NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 5.7616 8.6798 120.0430 56.8060 43.6480 172.1761 5 S 4.7988 8.3690 120.1792 55.3690 65.2258 173.6470 6 L 3.9903 9.1044 123.8987 57.5788 42.7839 179.3525 7 T 3.9348 7.7881 115.6950 64.1050 69.4581 172.9267 8 G 3.6726 7.4924 111.4621 44.0772 0.0000 171.7155 9 K 4.9718 8.1295 120.0358 54.4070 35.2109 175.6272 10 W 5.4723 9.2796 124.6283 55.2534 33.3233 174.2571 11 T 5.9979 9.5892 115.5838 60.1269 71.2363 171.9457 12 N 5.2990 8.6564 120.5082 50.2032 39.9389 173.4126 13 D 4.5076 8.7659 116.9400 56.7572 39.7317 177.6075 14 L 4.1008 7.9561 118.9228 56.2715 41.9861 177.3468 15 G 4.2699 9.7803 107.7415 46.1569 0.0000 173.3212 16 S 4.9896 8.5605 113.8996 56.5205 66.3574 173.7526 17 N 5.5591 8.6351 120.1542 52.0129 41.5920 173.5948 18 M 4.9120 9.0712 120.7344 54.2258 36.3456 173.7427 19 T 5.0540 8.9052 122.1197 61.7723 72.1327 172.9592 20 I 4.6602 8.5504 126.4263 59.6524 40.6643 175.9419 21 G 4.4576 8.6304 114.4203 45.0299 0.0000 173.3541 22 A 4.3445 8.8705 121.9902 51.4816 19.0434 177.4558 23 V 5.2056 8.2239 118.9877 58.7367 33.4817 175.8787 24 N 4.6314 8.5786 122.5298 52.2555 37.8843 175.3439 25 S 4.3076 8.5282 111.6161 60.4128 63.0505 174.8493 26 R 4.2621 8.6916 119.7523 56.1730 30.5034 177.2668 27 G 4.0500 8.2929 107.9315 44.8350 0.0000 173.5869 28 E 4.5582 8.0396 119.2353 56.7153 31.0340 175.6117 29 F 5.0980 7.8026 114.3280 56.7269 41.6615 172.8199 30 T 5.0811 8.1413 115.5674 62.3031 73.3616 172.9099 31 G 3.9759 7.9034 108.2999 46.7879 0.0000 172.1659 32 T 5.2144 8.5353 115.8474 61.7037 72.3666 173.0779 33 Y 4.6499 9.3165 125.7804 56.1714 41.6822 174.1757 34 T 5.3372 8.8907 124.1929 62.0543 71.6097 173.7238 35 T 5.0538 8.4430 114.3853 60.3694 72.5313 173.0278 36 A 4.3579 8.6076 128.9664 51.4486 19.4937 176.6975 *44 I 4.0875 7.9474 114.8813 60.6213 38.4391 175.0760 45 K 4.6303 8.4273 120.0850 54.8614 35.9232 175.0368 46 E 5.1400 9.0046 124.3936 55.3396 31.0344 175.7185 47 S 5.0334 9.3126 120.3142 55.8500 67.3572 172.0318 48 P 4.8446 0.0000 0.0000 62.7578 32.9945 174.6976 49 L 5.1287 8.5678 122.4595 53.7171 45.8941 175.0043 50 H 4.9911 9.1377 121.8302 54.4855 32.7421 172.6183 51 G 4.3164 8.1255 110.9231 45.5317 0.0000 170.5904 52 T 4.9809 8.4639 114.4654 62.0774 73.3805 173.0399 53 E 5.2631 8.6737 122.2035 54.3273 32.4111 175.1690 54 N 4.5802 9.1637 122.4667 53.7310 39.5185 174.6681 55 T 4.6130 8.4804 114.4957 61.4337 69.6307 175.5387 56 I 3.7179 8.3161 125.0718 64.7185 37.0699 177.0818 57 N 4.9708 7.9376 114.3046 52.5321 39.1234 174.1652 58 K 3.9015 7.8790 115.0847 57.0917 30.4857 175.8568 59 R 4.1162 7.9929 116.0751 56.5997 30.5587 177.5034 60 T 4.1955 8.4563 111.3114 63.5122 69.6595 174.9549 61 Q 4.7572 7.8345 119.9358 51.9385 29.1401 172.6162 62 P 4.4856 0.0000 0.0000 62.9190 33.2406 176.7452 63 T 4.7130 8.4456 116.6750 61.9354 69.4206 172.8880 64 F 5.3557 8.3233 119.8912 56.6885 41.8629 172.6824 65 G 4.7121 9.4636 105.2983 45.5495 0.0000 172.0369 66 F 5.5073 8.9940 115.3714 56.0528 41.9708 172.8201 67 T 5.0349 9.0481 117.1401 61.9261 70.9031 173.3823 68 V 4.1387 8.7111 126.9529 61.3502 33.1789 174.3491 69 N 4.6118 8.1878 128.1375 51.4580 37.9707 173.7817 70 W 4.4268 7.2727 120.8790 57.2027 29.3310 176.3373 71 K 4.4146 9.0193 122.6575 56.8303 32.4688 177.3973 72 F 4.9828 7.4003 112.6618 55.8463 38.0682 174.5419 73 S 4.4654 7.3250 113.5864 58.6738 64.8880 173.8243 74 E 4.4887 8.5821 117.8568 56.5675 29.0450 176.4593 75 S 4.9336 7.5605 116.2956 57.8594 65.5566 173.1622 76 T 4.9931 8.6325 116.0938 62.4498 73.0864 173.5493 77 T 5.1613 8.3813 119.7077 62.0207 72.7601 173.3011 78 V 4.9386 8.6028 118.9905 59.5617 35.0279 174.7237 79 F 5.2464 8.9693 122.4863 55.9701 42.5187 174.1085 80 T 4.7638 9.3720 116.5211 60.0643 71.5527 173.9216 81 G 3.8610 6.6310 110.2031 46.0483 0.0000 170.9216 82 Q 4.7130 7.3595 119.2102 54.4675 32.7707 174.6951 83 C 4.8356 8.9023 126.5500 56.1651 42.7769 171.9560 84 F 5.3014 9.2954 126.2976 56.1804 41.2889 175.8154 85 I 4.7624 9.2077 