NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3936 8.1593 110.9463 61.4584 70.4667 174.3732 4 T 3.8696 8.4090 112.7404 64.4565 68.7097 174.7027 5 A 4.0534 8.9847 124.7762 55.2264 18.5250 180.5754 6 E 4.0561 8.3200 115.2616 59.0995 29.7958 178.8663 7 Q 4.4862 8.5585 117.7001 57.1750 28.9798 177.8194 8 I 3.7012 7.5812 122.0118 64.1198 37.2232 176.1582 9 P 4.1641 0.0000 0.0000 65.5855 31.1171 178.6115 10 F 4.2347 7.8189 115.8721 60.8167 38.9142 177.6413 11 Q 3.7145 8.0714 117.5875 58.5644 28.2282 178.7453 12 L 3.9204 8.1137 120.4359 57.8212 41.6018 179.6545 13 I 3.5841 7.6571 119.5271 64.1809 37.0566 177.9980 14 L 3.9061 7.8877 121.0551 58.6087 41.9337 178.9436 15 N 4.4660 8.1250 116.1440 56.1981 38.5095 177.7747 16 S 4.2488 8.3378 116.8652 61.4815 62.9622 176.6792 17 G 3.7435 8.2860 108.6842 48.1385 0.0000 175.3597 18 N 4.2010 8.2211 118.8062 55.8474 38.5692 177.2979 19 A 4.2096 8.2429 122.2010 55.2695 18.2253 179.7615 20 R 3.8602 8.0395 116.2109 59.6755 30.2996 178.4687 21 S 4.1915 7.8478 113.7134 61.6864 63.0580 176.5086 22 F 4.5510 8.3289 120.2858 60.4237 38.6436 177.8850 23 A 4.3119 7.9677 116.1800 53.4239 17.8927 178.7371 *25 E 4.0438 8.1529 121.5356 57.5942 31.9135 178.3046 26 A 4.2574 8.3415 120.5268 55.2936 18.4870 179.3047 27 L 3.9381 7.9809 118.8380 58.6447 42.1910 179.3025 28 Q 3.8964 7.9003 117.2928 58.5721 28.6343 178.5393 29 F 4.2477 7.9257 118.7442 60.5286 39.0125 177.4689 30 A 4.0583 8.2196 120.4752 55.0290 17.8999 179.6012 31 K 3.0224 7.5206 117.2017 59.3601 32.3549 178.6177 32 Q 4.2025 7.6627 115.8654 56.4541 28.7552 177.1154 33 G 3.9168 7.6552 108.0258 45.5198 0.0000 173.3393 34 K 4.2764 8.3875 119.4677 54.9040 33.6240 177.4863 *36 A 4.2262 8.4476 124.9020 52.3404 20.6617 178.9030 37 E 3.5205 7.7737 114.6026 59.0071 29.0400 179.1140 38 A 4.0953 7.5520 120.0959 55.3037 18.6133 178.7477 39 D 4.5037 8.0502 115.5235 57.7509 41.1484 178.4915 40 E 4.0501 8.3044 119.2732 59.0528 29.6085 179.6266 41 A 4.4337 7.8673 120.0558 52.1647 18.4797 179.5663 *43 V 3.9250 7.7925 122.1600 64.5066 33.5133 177.7702 44 K 3.7065 7.5843 118.5150 58.8531 31.4764 179.3115 45 A 4.0859 7.8816 121.3266 55.0946 18.3853 179.5614 46 K 3.8939 7.9611 117.6585 59.8019 32.2548 178.7279 47 E 4.0263 8.2360 118.6391 58.9572 29.2290 179.2518 48 A 4.0252 8.0853 121.1031 55.2081 18.4451 179.4043 49 I 3.6329 7.9563 118.5802 64.8266 36.7166 178.0507 50 N 4.3802 8.2221 117.4832 56.8827 38.5746 176.7952 51 E 4.0759 8.3140 118.9105 59.2035 29.8093 178.9209 52 A 4.3661 8.3697 121.2706 55.6306 18.4798 179.4365 53 H 4.3030 8.6041 114.7869 59.0452 27.1977 177.4531 54 H 4.0667 8.0906 119.6213 58.7997 29.5396 176.9282 55 F 4.4932 8.1942 119.2895 59.5400 39.1102 177.9350 56 Q 4.0205 8.1019 118.8611 59.5120 29.0053 178.1207 57 T 3.8543 8.1166 116.8775 66.5180 68.4353 176.1892 58 E 3.8545 7.5879 119.1641 59.1046 29.6414 178.3521 59 L 3.9407 8.0062 120.3074 58.5313 42.1541 179.1214 60 I 3.7313 8.0059 119.7015 64.4136 36.9815 178.3270 61 Q 3.9872 8.6193 121.1739 58.9615 28.8453 178.1505 62 S 4.0823 8.4940 115.9047 61.5441 62.8462 176.2865 63 E 4.2919 8.3202 123.6953 58.3627 29.2128 178.3202 64 A 3.9940 7.8370 119.5686 55.5847 18.4952 179.6915 65 R 4.0693 8.4919 115.3035 57.7476 30.0493 177.9905 66 G 4.0566 7.9460 106.7231 45.2426 0.0000 173.0384 67 E 4.2877 8.3977 119.6330 54.9877 30.4326 175.4656 68 K 4.4876 8.4749 124.1648 55.3638 33.2197 175.6490 69 T 4.4607 8.2225 123.0204 61.7669 70.0436 173.9250 70 E 4.1134 8.5848 126.9805 55.4655 30.0516 176.1706 71 I 3.9033 8.3585 128.2780 61.2044 