NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3979 8.4444 120.2375 55.8192 30.7917 176.0878 3 R 4.4486 7.5322 114.0342 56.5323 33.0646 172.4602 4 Y 4.4951 8.3034 116.8382 60.3594 41.7559 177.4803 5 R 3.6520 8.5045 116.4251 59.4148 29.1782 179.5897 6 R 3.8947 7.5400 117.2587 59.8375 30.3630 180.4200 7 G 4.0564 7.8464 107.6647 44.8789 0.0000 176.0540 *9 E 4.1486 8.3423 115.8729 55.6589 32.0050 179.7464 10 I 3.8254 7.2793 118.8955 64.3026 37.2069 177.4948 11 L 3.5720 7.6460 120.4454 58.1438 41.5753 180.5558 12 N 4.8571 7.4752 116.0160 52.5073 36.8627 175.9581 13 R 4.3911 8.1167 111.7074 57.9885 32.5924 174.7533 *15 N 4.4749 7.9890 118.6602 53.9719 39.3263 175.7788 16 R 4.0770 7.8466 125.6300 62.8111 29.8207 179.7646 17 K 4.4183 8.1433 124.6900 58.8463 31.5443 180.2377 18 S 4.4011 7.8250 117.1658 60.3263 62.9596 175.8257 19 Y 4.0529 7.6714 122.4564 61.8794 38.5832 177.6346 20 T 3.6963 7.4776 116.6998 66.5370 68.6034 176.0339 21 A 5.3136 7.7934 120.4862 52.2815 17.6098 178.4024 22 I 4.0653 7.9972 113.9142 62.6245 38.4823 176.5682 23 R 4.2760 7.9027 118.0984 57.5694 29.8385 177.1892 24 D 4.7149 7.4226 120.4729 55.2058 40.1623 178.2286 25 E 4.7810 7.3190 112.3315 56.9015 32.6230 180.8627 26 L 3.7342 7.8550 125.5903 59.1582 42.4898 179.0085 27 E 4.1371 8.1319 113.8512 58.5718 29.6042 181.6665 28 D 4.3981 7.5759 118.5233 56.0119 41.8228 175.9279 29 V 4.0021 7.3889 120.2048 59.9392 33.1964 175.9715 30 A 4.0203 8.4579 125.1810 51.8277 18.7968 176.6397 31 P 4.3900 0.0000 0.0000 64.0299 31.7140 178.1074 32 D 3.6777 7.9908 120.8521 57.6009 40.1728 178.4376 33 L 3.8181 7.5889 119.7578 57.7052 41.9251 178.1442 34 A 3.9360 7.7254 118.7360 53.5973 18.9744 178.8311 35 R 4.3426 7.8638 117.8985 59.3292 30.3382 178.2904 36 F 4.6319 8.6225 118.2439 60.6715 38.7744 177.8842 37 V 3.8732 7.7652 118.2808 64.9854 31.0616 178.1308 38 A 3.9542 8.2462 121.7374 55.3269 18.2049 178.4477 39 E 4.9796 9.3725 118.7573 59.4785 29.4927 179.5511 40 F 4.1436 9.2822 120.4575 61.8790 40.1106 177.2899 41 A 3.9410 8.4081 119.8620 55.2981 18.2113 178.1760 42 Y 4.5306 9.0232 112.9281 58.4848 38.2942 177.3120 43 G 4.0478 7.9266 105.6869 44.7643 0.0000 174.3437 44 D 4.7805 7.8335 118.2897 54.2967 42.9994 176.7611 45 V 3.9790 7.2227 115.9242 64.6794 32.9592 177.0190 46 Y 3.9058 8.1214 116.7367 60.7736 38.0552 178.2888 47 S 4.2741 8.1365 113.4621 60.9756 63.2215 175.1833 48 R 4.0329 7.5984 118.9652 56.4979 30.7238 176.4793 49 G 4.2018 8.2242 106.5941 44.9399 0.0000 173.0869 50 V 4.1478 7.6107 115.9339 62.4621 33.4318 175.1195 51 L 4.7209 7.5945 121.0203 52.7806 44.6052 177.1181 52 D 4.4859 8.5769 125.2243 55.3322 41.5466 174.5611 53 L 4.1926 8.7415 124.8298 57.8741 41.8004 179.7298 54 K 3.9842 8.0394 117.6035 59.9627 31.8089 179.2316 55 T 3.8894 7.8389 115.3404 66.7545 68.3397 176.7807 56 R 3.8545 8.2989 120.2758 58.9786 29.9692 178.9725 57 E 4.1724 8.2462 118.7957 59.4095 29.4705 179.2757 58 L 4.1939 7.8278 119.0205 57.2940 41.5597 179.6214 59 L 3.9120 7.6111 119.0370 58.2380 41.6786 179.2882 60 T 3.8533 7.6814 115.1290 66.7303 68.3297 176.4017 61 L 3.9084 7.7922 120.1299 57.7803 41.6005 179.0243 62 A 3.9469 8.0460 120.3769 55.3888 18.2579 179.5278 63 A 3.9356 7.9157 118.6797 55.4543 18.1109 179.9406 64 L 4.0024 8.4634 117.4297 57.7360 41.5155 180.1272 65 T 3.8926 7.9045 116.2271 66.6792 68.2898 176.8219 66 V 3.6046 7.2536 118.7821 66.1113 31.6191 177.6104 67 L 4.1409 8.0081 116.5592 55.1798 41.5179 177.7839 68 R 3.8910 7.8057 116.0172 56.5826 28.3262 176.0073 69 A 4.1955 7.5509 120.1599 52.3931 19.1378 178.3919 70 D 4.7332 8.6009 121.4169 56.1033 42.1715 178.9238 71 D 4.3380 7.9063 118.8722 57.5706 41.1416 178.4979 72 Q 4.0698 8.0876 117.8755 59.0928 28.7166 178.8623 73 L 4.0397 7.8893 120.8091 57.9039 42.3603 178.9253 74 K 3.9389 8.0996 118.7874 59.5522 31.9369 179.3523 75 S 4.3327 8.3492 113.7611 60.8794 63.0901 175.4224 76 H 4.4550 8.0685 119.0197 57.3061 28.8226 177.2330 77 V 3.8560 7.6650 120.1649 65.3016 31.3471 177.9498 78 R 4.0890 7.6398 118.1487 59.0908 29.8877 178.6735 79 G 3.5527 8.1323 106.6775 47.3082 0.0000 175.2255 80 A 4.0839 8.3891 