125.2489 59.5958 35.5524 175.4207 86 D 4.4424 9.2480 127.4463 55.6335 41.1086 179.1320 *89 G 3.9399 8.4249 105.8766 45.2364 0.0000 175.0947 90 K 4.3210 6.0212 119.9115 55.6902 33.6708 175.6432 91 E 5.0256 8.6842 121.8571 55.8798 30.8677 175.8651 92 V 4.9259 9.6603 124.5323 59.8884 35.3172 174.5919 93 L 5.1959 9.1613 122.9686 53.2487 44.2990 175.4200 94 K 5.1084 8.8310 124.4548 55.0874 34.1998 176.0129 95 T 5.3840 9.1063 114.4961 60.2935 73.1031 172.5586 96 M 5.2293 8.9236 120.3520 53.4369 36.6873 174.5812 97 W 5.4843 8.3783 118.1682 54.8194 32.7829 173.6374 98 L 5.2715 8.7273 119.6023 52.9389 44.9787 175.4780 99 L 5.0078 9.6362 126.6655 53.4524 44.1574 174.8300 100 R 4.8293 9.0305 128.7422 55.5688 31.2826 175.7013 101 S 5.0381 8.9214 123.3193 57.2910 65.0784 173.6319 102 S 4.6779 8.4319 116.8107 57.1381 63.9827 173.9529 103 V 4.4438 8.1577 117.6590 59.1942 33.9792 175.7912 104 N 4.4756 8.7549 120.0281 55.4828 38.9519 175.2347 105 D 4.9776 7.6600 116.1136 51.8633 43.8980 176.0961 106 I 3.8920 8.3777 124.5749 62.8783 38.2652 178.0019 107 G 3.5666 8.6869 109.2216 48.9201 0.0000 174.5333 108 D 4.7359 8.3813 118.4173 54.9239 41.7108 178.1100 109 D 4.3166 7.7658 120.0793 56.9679 41.4203 178.6186 110 W 4.3712 8.4469 114.8696 58.9914 27.7266 176.5577 111 K 3.7897 6.7218 115.2526 56.1472 31.9943 176.4571 112 A 4.2624 7.9298 122.1049 52.8356 18.8231 177.0591 113 T 5.0657 7.5326 113.0256 62.0518 71.3999 173.6577 114 R 4.8486 8.9890 125.9168 54.5431 32.8004 175.8236 115 V 4.4664 7.7170 120.4717 60.1032 34.8977 174.4393 116 G 2.9932 6.0805 106.9068 45.9181 0.0000 171.5620 117 I 4.9465 7.6318 119.8381 59.3379 41.3083 174.4140 118 N 4.6119 8.4523 115.8959 52.7123 43.7929 173.9364 119 I 4.9515 8.5715 125.6129 59.7456 39.4586 174.8140 120 F 5.3035 9.4538 126.5473 56.4603 41.4613 175.2108 121 T 5.3745 9.4499 117.8757 61.5751 73.2632 173.5513 122 R 3.6182 8.6801 122.9460 56.1476 30.5726 176.5590 123 L 4.1640 8.7175 126.4498 55.2614 41.6936 176.5572 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 4 C 8.68 5.76 0.00 3.09 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 5 S 8.37 4.80 0.00 4.05 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 6 L 9.10 3.99 0.00 1.08 1.00 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.79 3.93 4.19 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 1.15 0.00 0.00 8 G 7.49 3.67 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 0.00 0.00 0.00 9 K 8.13 4.97 0.00 1.48 1.57 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.29 7.81 10 W 9.28 5.47 0.00 2.99 3.25 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 11 T 9.59 6.00 4.32 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 1.36 0.00 0.00 12 N 8.66 5.30 0.00 2.36 1.82 0.00 0.00 6.42 8.06 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 13 D 8.77 4.51 0.00 2.83 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 14 L 7.96 4.10 0.00 1.87 1.84 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.78 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 0.00 0.00 0.00 0.00 16 S 8.56 4.99 0.00 3.95 3.88 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 17 N 8.64 5.56 0.00 2.59 2.66 0.00 0.00 6.36 7.67 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 18 M 9.07 4.91 0.00 1.58 1.22 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 19 T 8.91 5.05 4.17 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 1.14 0.00 0.00 20 I 8.55 4.66 1.84 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.40 0.34 0.00 0.00 21 G 8.63 4.46 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 0.00 0.00 0.00 22 A 8.87 4.34 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 23 V 8.22 5.21 2.37 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 0.84 0.00 0.00 1.05 0.00 0.00 24 N 8.58 4.63 0.00 2.98 3.05 0.00 0.00 6.00 7.64 0.00 0.00 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 S 8.53 4.31 0.00 4.01 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 26 R 8.69 4.26 0.00 1.94 2.00 0.00 3.14 