37.7957 175.9959 72 S 4.8086 8.2398 119.4928 55.6198 67.2991 175.0361 73 V 3.5236 8.2015 121.4567 66.2389 31.2349 177.8184 74 L 3.8233 7.8215 119.4130 58.0167 41.7951 178.5780 75 L 3.8705 7.7601 119.9258 58.1350 42.0660 178.9322 76 I 3.6702 7.6610 119.7562 64.6932 37.0849 177.8538 77 H 4.1506 8.9526 119.1824 59.3127 29.6967 177.1417 78 A 3.9829 8.3586 122.8952 55.1822 17.9235 179.6770 79 Q 3.9397 8.1959 116.1818 59.1166 28.8576 178.2676 80 D 4.4925 7.8573 118.8261 57.7793 41.1361 178.2900 81 H 4.2724 8.1931 116.5609 58.6320 28.6572 177.6992 82 L 4.9301 7.6073 119.0259 55.9374 41.4679 177.6668 *84 N 4.5741 8.0831 117.4256 53.4027 40.8504 176.1532 85 A 4.0250 8.2779 119.8743 55.3598 18.4376 179.5033 86 I 3.6741 7.7807 118.2279 65.0176 37.1836 178.8917 87 T 3.9414 7.7369 115.8998 66.5248 68.4410 176.9420 88 V 3.6399 8.2343 120.6527 65.7874 31.5508 177.9180 89 K 3.9466 8.3380 119.5667 59.6332 31.6102 178.2686 90 E 3.9763 8.2687 119.5058 59.3713 29.4904 178.7030 91 L 3.9409 8.1942 118.6170 57.2179 41.8718 178.9588 92 A 4.2685 8.7114 121.1632 55.3206 18.2903 179.2433 93 A 4.0644 8.1248 119.1614 55.7760 18.5228 179.8173 94 E 3.9969 7.7915 116.4765 59.3077 29.4254 179.5806 95 F 4.1153 8.4047 118.0253 60.5894 39.0577 177.7581 96 I 3.9281 8.5799 119.7198 64.6419 37.0793 177.8599 97 D 4.4122 8.5941 119.2803 57.3519 40.9278 178.3043 98 L 3.8951 7.8167 120.3034 58.4276 42.2943 178.4298 99 Y 4.1288 8.2452 116.7752 60.9801 37.7382 179.0368 100 K 4.0208 8.3366 119.3523 59.3288 32.0146 178.9640 101 K 3.8446 7.6740 118.2051 59.8300 32.1163 178.2653 102 L 4.1435 7.7438 117.4672 57.8945 41.9257 179.1257 103 E 4.1476 8.2692 117.9685 59.2075 29.2721 178.8474 104 A 4.1523 7.9981 118.9069 52.8674 18.8528 177.2082 105 K 4.6350 7.2708 116.5117 54.5024 34.6390 176.6579 106 G 3.7442 8.3668 110.1488 46.1103 0.0000 172.6119 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 3 T 8.16 4.39 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 1.23 0.00 0.00 4 T 8.41 3.87 4.35 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 1.27 0.00 0.00 5 A 8.98 4.05 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 6 E 8.32 4.06 0.00 2.17 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 2.37 2.38 0.00 7 Q 8.56 4.49 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.71 0.00 8 I 7.58 3.70 2.04 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 1.80 0.69 0.98 0.00 0.00 9 P 0.00 4.16 0.00 1.74 1.91 0.00 3.67 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 1.96 2.09 0.00 10 F 7.82 4.23 0.00 3.19 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 11 Q 8.07 3.71 0.00 1.07 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.04 0.00 12 L 8.11 3.92 0.00 1.77 1.69 0.96 0.95 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 13 I 7.66 3.58 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.82 0.00 0.00 14 L 7.89 3.91 0.00 1.74 1.77 0.91 0.57 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 15 N 8.13 4.47 0.00 2.93 3.10 0.00 0.00 7.13 7.65 0.00 0.00 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 8.34 4.25 0.00 3.93 4.10 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 17 G 8.29 3.74 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 0.00 0.00 0.00 18 N 8.22 4.20 0.00 3.05 3.10 0.00 0.00 6.95 7.44 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 19 A 8.24 4.21 1.53 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 0.00 0.00 20 R 8.04 3.86 0.00 1.85 2.12 0.00 3.28 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 21 S 7.85 4.19 0.00 3.70 3.82 