124.6802 55.0210 18.3269 179.6154 81 L 4.2993 7.7884 117.7845 57.7094 41.5721 179.2676 82 N 4.3598 8.0817 115.0620 56.5409 38.6851 176.7106 83 A 4.2610 8.2265 119.6702 52.4680 18.6127 177.4715 84 G 3.9788 8.4015 105.9507 45.7701 0.0000 174.8155 85 C 4.3527 8.2556 119.2598 59.8714 28.7266 173.8810 86 S 4.3887 8.6711 119.1521 57.6254 63.8862 175.3765 87 K 3.8938 8.7928 123.5999 60.7043 31.7831 179.5854 88 D 4.4970 8.2320 120.5196 58.8931 39.2432 180.6033 89 E 4.2288 7.8747 118.2291 59.6642 29.7921 178.8969 90 I 3.8127 7.9375 119.3334 64.4851 36.9936 177.9185 91 I 3.7349 7.9162 120.8007 64.9785 37.4282 177.9010 92 E 4.1995 8.0563 118.5477 59.3543 29.0488 180.4909 93 V 3.7374 7.5721 109.9981 61.7638 31.6574 177.4226 *95 I 4.1890 7.7371 121.3692 61.6468 38.8683 178.6457 96 Q 4.1462 7.8988 120.0280 55.5202 27.6766 178.2762 *98 A 3.9975 8.1125 122.5514 52.0483 20.5163 180.1139 99 V 3.4299 7.2817 114.8150 65.5324 31.7466 176.5964 100 Y 4.2333 7.7852 115.3149 58.8986 38.5398 175.9943 101 A 4.4913 8.0010 119.8655 51.2573 21.0872 177.1036 102 G 4.1293 7.6205 102.9675 45.0163 0.0000 174.9290 103 F 3.9342 9.1332 119.0026 59.9182 38.9124 176.2293 104 P 4.3538 0.0000 0.0000 65.4255 31.1039 178.5228 105 A 3.9083 7.9533 118.7788 55.0977 18.4949 179.2163 106 A 3.8777 7.7779 119.0253 55.5466 18.5882 179.8692 107 I 3.6760 8.3366 118.5243 64.6423 36.6431 178.2545 108 N 4.3491 8.2949 117.6439 56.3462 38.7383 176.9367 109 A 3.9946 8.0292 122.5054 55.0750 18.5743 179.8067 110 V 3.5067 7.7469 116.7742 65.9559 31.3012 178.3205 111 L 3.9586 7.6238 117.5879 57.6581 41.5411 178.9680 112 A 4.0732 7.7204 119.5447 54.9641 18.2868 179.5858 113 A 3.6209 7.9760 119.4553 54.8121 18.0996 179.4584 114 K 3.7310 7.9287 118.2681 59.7960 31.9001 178.5562 115 E 3.9806 7.4434 117.3909 59.6659 29.5463 179.2834 116 V 3.7713 7.5909 116.0141 65.8970 31.6513 177.7433 117 F 4.6610 8.4539 117.3016 59.9737 39.2141 176.2664 118 T 3.9912 9.3003 106.5757 61.3646 68.8391 173.2402 119 E 3.9163 8.7035 121.3579 57.1778 29.4334 176.9522 120 N 4.5309 8.7054 121.6459 53.5604 39.0670 174.4049 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 2 E 8.44 4.40 0.00 2.00 2.03 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 2.24 2.27 0.00 3 R 7.53 4.45 0.00 1.98 1.89 0.00 3.31 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 4 Y 8.30 4.50 0.00 3.03 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 5 R 8.50 3.65 0.00 1.87 1.85 0.00 3.36 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 6 R 7.54 3.89 0.00 2.02 1.97 0.00 3.08 0.00 0.00 3.18 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 7 G 7.85 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 0.00 0.00 0.00 *9 E 8.34 4.15 0.00 2.03 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 2.13 1.91 0.00 10 I 7.28 3.83 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.97 0.00 0.00 11 L 7.65 3.57 0.00 1.28 1.09 -0.64 -0.99 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 12 N 7.48 4.86 0.00 2.77 2.80 0.00 0.00 5.78 7.66 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 13 R 8.12 4.39 0.00 1.80 1.93 0.00 3.07 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 *15 N 7.99 4.47 0.00 2.64 2.77 0.00 0.00 7.20 7.66 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 16 R 7.85 4.08 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 17 K 8.14 4.42 0.00 1.76 1.70 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.06 7.81 18 S 7.83 4.40 0.00 3.85 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 19 Y 7.67 4.05 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 20 T 7.48 3.70 4.43 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 0.00 0.00 0.00 1.18 0.00 0.00 21 A 7.79 5.31 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 22 I 8.00 4.07 1.48 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.07 0.30 0.00 0.00 23 R 7.90 4.28 0.00 1.99 2.15 0.00 2.73 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 24 D 7.42 4.71 0.00 3.02 2.67 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 25 E 7.32 4.78 0.00 1.85 1.84 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 2.22 