NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 4.0069 8.3544 109.7435 45.5877 0.0000 172.2508 12 Y 4.4411 9.1332 121.9200 57.1021 42.3400 174.8833 13 D 4.0800 8.7089 127.9017 55.1612 39.5765 174.7401 14 E 4.2531 7.6329 120.1651 58.9005 29.9011 178.9998 15 E 3.9383 7.9027 118.4144 58.9255 29.9366 178.3935 16 K 3.7897 7.9265 119.1208 59.6227 32.2414 178.3403 17 V 3.5387 8.1324 118.5473 66.3116 31.4353 177.2893 18 N 4.5952 8.5201 118.1581 56.0804 38.7751 176.5837 19 R 3.8134 8.3234 120.2619 59.6189 29.8839 178.6219 20 I 3.7843 7.9660 119.3234 64.1212 36.9206 178.2224 21 Q 4.2201 8.0442 118.9703 58.1001 28.6036 178.5173 22 G 3.5686 8.0705 107.1586 47.8368 0.0000 175.3447 23 D 4.4205 7.9424 121.0939 57.3901 40.5383 179.1825 24 L 4.1323 7.6382 118.4813 57.5295 41.3795 179.2696 25 Q 4.1250 7.7529 116.9902 57.7483 28.7806 176.7727 26 T 4.4423 7.2853 106.9982 61.1977 69.5129 174.7818 27 V 4.3998 7.2255 115.1961 59.6487 35.1923 176.4310 28 D 4.6423 8.3516 124.0065 52.8528 37.9487 176.9728 29 I 3.6502 7.5324 125.3879 65.0567 37.8190 177.9030 30 S 4.1896 8.1322 113.1780 61.1851 62.2725 175.9074 31 G 3.8264 8.1195 107.7464 46.4969 0.0000 176.1270 32 V 3.6073 7.4784 120.7766 66.2104 31.4619 178.2541 33 S 4.1510 8.1115 114.7497 61.3069 62.4852 176.8355 34 Q 3.9199 7.5857 119.7699 58.9560 28.5682 178.1136 35 I 3.6477 7.4970 119.1257 64.3993 37.9441 177.8082 36 L 4.1310 8.1763 119.3747 57.0934 41.1383 179.2864 37 K 3.9725 7.8199 119.8077 59.1888 31.8681 178.5208 38 A 3.8188 8.1917 120.7379 55.2886 18.4413 179.0867 39 I 3.7639 7.6129 116.7691 64.4989 37.3402 178.0199 40 A 4.1141 8.1586 120.5963 54.2417 18.7021 177.5873 41 D 4.2525 7.1865 116.2815 54.5596 41.6762 177.0692 42 E 3.8955 9.1597 125.2682 60.1913 28.7355 179.3182 43 N 4.4187 8.1498 116.5550 55.2468 38.7975 177.6207 44 R 3.9276 7.9684 119.2456 58.8282 30.0253 178.8570 45 A 4.0338 8.2616 121.0586 55.1618 18.3970 179.7382 46 K 4.0265 7.7654 116.4893 59.7512 31.9445 179.6273 47 I 3.9027 7.5408 119.0025 64.3432 36.8808 178.5806 48 T 3.8837 7.9733 116.0131 66.7277 68.5531 175.6462 49 Y 4.2177 8.4908 121.6340 60.8755 38.9384 178.2101 50 A 3.8963 8.4225 121.7668 54.5932 18.2362 178.6357 51 L 4.5020 7.2724 115.1060 55.7551 42.2145 177.8888 52 C 4.2827 7.8629 116.3568 60.7750 28.3309 173.9614 53 Q 4.2652 7.4052 118.2091 56.7475 29.7966 175.6056 54 D 4.9474 7.5411 115.5812 52.0649 43.2071 175.8423 55 E 4.0871 8.9252 124.6688 58.9212 29.9116 176.0949 56 E 5.6831 7.7244 115.2523 53.8294 33.3254 174.8522 57 L 4.8860 8.4242 120.6546 53.7345 46.8317 174.6468 58 C 5.2875 8.6687 116.3265 56.6245 32.2570 175.2597 59 V 3.5660 8.5205 119.2808 64.9321 30.7443 178.2401 60 C 4.0971 8.0758 116.9895 62.8273 27.9356 175.0724 61 D 4.4277 8.2225 119.9045 57.8798 40.3404 179.1142 62 I 3.6873 7.7515 119.4384 64.3709 37.0688 178.4692 63 A 3.9402 8.1084 121.4133 55.1702 17.7463 179.0367 64 N 4.2303 8.2531 115.6387 57.0317 38.7515 177.0598 65 I 3.7539 8.4775 121.0655 64.4270 37.3302 178.1079 66 L 4.2141 8.1417 118.3059 54.9433 42.3058 176.6751 67 G 3.6948 8.2142 105.0495 46.1219 0.0000 172.4421 68 V 4.5187 7.9044 110.7441 59.5167 36.6238 175.5779 69 T 4.2428 8.1390 110.2618 61.3330 69.7503 175.7071 70 I 3.6892 8.4482 123.5504 65.1078 37.0099 177.5770 71 A 3.8340 8.2614 119.7761 55.6476 17.3901 178.5367 72 N 4.0832 8.2966 112.7084 57.4232 39.2650 176.4926 73 A 3.8478 8.5538 120.2483 55.7707 18.0251 179.4309 74 S 3.9652 8.2855 113.9923 62.3961 63.6247 176.0416 75 H 3.9843 8.6093 119.8004 59.9224 29.2829 176.3191 76 H 4.0864 8.0440 115.8383 59.2898 29.1173 177.5803 77 L 4.0469 8.0244 119.5614 56.7635 