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 1.60 1.56 0.00 27 G 8.29 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 28 E 8.04 4.56 0.00 1.92 1.80 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 2.32 2.27 0.00 29 F 7.80 5.10 0.00 2.93 3.07 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 30 T 8.14 5.08 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 1.20 0.00 0.00 31 G 7.90 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 32 T 8.54 5.21 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 1.30 0.00 0.00 33 Y 9.32 4.65 0.00 2.86 2.78 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 34 T 8.89 5.34 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 1.22 0.00 0.00 35 T 8.44 5.05 4.38 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 1.73 0.00 0.00 36 A 8.61 4.36 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 *44 I 7.95 4.09 1.86 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 1.40 0.64 0.89 0.00 0.00 45 K 8.43 4.63 0.00 1.12 1.71 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.03 1.03 7.81 46 E 9.00 5.14 0.00 1.91 1.94 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 2.29 2.37 0.00 47 S 9.31 5.03 0.00 3.75 3.75 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 0.00 0.00 0.00 48 P 0.00 4.84 0.00 2.02 2.14 0.00 3.78 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 2.02 1.96 0.00 49 L 8.57 5.13 0.00 1.59 1.53 0.31 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 50 H 9.14 4.99 0.00 3.05 3.05 0.00 5.61 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 51 G 8.13 4.32 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 0.00 52 T 8.46 4.98 4.19 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 1.21 0.00 0.00 53 E 8.67 5.26 0.00 2.17 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 0.00 2.34 2.32 0.00 54 N 9.16 4.58 0.00 2.79 2.81 0.00 0.00 6.99 8.06 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 55 T 8.48 4.61 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 1.25 0.00 0.00 56 I 8.32 3.72 2.04 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 1.45 0.81 0.92 0.00 0.00 57 N 7.94 4.97 0.00 2.68 2.79 0.00 0.00 7.06 7.61 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 58 K 7.88 3.90 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.54 7.81 59 R 7.99 4.12 0.00 1.82 1.89 0.00 3.39 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 60 T 8.46 4.20 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 1.24 0.00 0.00 61 Q 7.83 4.76 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.00 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 62 P 0.00 4.49 0.00 2.20 2.22 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 63 T 8.45 4.71 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 1.21 0.00 0.00 64 F 8.32 5.36 0.00 3.60 3.25 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 65 G 9.46 4.71 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 0.00 0.00 0.00 66 F 8.99 5.51 0.00 3.18 3.33 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 67 T 9.05 5.03 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 1.18 0.00 0.00 68 V 8.71 4.14 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 -0.33 0.00 0.00 0.89 0.00 0.00 69 N 8.19 4.61 0.00 2.74 2.65 0.00 0.00 7.27 7.30 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 70 W 7.27 4.43 0.00 3.15 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 71 K 9.02 4.41 0.00 2.06 2.01 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.51 1.77 7.81 72 F 7.40 4.98 0.00 3.18 3.14 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 73 S 7.33 4.47 0.00 3.78 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 4.49 0.00 1.96 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 2.24 2.30 0.00 75 S 7.56 4.93 0.00 3.61 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 76 T 8.63 4.99 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 1.19 0.00 0.00 77 T 8.38 5.16 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 0.82 0.00 0.00 78 