NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3400 8.2649 123.5751 52.4963 19.4852 177.8379 3 Q 4.2281 8.3099 125.5619 54.5326 30.2832 173.4183 4 Q 3.2187 7.0915 116.1848 61.3145 28.3472 175.3770 5 S 3.4367 6.3730 118.7416 59.2309 61.5601 173.7704 6 P 3.8878 0.0000 0.0000 64.7739 31.7451 176.4125 7 Y 3.9272 6.7585 113.3504 58.6072 36.4534 171.9150 8 S 4.4733 7.6617 116.9203 56.7621 62.9206 174.6047 9 A 3.9403 8.7624 129.4429 54.5516 17.6321 177.4481 10 A 3.8849 7.5047 117.0972 55.2116 18.7480 177.6010 11 M 4.7199 8.3222 110.9852 54.7444 33.1473 177.6445 12 A 4.2680 7.8325 119.6809 53.3120 18.9240 180.0915 13 E 4.2379 8.0904 116.4357 58.8663 29.3203 178.7079 14 Q 4.1049 7.9685 119.3581 59.0773 27.8801 177.9152 15 R 4.0527 8.0276 115.6448 58.5382 29.2979 177.0412 16 H 4.9057 9.0809 120.0615 58.7010 30.4178 176.5411 17 E 4.1103 8.1501 119.5485 58.9334 29.2407 178.8916 18 E 4.0700 7.8934 118.9430 58.8845 29.5505 178.8776 19 W 4.3921 7.7840 127.6748 60.5618 30.7670 178.1232 20 L 3.6170 8.0371 118.9206 57.3460 40.8839 179.4463 21 R 3.8118 7.6211 119.2502 59.0648 29.9080 178.3726 22 F 3.9933 7.8111 120.3521 61.2252 39.5257 177.0552 23 V 3.0144 7.1841 117.8371 66.1083 31.2034 177.7737 24 D 4.1896 7.9503 118.3972 57.0900 40.5934 178.4384 25 L 3.8152 7.8302 120.9902 58.0499 42.0452 178.7591 26 L 3.6278 7.6229 120.5985 57.6629 41.7310 178.5888 27 K 3.8589 7.6266 119.4519 59.8338 32.1116 178.3823 28 N 4.2821 7.9985 115.9812 56.1842 38.3781 176.9696 29 A 3.9456 7.9640 122.2511 55.7295 18.2782 179.2942 30 Y 3.9199 8.3091 115.2730 61.3969 37.6768 179.0350 31 Q 4.1378 7.8318 118.1010 58.0839 28.8636 177.3503 32 N 4.7687 7.8710 114.7849 52.0873 39.0023 174.5560 33 D 4.5889 7.7406 118.6735 55.7000 39.0712 174.1840 34 L 4.6501 8.0489 117.0393 54.7445 42.4696 178.4939 35 H 3.9086 7.9448 118.3101 58.4782 28.2700 176.9179 36 L 3.8273 7.3099 122.8390 57.4069 42.0072 177.1611 37 P 4.2745 0.0000 0.0000 65.5425 31.1705 178.0167 38 L 3.9213 7.7989 120.2908 58.0898 42.0337 178.9083 39 L 4.1660 8.4404 118.8409 57.2824 41.3040 178.9779 40 N 4.4694 7.8237 116.1519 55.6217 38.6199 176.8959 41 L 4.1319 7.8263 121.3838 58.4031 42.3504 178.5327 42 M 4.2628 8.3888 117.7929 56.2670 32.2695 176.4865 43 L 4.8887 7.1723 117.5394 52.9678 44.5012 176.6217 44 T 4.4129 8.5577 112.0606 60.2080 71.5525 174.2851 45 P 4.2420 0.0000 0.0000 65.8211 31.3229 178.4676 46 D 4.3657 8.0646 116.3320 57.3592 41.1472 178.0667 47 E 4.0082 7.9473 118.1461 59.2358 29.4570 179.4285 48 R 3.9424 7.8035 117.9812 59.3363 30.3079 178.9075 49 E 3.9373 8.2177 118.0061 59.4910 29.5072 179.1620 50 A 4.0368 8.1033 120.6598 55.4284 18.4790 179.7340 51 L 4.1348 8.1785 117.4883 57.5708 41.5120 179.9514 52 G 3.6301 8.0584 105.8588 48.2674 0.0000 175.7973 53 T 3.9209 7.7939 118.5662 66.3640 68.3534 176.9397 54 R 3.9648 8.1116 119.9010 59.2335 30.0015 179.5357 55 V 3.6463 7.7462 111.8105 64.3856 31.4599 178.7151 56 R 4.0914 7.7886 117.5661 59.3649 29.9274 179.0104 57 I 3.6775 7.8384 119.4062 64.5137 37.2933 178.6335 58 V 