41.0684 178.9248 78 R 4.4492 8.1190 117.3372 57.7102 31.7025 177.9086 79 T 4.0766 7.8917 115.2273 67.1557 68.3988 176.1211 80 L 4.1905 8.2150 120.4635 57.8458 41.7286 178.9336 81 Y 4.4302 8.0338 120.4542 59.8552 38.3979 178.0610 82 K 4.0512 8.4036 120.4767 58.6495 32.3852 177.2503 83 Q 4.3583 7.7607 115.6656 55.3024 28.9599 175.5892 84 G 3.8578 7.7478 104.3441 46.5587 0.0000 176.3888 85 V 3.6960 8.1835 122.1405 64.8471 32.4611 176.3195 86 V 4.9190 7.8121 111.7488 59.7345 35.4722 173.9283 87 N 5.3390 8.8905 118.6497 51.4582 42.8618 173.3246 88 F 4.8161 8.2686 113.6198 55.2400 40.7573 174.2414 89 R 4.8736 8.4648 116.1476 54.5470 33.7284 174.2037 90 K 4.2123 8.4384 118.9631 54.9105 32.7306 177.7659 *94 L 3.9401 8.1632 127.1701 55.1978 41.2788 178.1324 95 A 4.4887 7.7267 119.7669 51.7719 20.0965 178.2451 96 L 4.8967 8.1383 122.8664 53.9619 44.1385 176.0982 97 Y 4.9285 9.8743 123.0502 56.9834 39.7240 175.0015 98 S 5.3123 8.3678 115.8783 54.9905 67.4943 172.4475 99 L 4.4041 8.5369 121.8822 54.9375 41.8458 177.1008 100 G 3.8738 10.0360 112.9415 48.5016 0.0000 173.2496 101 G 4.0577 7.5036 107.0618 44.0840 0.0000 173.6319 102 E 3.9122 8.4985 117.7034 59.4907 29.3214 179.2412 103 A 3.9504 8.0266 120.3394 55.4676 18.3492 179.4902 104 I 3.6246 7.4994 118.0694 64.5990 37.2489 178.5235 105 R 3.8976 7.9936 118.8770 59.5905 29.8130 178.2518 106 Q 4.0180 8.6843 117.9811 59.0553 28.7564 179.0159 107 I 3.6896 7.8751 120.6675 64.5708 37.1103 178.1696 108 M 4.0655 8.0275 118.9702 59.1189 32.0446 178.2221 109 M 4.1514 8.2314 118.7428 58.0974 31.6810 178.8573 110 I 3.6769 8.2187 120.3530 64.2393 37.2346 177.9695 111 A 4.0901 7.9986 121.4742 55.5308 18.0328 179.6623 112 L 3.6570 8.2136 117.0738 57.8491 41.4094 179.8520 113 A 4.0665 8.0918 120.1448 55.2184 18.4525 178.7725 114 H 4.1590 9.1383 116.3375 59.4880 30.0676 176.9236 115 K 3.9379 8.5948 120.7847 59.2963 31.9729 176.7171 116 K 4.2191 7.5370 122.0113 56.6037 32.3104 176.1145 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 11 G 8.35 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 12 Y 9.13 4.44 0.00 2.85 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 13 D 8.71 4.08 0.00 2.32 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.63 4.25 0.00 1.95 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 0.00 2.39 2.34 0.00 15 E 7.90 3.94 0.00 1.97 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 2.36 2.32 0.00 16 K 7.93 3.79 0.00 1.76 1.73 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 17 V 8.13 3.54 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 1.02 0.00 0.00 0.99 0.00 0.00 18 N 8.52 4.60 0.00 2.92 2.81 0.00 0.00 6.43 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 19 R 8.32 3.81 0.00 1.88 2.13 0.00 3.15 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 20 I 7.97 3.78 1.87 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 1.66 1.03 0.91 0.00 0.00 21 Q 8.04 4.22 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 22 G 8.07 3.57 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 0.00 0.00 0.00 23 D 7.94 4.42 0.00 2.95 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 24 L 7.64 4.13 0.00 1.84 1.71 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.75 4.13 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 26 T 7.29 4.44 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 1.29 0.00 0.00 27 V 7.23 4.40 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 0.74 0.00 0.00 1.01 0.00 0.00 28 D 8.35 4.64 0.00 2.77 2.56 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 0.00 0.00 0.00 0.00 29 I 7.53 3.