1.86 0.00 26 L 7.86 3.73 0.00 1.66 1.74 0.92 0.88 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 27 E 8.13 4.14 0.00 2.03 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 2.21 1.86 0.00 28 D 7.58 4.40 0.00 2.61 2.62 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 29 V 7.39 4.00 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 0.73 0.00 0.00 0.89 0.00 0.00 30 A 8.46 4.02 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 31 P 0.00 4.39 0.00 2.18 2.26 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 32 D 7.99 3.68 0.00 2.51 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 0.00 0.00 0.00 33 L 7.59 3.82 0.00 1.63 1.63 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.73 3.94 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 35 R 7.86 4.34 0.00 1.99 1.90 0.00 3.01 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 36 F 8.62 4.63 0.00 3.11 3.09 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 37 V 7.77 3.87 2.33 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 1.29 0.00 0.00 1.29 0.00 0.00 38 A 8.25 3.95 1.25 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 0.00 0.00 39 E 9.37 4.98 0.00 2.41 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 2.76 2.65 0.00 40 F 9.28 4.14 0.00 3.13 3.31 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 0.00 41 A 8.41 3.94 1.42 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 0.00 0.00 0.00 42 Y 9.02 4.53 0.00 2.92 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 43 G 7.93 4.05 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 0.00 0.00 0.00 44 D 7.83 4.78 0.00 2.48 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 0.00 0.00 0.00 0.00 45 V 7.22 3.98 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 0.87 0.00 0.00 0.45 0.00 0.00 46 Y 8.12 3.91 0.00 2.82 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 47 S 8.14 4.27 0.00 3.98 4.18 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 48 R 7.60 4.03 0.00 1.79 1.86 0.00 3.11 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 49 G 8.22 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 50 V 7.61 4.15 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 0.83 0.00 0.00 0.90 0.00 0.00 51 L 7.59 4.72 0.00 1.52 1.46 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.58 4.49 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.74 4.19 0.00 1.82 1.77 1.15 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.04 3.98 0.00 1.86 1.86 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.57 7.81 55 T 7.84 3.89 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 1.18 0.00 0.00 56 R 8.30 3.85 0.00 2.04 1.65 0.00 3.07 0.00 0.00 2.75 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.67 0.00 57 E 8.25 4.17 0.00 2.25 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 0.00 2.63 2.60 0.00 58 L 7.83 4.19 0.00 1.61 1.73 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.61 3.91 0.00 1.82 1.63 0.82 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.68 3.85 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 0.97 0.00 0.00 61 L 7.79 3.91 0.00 1.89 1.73 0.97 1.31 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 62 A 8.05 3.95 1.35 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 0.00 0.00 0.00 63 A 7.92 3.94 1.35 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 0.00 0.00 0.00 64 L 8.46 4.00 0.00 1.65 1.75 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.90 3.89 4.43 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 0.00 0.00 0.00 1.20 0.00 0.00 66 V 7.25 3.60 2.22 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 0.84 0.00 0.00 0.97 0.00 0.00 67 L 8.01 4.14 0.00 1.67 1.72 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.81 3.89 0.00 1.98 2.03 0.00 3.18 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 69 A 7.55 4.20 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 70 D 8.60 4.73 0.00 2.76 2.69 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 0.00 0.00 0.00 0.00 71 D 7.91 4.34 0.00 2.70 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 72 Q 8.09 4.07 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 