3.5804 8.0264 119.0965 65.8739 31.2625 177.4519 59 E 3.8847 8.5123 119.3560 59.6186 29.5050 178.7397 60 E 3.9516 8.4762 118.6990 59.2624 29.2346 179.5124 61 L 3.9836 7.8674 118.3958 57.7362 41.7895 179.1662 62 L 4.1212 7.5345 117.2371 57.8620 41.7094 179.1321 63 R 4.0476 8.4321 119.0096 57.5248 29.6825 177.1868 64 G 4.4156 7.8200 104.9093 46.4228 0.0000 173.2248 65 E 4.4040 7.6579 117.9976 55.9055 30.0810 175.5646 66 M 4.8339 7.4841 114.0980 52.9474 34.4719 175.4290 67 S 4.3428 8.6011 116.0939 58.7022 65.1692 175.4421 68 Q 4.0791 8.4941 120.6781 58.8664 28.3623 179.0244 69 R 3.9595 7.9233 118.9805 58.9863 30.0302 178.7661 70 E 3.9534 7.9617 118.1100 59.2367 29.5497 178.7337 71 L 3.9036 7.7848 120.4253 58.3710 42.0745 178.9745 72 K 3.9380 8.2039 119.2226 59.5864 31.5165 178.5241 73 N 4.3526 7.8651 116.9575 56.0011 38.3205 176.8973 74 E 3.9356 8.1453 119.8376 59.4440 29.8769 178.5838 75 L 4.2860 7.9743 116.4001 54.6658 42.0099 177.1476 76 G 3.7602 7.5286 105.6167 46.5633 0.0000 173.5555 77 A 4.5760 7.7822 121.7198 49.9676 21.3189 177.9488 78 G 3.9650 8.0945 108.1840 44.7419 0.0000 175.0668 79 I 3.8498 8.1884 118.9092 63.4552 37.9776 177.8216 80 A 4.0209 8.0346 121.5822 55.6072 18.0319 179.5614 81 T 3.9172 7.6193 112.7746 66.5874 68.3831 177.2028 82 I 3.7869 7.6736 121.5298 64.5436 37.2828 178.2290 83 T 3.8287 7.9133 116.6374 66.7643 68.2595 176.7668 84 R 4.0632 8.1802 120.0217 59.1798 29.9851 179.4169 85 G 3.5646 7.7911 105.6244 47.7107 0.0000 175.6112 86 S 4.1001 8.5589 116.2895 61.3839 62.2199 176.1627 87 N 4.4060 8.3865 118.0171 56.3620 38.4246 177.3947 88 S 4.2742 8.1534 116.7828 61.4198 62.8944 176.4339 89 L 4.0163 8.2955 123.4392 58.0245 41.5722 179.1026 90 K 3.9612 7.7373 117.2051 59.1954 32.0883 178.4434 91 A 4.2497 7.5962 118.3837 52.2819 19.1646 177.6909 92 A 4.1397 7.1086 120.4139 51.2560 19.3465 176.4460 93 P 4.4581 0.0000 0.0000 62.0628 33.4329 177.9334 94 V 3.6191 8.4583 120.3367 66.5131 31.3298 178.1689 95 E 3.9896 8.2462 117.4809 59.4399 29.3103 179.0906 96 L 4.0491 7.8749 119.4819 58.3355 42.3448 178.8060 97 R 4.0115 8.1274 118.2693 59.5388 29.8477 179.0978 98 Q 4.1089 8.1981 115.9924 58.7071 28.9089 177.9193 99 W 4.2391 8.3694 130.6623 60.1021 30.6527 177.8306 100 L 3.5923 8.5484 119.4504 57.9054 41.0087 179.2835 101 E 3.9832 7.9102 115.8393 58.4565 29.6982 178.1883 102 E 4.2497 7.9114 119.0062 58.1190 30.0904 178.5031 103 V 3.3612 6.8181 111.2833 64.5259 31.6858 177.8505 104 L 4.2551 7.6667 116.7997 55.8949 42.6128 177.4793 105 L 4.5428 6.9981 121.9318 54.9616 42.1292 177.3200 *106 K 4.1215 8.7626 128.6205 55.8516 32.3453 173.9174 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 A 8.26 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 3 Q 8.31 4.23 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 4 Q 7.09 3.22 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.14 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 5 S 6.37 3.44 0.00 3.44 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 6 P 0.00 3.89 0.00 2.09 2.08 