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 22 F 8.33 4.55 0.00 3.31 3.23 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 0.00 23 A 7.97 4.31 1.44 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 0.00 0.00 0.00 *25 E 8.15 4.04 0.00 2.37 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 2.19 2.33 0.00 26 A 8.34 4.26 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.98 3.94 0.00 1.88 1.63 0.56 0.59 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 28 Q 7.90 3.90 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 29 F 7.93 4.25 0.00 3.35 3.22 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 0.00 30 A 8.22 4.06 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 31 K 7.52 3.02 0.00 1.57 1.76 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.21 7.81 32 Q 7.66 4.20 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.82 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 33 G 7.66 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 0.00 0.00 0.00 34 K 8.39 4.28 0.00 2.01 2.01 0.00 1.81 0.00 0.00 1.97 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.46 7.81 *36 A 8.45 4.23 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 37 E 7.77 3.52 0.00 1.36 1.12 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 1.87 2.04 0.00 38 A 7.55 4.10 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 39 D 8.05 4.50 0.00 2.77 2.75 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 40 E 8.30 4.05 0.00 2.09 1.96 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 2.24 2.27 0.00 41 A 7.87 4.43 1.61 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 *43 V 7.79 3.93 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 0.93 0.00 0.00 0.96 0.00 0.00 44 K 7.58 3.71 0.00 1.04 0.74 0.00 1.53 0.00 0.00 1.37 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.13 1.33 7.81 45 A 7.88 4.09 1.44 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 0.00 0.00 0.00 46 K 7.96 3.89 0.00 1.84 1.97 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.55 7.81 47 E 8.24 4.03 0.00 1.95 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 2.28 2.43 0.00 48 A 8.09 4.03 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.63 2.07 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 1.64 0.98 0.97 0.00 0.00 50 N 8.22 4.38 0.00 3.02 2.96 0.00 0.00 7.27 6.98 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 51 E 8.31 4.08 0.00 2.28 2.28 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 2.39 2.54 0.00 52 A 8.37 4.37 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 53 H 8.60 4.30 0.00 3.39 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.09 4.07 0.00 3.08 3.27 0.00 5.57 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.19 4.49 0.00 3.28 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 56 Q 8.10 4.02 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 57 T 8.12 3.85 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 1.20 0.00 0.00 58 E 7.59 3.85 0.00 1.94 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 2.29 2.37 0.00 59 L 8.01 3.94 0.00 1.95 1.88 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.01 3.73 1.88 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 1.70 0.92 0.92 0.00 0.00 61 Q 8.62 3.99 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 62 S 8.49 4.08 0.00 4.24 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 0.00 63 E 8.32 4.29 0.00 2.05 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 2.31 2.19 0.00 64 A 7.84 3.99 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 65 R 8.49 