73 L 7.89 4.04 0.00 1.82 1.69 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.10 3.94 0.00 2.15 1.84 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.54 7.81 75 S 8.35 4.33 0.00 4.04 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 76 H 8.07 4.45 0.00 3.40 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.66 3.86 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 0.98 0.00 0.00 0.98 0.00 0.00 78 R 7.64 4.09 0.00 2.10 2.12 0.00 3.22 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 79 G 8.13 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.08 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 81 L 7.79 4.30 0.00 2.00 1.76 1.13 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.08 4.36 0.00 2.85 2.91 0.00 0.00 7.14 6.83 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 83 A 8.23 4.26 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 84 G 8.40 3.98 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 0.00 0.00 0.00 85 C 8.26 4.35 0.00 3.15 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 86 S 8.67 4.39 0.00 4.00 3.98 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 87 K 8.79 3.89 0.00 1.58 1.55 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 1.04 7.81 88 D 8.23 4.50 0.00 2.68 2.71 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 0.00 0.00 0.00 0.00 89 E 7.87 4.23 0.00 2.16 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 0.00 2.36 2.36 0.00 90 I 7.94 3.81 2.28 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 2.04 1.36 0.97 0.00 0.00 91 I 7.92 3.73 1.97 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 1.94 0.93 0.96 0.00 0.00 92 E 8.06 4.20 0.00 2.23 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 0.00 2.35 2.52 0.00 93 V 7.57 3.74 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 0.82 0.00 0.00 1.05 0.00 0.00 *95 I 7.74 4.19 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.89 0.00 0.00 96 Q 7.90 4.15 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.38 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 *98 A 8.11 4.00 0.41 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 99 V 7.28 3.43 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 0.14 0.00 0.00 0.77 0.00 0.00 100 Y 7.79 4.23 0.00 3.03 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 0.00 101 A 8.00 4.49 1.28 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 0.00 0.00 102 G 7.62 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 0.00 103 F 9.13 3.93 0.00 3.14 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 0.00 104 P 0.00 4.35 0.00 2.19 2.14 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 105 A 7.95 3.91 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 0.00 106 A 7.78 3.88 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 0.00 107 I 8.34 3.68 1.97 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 1.75 1.37 0.94 0.00 0.00 108 N 8.29 4.35 0.00 2.85 3.02 0.00 0.00 7.11 8.31 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 0.00 109 A 8.03 3.99 1.35 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 0.00 0.00 0.00 110 V 7.75 3.51 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 1.02 0.00 0.00 0.97 0.00 0.00 111 L 7.62 3.96 0.00 1.68 1.70 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.72 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 0.00 113 A 7.98 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.93 3.73 0.00 1.93 2.04 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.55 7.81 115 E 7.44 3.98 0.00 2.13 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 2.50 2.45 0.00 116 V 7.59 3.77 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 0.97 0.00 0.00 0.93 0.00 0.00 117 F 8.45 4.66 0.00 3.09 3.02 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 0.00 0.00 0.00 0.00 118 T 9.30 3.99 4.28 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 1.29 0.00 0.00 119 E 8.70 3.92 0.00 2.00 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 2.33 2.33 0.00 120 N 8.71 4.53 0.00 2.90 2.71 0.00 0.00 7.09 7.56 0.00 0.00 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.