 0.00 0.00 1.11 0.00 0.00 76 M 7.59 4.10 0.00 2.09 2.30 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 2.55 2.58 0.00 77 G 8.19 3.93 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 0.00 0.00 0.00 78 I 7.17 4.64 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.95 0.00 0.00 79 K 8.53 3.87 0.00 1.87 1.88 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.39 7.81 80 L 8.51 3.86 0.00 1.69 1.51 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 *81 N 7.67 3.98 0.00 2.79 2.74 0.00 0.00 6.31 7.22 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 82 T 8.01 4.09 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 83 L 7.87 3.89 0.00 1.70 2.00 0.88 1.36 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 84 N 8.08 4.35 0.00 2.76 2.95 0.00 0.00 6.94 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 85 V 8.23 3.86 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 0.80 0.00 0.00 0.90 0.00 0.00 86 N 8.41 3.87 0.00 2.27 2.02 0.00 0.00 7.21 8.32 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 87 L 8.08 4.25 0.00 1.59 1.35 0.40 -1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.73 4.03 0.00 2.02 2.26 0.00 3.00 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.66 0.00 89 D 7.93 4.69 0.00 2.69 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 90 L 8.09 4.20 0.00 1.96 1.52 0.78 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.45 4.18 1.17 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 0.00 0.00 92 F 7.01 5.10 0.00 2.69 2.79 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 93 E 9.15 5.10 0.00 2.12 2.15 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 2.34 2.36 0.00 94 Q 9.13 3.39 0.00 1.77 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.80 0.00 0.00 0.00 0.00 0.00 2.20 1.28 0.00 95 L 7.69 4.56 0.00 1.50 1.54 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.16 4.45 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.06 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 97 H 8.16 4.46 0.00 3.05 3.20 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.24 5.24 0.00 2.39 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 0.00 0.00 0.00 99 K 8.34 4.54 0.00 1.95 1.68 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.52 7.81 100 G 10.18 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 0.00 0.00 0.00 101 G 8.24 4.04 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 0.00 102 W 10.07 5.62 0.00 3.48 2.89 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 0.00 103 T 9.35 4.76 4.31 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 1.36 0.00 0.00 104 Q 8.58 4.52 0.00 1.77 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 105 W 7.99 4.71 0.00 2.67 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 0.00 106 K 8.35 4.98 0.00 1.74 1.71 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.38 7.81 107 R 8.54 4.20 0.00 1.74 1.81 0.00 3.15 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 108 S 9.14 4.06 0.00 3.92 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 0.00 109 G 7.93 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 0.00 0.00 0.00 110 F 8.87 5.10 0.00 2.95 3.41 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 0.00 111 T 9.63 4.71 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 1.07 0.00 0.00 112 R 6.36 2.51 0.00 0.72 1.37 0.00 2.94 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.90 0.00 113 N 7.51 5.04 0.00 2.59 2.70 0.00 0.00 6.90 7.57 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 0.00 114 S 8.50 4.54 0.00 4.01 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 0.00 115 V 7.77 3.93 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 0.79 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.