NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3859 0.0000 0.0000 62.0838 33.3605 176.1092 3 K 4.5431 8.4161 120.2956 55.1811 33.8700 174.5927 4 I 3.9301 8.1032 121.8349 61.0234 39.4902 174.7393 5 F 4.9988 8.9346 131.0075 58.8212 40.3182 173.7384 6 C 4.8275 7.8113 118.3354 56.8708 33.7304 172.4530 7 L 4.9280 8.2935 119.4609 52.8583 44.2285 175.3961 8 A 4.9466 9.1377 125.8382 50.0847 22.1459 173.9244 9 D 5.1449 9.3235 123.9137 52.8219 42.9995 175.3983 10 V 4.8815 8.9988 126.3456 60.0646 34.1648 174.3745 11 C 5.0459 8.8111 123.3251 57.5296 35.4827 172.8134 *13 V 4.1554 8.0985 114.3425 60.5344 32.9502 172.8531 14 P 4.6484 0.0000 0.0000 61.7398 32.7046 174.8861 15 I 4.2479 8.8039 123.7900 60.5876 39.2260 176.0301 16 G 3.8661 9.0592 114.4989 45.5610 0.0000 173.3144 17 T 4.2590 7.4296 109.6283 60.6461 69.7951 174.1461 18 D 4.6114 8.3875 119.5621 54.0104 39.9870 176.1068 19 S 4.6200 7.4446 112.6803 56.4855 65.5691 173.7585 20 A 4.0729 8.5376 127.9924 54.4327 18.5199 177.9129 21 S 4.3811 7.9626 111.9161 58.0604 62.8557 173.6096 22 I 4.6917 8.2440 119.7534 60.1589 38.1879 177.3515 23 S 4.2477 8.1842 118.6326 61.8523 62.5075 175.9404 24 D 4.3561 8.1237 122.5819 57.2145 40.6197 178.1235 25 F 3.9308 8.2402 120.6824 61.1749 39.3717 177.0965 26 V 3.4141 7.9150 117.6377 65.9430 31.3668 177.8018 27 A 3.9190 8.1680 120.6198 54.9311 17.8975 179.1659 28 L 3.9193 8.0077 119.2057 58.4884 42.1043 179.4175 29 I 3.6669 7.5435 113.0093 63.7477 37.4658 177.7075 30 E 3.8171 8.3344 121.4043 59.0409 29.2331 178.9574 31 K 3.9305 7.8516 117.5245 59.2853 32.2243 178.9456 32 K 3.8782 7.6066 119.6816 59.4079 32.0161 179.0547 33 I 3.6852 7.8295 120.3956 64.2164 36.8185 178.1978 34 R 4.1237 7.9069 117.0218 57.9853 30.0126 178.0731 35 E 4.1069 7.5583 118.0492 57.4397 29.9569 177.1076 36 S 4.3111 7.0473 113.1295 57.2233 62.9657 172.2879 37 P 4.4550 0.0000 0.0000 64.1553 31.7468 176.8210 38 L 4.1161 7.5272 119.9653 54.3715 42.3005 176.5531 39 K 4.3430 8.5603 124.2744 56.5388 33.1984 175.7014 40 S 5.3274 8.5526 120.7942 57.0530 66.6624 173.3834 41 T 4.5926 8.9101 118.0681 61.8393 71.9439 172.7338 42 L 4.7451 8.6465 129.1255 54.4947 43.0346 175.1444 43 H 5.0515 8.9545 120.5904 53.6019 31.9295 174.1872 44 S 4.1098 8.8816 112.9170 60.6957 62.7824 174.8432 45 A 4.6147 9.5223 121.8048 49.6743 19.3558 176.9258 46 G 3.8520 5.6545 106.2510 46.3332 0.0000 172.0470 47 T 4.9750 8.1976 116.1074 62.0947 72.6839 173.4567 48 T 4.9101 9.0743 123.2718 62.3369 70.5056 173.7917 49 I 5.0585 9.0580 127.8912 59.3415 40.3074 174.5418 50 E 4.7823 9.7749 123.3562 54.5307 33.0587 176.2457 51 G 4.1205 7.1272 106.5735 43.4459 0.0000 170.8880 52 P 4.8809 0.0000 0.0000 62.0449 32.9151 176.8141 53 W 4.1096 8.8714 132.4519 60.9981 30.9827 177.9227 54 D 4.6426 8.2812 118.3459 56.8039 38.7137 178.3224 55 D 4.4981 8.0449 119.7535 56.8578 40.9037 178.3607 56 V 3.6193 7.6599 115.4528 63.7509 31.0778 177.5321 *58 G 3.9060 7.8898 107.2998 45.3405 0.0000 175.4312 59 L 4.0495 7.9426 121.7231 57.9365 42.0412 179.0667 60 I 3.7583 7.7172 119.9002 64.3665 37.0332 178.6551 61 G 3.6077 7.9816 106.0252 47.8979 0.0000 175.4618 62 E 4.0855 8.2835 120.9204 59.1497 29.3329 179.5278 63 I 3.7813 7.9575 120.2043 64.4770 37.1066 178.1318 64 H 4.0957 8.2925 117.0226 59.0952 28.5738 177.6337 65 E 4.1115 8.3449 120.2688 59.6500 29.2558 178.9216 66 Y 4.3006 8.5342 120.0828 60.5984 38.9176 178.2362 67 G 3.6802 8.4244 107.0351 48.3815 0.0000 175.4047 68 H 5.2622 8.3183 120.2796 58.1117 28.4584 177.5830 69 E 4.0562 8.2579 120.5965 58.6793 29.4899 177.9775 70 