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.91 0.00 0.00 30 S 8.13 4.19 0.00 3.88 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 31 G 8.12 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 0.00 0.00 0.00 32 V 7.48 3.61 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 1.01 0.00 0.00 0.96 0.00 0.00 33 S 8.11 4.15 0.00 3.92 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 34 Q 7.59 3.92 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 35 I 7.50 3.65 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.34 0.97 0.00 0.00 36 L 8.18 4.13 0.00 1.73 1.69 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.82 3.97 0.00 2.04 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 38 A 8.19 3.82 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 39 I 7.61 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.58 0.92 0.00 0.00 40 A 8.16 4.11 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 41 D 7.19 4.25 0.00 2.87 2.59 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 42 E 9.16 3.90 0.00 2.21 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 0.00 2.37 2.44 0.00 43 N 8.15 4.42 0.00 2.73 2.72 0.00 0.00 7.09 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 44 R 7.97 3.93 0.00 1.94 1.95 0.00 3.13 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 45 A 8.26 4.03 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 46 K 7.77 4.03 0.00 2.00 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.75 7.81 47 I 7.54 3.90 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.33 0.89 0.00 0.00 48 T 7.97 3.88 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 1.24 0.00 0.00 49 Y 8.49 4.22 0.00 3.09 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 50 A 8.42 3.90 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 51 L 7.27 4.50 0.00 1.74 1.72 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 C 7.86 4.28 0.00 2.76 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 53 Q 7.41 4.27 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.62 0.00 0.00 0.00 0.00 0.00 1.91 2.19 0.00 54 D 7.54 4.95 0.00 2.60 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 55 E 8.93 4.09 0.00 1.99 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 2.38 2.34 0.00 56 E 7.72 5.68 0.00 1.86 1.82 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 2.22 2.16 0.00 57 L 8.42 4.89 0.00 1.62 1.54 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.67 5.29 0.00 3.02 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 59 V 8.52 3.57 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 0.91 0.00 0.00 0.86 0.00 0.00 60 C 8.08 4.10 0.00 3.00 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 61 D 8.22 4.43 0.00 3.01 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.75 3.69 1.94 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 1.60 0.82 0.86 0.00 0.00 63 A 8.11 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 64 N 8.25 4.23 0.00 3.00 2.95 0.00 0.00 7.29 7.39 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 65 I 8.48 3.75 1.88 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 1.54 0.83 0.94 0.00 0.00 66 L 8.14 4.21 0.00 1.75 1.73 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.21 3.69 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 0.00 0.00 0.00 68 V 7.90 4.52 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 0.75 0.00 0.00 0.95 0.00 0.00 69 T 8.14 4.24 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 1.21 0.00 0.00 70 I 8.45 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.91 0.00 0.00 71 A 8.26 3.83 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 72 N 8.30 4.08 0.00 2.80 