4.07 0.00 1.97 2.01 0.00 3.13 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 66 G 7.95 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 67 E 8.40 4.29 0.00 2.16 1.87 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 2.30 2.24 0.00 68 K 8.47 4.49 0.00 1.69 1.71 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.51 7.81 69 T 8.22 4.46 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 E 8.58 4.11 0.00 1.91 1.86 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 2.29 2.38 0.00 71 I 8.36 3.90 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 1.47 0.92 0.90 0.00 0.00 72 S 8.24 4.81 0.00 3.94 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 73 V 8.20 3.52 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 0.99 0.00 0.00 0.91 0.00 0.00 74 L 7.82 3.82 0.00 1.65 1.46 0.81 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.76 3.87 0.00 1.78 1.76 0.90 0.88 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 76 I 7.66 3.67 2.02 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 0.62 0.91 0.00 0.00 77 H 8.95 4.15 0.00 3.23 3.45 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.36 3.98 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 79 Q 8.20 3.94 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 80 D 7.86 4.49 0.00 2.77 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 81 H 8.19 4.27 0.00 3.24 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.61 4.93 0.00 1.78 1.78 0.86 0.42 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 *84 N 8.08 4.57 0.00 2.80 3.04 0.00 0.00 6.99 8.47 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 85 A 8.28 4.03 1.49 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 86 I 7.78 3.67 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 0.95 0.00 0.00 87 T 7.74 3.94 4.40 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 1.25 0.00 0.00 88 V 8.23 3.64 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 0.99 0.00 0.00 0.99 0.00 0.00 89 K 8.34 3.95 0.00 2.00 1.99 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 90 E 8.27 3.98 0.00 2.21 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 2.33 2.38 0.00 91 L 8.19 3.94 0.00 1.90 1.89 1.00 0.62 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 92 A 8.71 4.27 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 93 A 8.12 4.06 1.47 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 0.00 0.00 94 E 7.79 4.00 0.00 1.90 1.86 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 2.50 2.44 0.00 95 F 8.40 4.12 0.00 3.38 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 96 I 8.58 3.93 2.12 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 1.53 1.26 1.01 0.00 0.00 97 D 8.59 4.41 0.00 2.99 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 98 L 7.82 3.90 0.00 1.91 1.76 0.84 0.53 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 99 Y 8.25 4.13 0.00 3.27 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 0.00 100 K 8.34 4.02 0.00 2.05 1.90 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.69 7.81 101 K 7.67 3.84 0.00 1.78 2.03 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 102 L 7.74 4.14 0.00 1.86 1.74 0.78 0.73 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 0.00 103 E 8.27 4.15 0.00 2.26 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 0.00 2.40 2.59 0.00 104 A 8.00 4.15 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 0.00 105 K 7.27 4.64 0.00 1.99 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.48 7.81 106 G 8.37 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.