V 8.60 4.94 2.05 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 0.71 0.00 0.00 0.96 0.00 0.00 79 F 8.97 5.25 0.00 1.51 2.58 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 0.00 0.00 0.00 80 T 9.37 4.76 4.15 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 0.00 0.00 1.12 0.00 0.00 81 G 6.63 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 82 Q 7.36 4.71 0.00 1.82 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 1.36 2.16 0.00 83 C 8.90 4.84 0.00 3.12 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 84 F 9.30 5.30 0.00 3.08 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 85 I 9.21 4.76 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 1.00 0.00 0.00 86 D 9.25 4.44 0.00 2.84 3.01 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 *89 G 8.42 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 0.00 0.00 0.00 90 K 6.02 4.32 0.00 1.99 1.79 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.44 7.81 91 E 8.68 5.03 0.00 2.07 2.26 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 2.51 2.38 0.00 92 V 9.66 4.93 2.26 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 1.19 0.00 0.00 1.15 0.00 0.00 93 L 9.16 5.20 0.00 1.68 1.74 -0.70 0.74 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 94 K 8.83 5.11 0.00 1.98 1.89 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.69 7.81 95 T 9.11 5.38 4.69 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 1.63 0.00 0.00 96 M 8.92 5.23 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 97 W 8.38 5.48 0.00 2.62 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 98 L 8.73 5.27 0.00 1.61 1.59 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.64 5.01 0.00 1.57 1.78 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.03 4.83 0.00 1.97 1.80 0.00 3.34 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 101 S 8.92 5.04 0.00 3.69 3.70 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 0.00 102 S 8.43 4.68 0.00 3.85 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 0.00 103 V 8.16 4.44 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 0.65 0.00 0.00 0.96 0.00 0.00 104 N 8.75 4.48 0.00 2.71 2.88 0.00 0.00 6.67 8.06 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 0.00 105 D 7.66 4.98 0.00 2.72 2.48 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 0.00 106 I 8.38 3.89 1.89 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 1.38 1.21 0.94 0.00 0.00 107 G 8.69 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 0.00 108 D 8.38 4.74 0.00 2.69 2.57 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 0.00 109 D 7.77 4.32 0.00 2.85 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 0.00 110 W 8.45 4.37 0.00 3.61 3.25 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 0.00 111 K 6.72 3.79 0.00 0.95 0.74 0.00 0.61 0.00 0.00 1.29 0.00 0.00 2.66 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.78 0.83 7.81 112 A 7.93 4.26 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 0.00 113 T 7.53 5.07 4.23 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 0.00 0.00 1.22 0.00 0.00 114 R 8.99 4.85 0.00 2.01 2.04 0.00 3.11 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 115 V 7.72 4.47 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 0.55 0.00 0.00 0.68 0.00 0.00 116 G 6.08 2.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.63 4.95 1.78 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 1.43 1.07 0.93 0.00 0.00 118 N 8.45 4.61 0.00 3.22 2.76 0.00 0.00 7.31 7.48 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 0.00 119 I 8.57 4.95 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 1.29 0.79 1.01 0.00 0.00 120 F 9.45 5.30 0.00 2.90 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 0.00 121 T 9.45 5.37 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 1.30 0.00 0.00 122 R 8.68 3.62 0.00 1.48 1.60 0.00 2.81 0.00 0.00 2.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 123 L 8.72 4.16 0.00 1.58 1.48 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.