2.96 0.00 0.00 7.22 7.99 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 73 A 8.55 3.85 1.31 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 0.00 0.00 74 S 8.29 3.97 0.00 4.09 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 75 H 8.61 3.98 0.00 3.12 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.04 4.09 0.00 3.44 3.31 0.00 5.70 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 77 L 8.02 4.05 0.00 1.64 1.38 0.33 0.58 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 78 R 8.12 4.45 0.00 2.04 2.03 0.00 3.27 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 79 T 7.89 4.08 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 80 L 8.21 4.19 0.00 1.77 1.77 0.93 0.64 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 81 Y 8.03 4.43 0.00 3.28 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 82 K 8.40 4.05 0.00 2.09 2.02 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 83 Q 7.76 4.36 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 84 G 7.75 3.86 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 0.00 0.00 0.00 85 V 8.18 3.70 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 0.94 0.00 0.00 0.92 0.00 0.00 86 V 7.81 4.92 2.44 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 0.85 0.00 0.00 1.32 0.00 0.00 87 N 8.89 5.34 0.00 2.61 2.64 0.00 0.00 6.93 8.30 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 88 F 8.27 4.82 0.00 2.48 2.56 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 0.00 0.00 0.00 0.00 89 R 8.46 4.87 0.00 1.92 2.09 0.00 2.76 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 90 K 8.44 4.21 0.00 1.69 1.68 0.00 1.42 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.27 7.81 *94 L 8.16 3.94 0.00 1.75 1.76 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.73 4.49 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 96 L 8.14 4.90 0.00 1.50 1.59 1.00 1.06 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 97 Y 9.87 4.93 0.00 3.01 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 98 S 8.37 5.31 0.00 3.88 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 99 L 8.54 4.40 0.00 1.67 1.61 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 100 G 10.04 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 0.00 101 G 7.50 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 0.00 102 E 8.50 3.91 0.00 1.98 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 2.39 2.32 0.00 103 A 8.03 3.95 1.31 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 0.00 0.00 104 I 7.50 3.62 2.04 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 1.40 0.55 0.92 0.00 0.00 105 R 7.99 3.90 0.00 1.86 2.07 0.00 3.27 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 106 Q 8.68 4.02 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 107 I 7.88 3.69 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.07 0.91 0.00 0.00 108 M 8.03 4.07 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.81 0.00 109 M 8.23 4.15 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.91 0.00 110 I 8.22 3.68 1.98 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 1.46 0.74 0.92 0.00 0.00 111 A 8.00 4.09 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 0.00 112 L 8.21 3.66 0.00 1.73 1.73 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.09 4.07 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 0.00 114 H 9.14 4.16 0.00 3.16 3.47 0.00 5.97 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.59 3.94 0.00 1.85 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.49 7.81 116 K 7.54 4.22 0.00 1.96 1.80 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.