K 4.2871 7.5087 116.4448 56.3115 32.2813 177.5390 71 G 3.9099 7.8664 108.8344 45.3983 0.0000 174.1239 72 Y 4.0802 7.9344 118.9501 57.8850 38.2362 177.0546 73 V 3.8158 8.4643 124.7830 65.0509 32.3917 175.9866 74 R 4.7901 7.7935 119.4366 54.7073 33.4952 173.7652 75 V 4.7388 8.6084 125.4589 61.2386 34.2430 173.7155 76 H 5.0514 9.0907 127.6775 54.7162 31.7470 173.0952 77 T 4.9189 8.4191 121.1290 61.7374 72.3727 172.5202 78 D 4.9396 9.1364 125.0462 52.4735 43.8772 174.6509 79 I 4.9361 8.3862 125.7664 59.5330 40.5072 174.8102 80 R 4.7593 8.8666 126.2090 54.3511 32.2606 175.5249 81 V 5.4180 7.8613 122.7450 58.9517 34.6388 175.0117 82 G 4.5055 8.5816 108.8112 44.9142 0.0000 171.1811 83 T 5.2679 8.4891 111.0209 59.9497 72.0247 173.2098 84 R 4.7075 8.5911 117.8665 55.6025 32.0499 174.8449 85 T 4.5057 8.3985 108.2350 61.6121 69.7853 174.7945 86 D 4.5551 8.0078 121.4466 54.9132 40.2301 176.1143 87 K 4.2504 7.4300 115.8138 56.5317 34.4801 173.3955 88 H 4.6280 8.7358 120.2310 54.8370 30.7316 174.3515 89 Q 4.4786 8.1736 127.1745 53.8428 31.7995 175.0353 90 T 4.5800 8.8537 116.3599 60.6760 71.8117 175.5979 91 A 4.0223 9.1137 122.9811 55.3000 18.2313 179.7637 92 Q 3.9476 8.0207 117.7233 59.3386 29.2285 177.8489 93 D 4.3678 8.1655 120.1002 57.0566 40.2892 178.6102 94 K 3.8793 8.0531 120.1490 59.7205 32.2189 178.7868 95 I 3.8028 7.6782 118.2638 63.9003 37.8313 177.5430 96 D 4.3336 8.2436 120.1482 57.1887 40.6300 178.8356 97 V 3.5613 7.8235 118.8039 65.8590 31.4572 178.2444 98 V 3.5444 7.4334 116.9508 66.0656 31.3844 177.7161 99 L 3.9466 8.0208 118.8073 57.7670 41.2619 179.4612 100 K 3.8679 7.7506 117.9655 59.7181 32.4945 178.7050 101 K 4.0981 8.0955 118.5174 59.4985 31.6595 179.4632 102 I 3.8179 7.9069 120.1155 63.9239 37.0399 177.5555 103 S 4.6036 7.5839 112.1425 58.5404 63.1129 174.2472 104 Q 4.1331 7.8358 127.2234 56.5011 29.4266 174.9442 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 P 0.00 4.39 0.00 1.79 1.82 0.00 3.53 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 3 K 8.42 4.54 0.00 1.72 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.69 1.55 7.81 4 I 8.10 3.93 1.89 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 1.29 1.64 0.95 0.00 0.00 5 F 8.93 5.00 0.00 3.12 3.06 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 6 C 7.81 4.83 0.00 3.10 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 7 L 8.29 4.93 0.00 1.53 1.52 0.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 A 9.14 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 9.32 5.14 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.00 4.88 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 0.86 0.00 0.00 0.90 0.00 0.00 11 C 8.81 5.05 0.00 3.09 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 *13 V 8.10 4.16 1.99 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 0.73 0.00 0.00 0.98 0.00 0.00 14 P 0.00 4.65 0.00 1.82 0.49 0.00 3.40 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.43 0.00 15 I 8.80 4.25 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.88 0.00 0.00 16 G 9.06 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 17 T 7.43 4.26 4.27 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 1.32 0.00 0.00 18 D 8.39 4.61 0.00 2.79 2.80 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 19 S 7.44 4.62 0.00 3.91 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 20 A 8.54 4.07 1.29 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 0.00 0.00 0.00 21 S 7.96 4.38 0.00 3.88 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 22 I 8.24 4.69 1.90 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 1.49 0.68 0.89 0.00 0.00 23 S 8.18 4.25 0.00 4.09 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 24 D 8.12 4.36 0.00 2.86 2.87 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 25 F 8.24 3.93 0.00 2.87 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 26 V 7.92 3.41 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 1.01 0.00 0.00 1.07 0.00 0.00 27 A 8.17 3.92 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.01 3.92 0.00 1.85 1.78 0.97 0.82 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 29 I 7.54 3.67 1.63 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.24 0.15 0.00 0.00 30 E 8.33 3.82 0.00 2.14 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 2.27 2.35 0.00 31 K 7.85 3.93 0.00 1.92 1.83 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.42 7.81 32 K 7.61 3.88 0.00 1.52 1.76 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.85 1.20 7.81 33 I 7.83 3.69 1.94 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 1.44 1.14 0.85 0.00 0.00 34 R 7.91 4.12 0.00 1.87 1.95 0.00 3.13 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 35 E 7.56 4.11 0.00 1.98 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 2.28 2.43 0.00 36 S 7.05 4.31 0.00 3.76 3.89 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 37 P 0.00 4.45 0.00 2.22 2.15 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 38 L 7.53 4.12 0.00 1.65 1.78 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.56 4.34 0.00 1.92 1.73 0.00 1.56 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.52 7.81 40 S 8.55 5.33 0.00 3.81 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 41 T 8.91 4.59 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 42 L 8.65 4.75 0.00 1.75 1.54 0.99 0.97 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 43 H 8.95 5.05 0.00 3.31 3.36 0.00 5.52 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.88 4.11 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 A 9.52 4.61 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 46 G 5.65 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 0.00 0.00 0.00 47 T 8.20 4.97 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 1.19 0.00 0.00 48 T 9.07 4.91 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 1.19 0.00 0.00 49 I 9.06 5.06 1.76 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 1.22 0.65 0.82 0.00 0.00 50 E 9.77 4.78 0.00 1.99 1.76 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 2.23 2.36 0.00 51 G 7.13 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 0.00 0.00 0.00 52 P 0.00 4.88 0.00 2.48 2.21 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 53 W 8.87 4.11 0.00 3.55 3.32 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 54 D 8.28 4.64 0.00 3.03 3.19 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 55 D 8.04 4.50 0.00 2.84 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 56 V 7.66 3.62 1.77 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 0.75 0.00 0.00 0.84 0.00 0.00 *58 G 7.89 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 0.00 0.00 0.00 59 L 7.94 4.05 0.00 1.82 1.79 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.72 3.76 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.90 0.00 0.00 61 G 7.98 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 4.09 0.00 2.19 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 2.60 0.00 63 I 7.96 3.78 2.04 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 1.72 0.93 0.84 0.00 0.00 64 H 8.29 4.10 0.00 3.43 3.41 0.00 5.63 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 65 E 8.34 4.11 0.00 2.25 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 0.00 2.42 2.65 0.00 66 Y 8.53 4.30 0.00 3.09 3.16 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 67 G 8.42 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 0.00 0.00 0.00 68 H 8.32 5.26 0.00 3.41 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.26 4.06 0.00 2.10 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 2.31 2.38 0.00 70 K 7.51 4.29 0.00 2.00 1.78 0.00 1.49 0.00 0.00 1.13 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.02 0.92 7.81 71 G 7.87 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 0.00 0.00 0.00 72 Y 7.93 4.08 0.00 3.36 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 73 V 8.46 3.82 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 0.76 0.00 0.00 0.92 0.00 0.00 74 R 7.79 4.79 0.00 1.90 1.89 0.00 3.17 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 75 V 8.61 4.74 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 0.68 0.00 0.00 0.85 0.00 0.00 76 H 9.09 5.05 0.00 3.08 3.12 0.00 5.94 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.42 4.92 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 1.25 0.00 0.00 78 D 9.14 4.94 0.00 2.65 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 79 I 8.39 4.94 1.82 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 1.28 0.75 0.79 0.00 0.00 80 R 8.87 4.76 0.00 1.72 1.82 0.00 3.07 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 81 V 7.86 5.42 1.91 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 0.63 0.00 0.00 0.78 0.00 0.00 82 G 8.58 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 5.27 4.33 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 1.45 0.00 0.00 84 R 8.59 4.71 0.00 2.11 1.94 0.00 3.05 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 85 T 8.40 4.51 4.26 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 1.23 0.00 0.00 86 D 8.01 4.56 0.00 2.82 2.85 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 87 K 7.43 4.25 0.00 1.83 1.77 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.34 7.81 88 H 8.74 4.63 0.00 2.98 3.17 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.17 4.48 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 90 T 8.85 4.58 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 1.26 0.00 0.00 91 A 9.11 4.02 1.43 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 0.00 0.00 0.00 92 Q 8.02 3.95 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 93 D 8.17 4.37 0.00 2.96 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 94 K 8.05 3.88 0.00 2.01 1.98 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 95 I 7.68 3.80 1.86 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 1.52 1.40 0.95 0.00 0.00 96 D 8.24 4.33 0.00 2.94 2.70 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 97 V 7.82 3.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.97 0.00 0.00 98 V 7.43 3.54 2.21 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 1.06 0.00 0.00 0.99 0.00 0.00 99 L 8.02 3.95 0.00 1.72 1.72 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.75 3.87 0.00 1.83 2.03 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.49 7.81 101 K 8.10 4.10 0.00 2.00 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.63 7.81 102 I 7.91 3.82 2.03 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 1.58 0.72 0.91 0.00 0.00 103 S 7.58 4.60 0.00 4.00 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 0.00 104 Q 7.84 4.13 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.