0.00 3.79 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 7 Y 6.76 3.93 0.00 3.09 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 8 S 7.66 4.47 0.00 4.01 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 9 A 8.76 3.94 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 10 A 7.50 3.88 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 11 M 8.32 4.72 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 12 A 7.83 4.27 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 13 E 8.09 4.24 0.00 2.05 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 2.33 2.37 0.00 14 Q 7.97 4.10 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 15 R 8.03 4.05 0.00 2.09 2.20 0.00 3.00 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 16 H 9.08 4.91 0.00 3.21 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.15 4.11 0.00 2.14 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 0.00 2.43 2.48 0.00 18 E 7.89 4.07 0.00 2.28 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 2.37 2.66 0.00 19 W 7.78 4.39 0.00 3.47 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 20 L 8.04 3.62 0.00 1.82 1.58 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.62 3.81 0.00 2.04 1.98 0.00 3.11 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 22 F 7.81 3.99 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 23 V 7.18 3.01 1.78 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 0.75 0.00 0.00 -0.09 0.00 0.00 24 D 7.95 4.19 0.00 2.90 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 25 L 7.83 3.82 0.00 1.74 1.59 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.62 3.63 0.00 0.95 1.35 0.67 0.39 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 27 K 7.63 3.86 0.00 1.91 1.91 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.46 7.81 28 N 8.00 4.28 0.00 2.98 2.81 0.00 0.00 6.97 7.12 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 29 A 7.96 3.95 1.23 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 0.00 0.00 30 Y 8.31 3.92 0.00 3.08 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 31 Q 7.83 4.14 0.00 2.15 2.18 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 2.42 2.68 0.00 32 N 7.87 4.77 0.00 2.68 2.82 0.00 0.00 7.05 7.34 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 33 D 7.74 4.59 0.00 2.81 2.77 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 0.00 0.00 0.00 0.00 34 L 8.05 4.65 0.00 1.60 1.56 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.94 3.91 0.00 2.55 2.58 0.00 5.66 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 36 L 7.31 3.83 0.00 1.58 1.61 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.27 0.00 2.27 2.26 0.00 3.63 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 2.17 1.97 0.00 38 L 7.80 3.92 0.00 1.84 1.81 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.44 4.17 0.00 1.75 1.76 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.82 4.47 0.00 2.95 2.87 0.00 0.00 6.94 7.91 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 41 L 7.83 4.13 0.00 1.63 1.95 0.93 0.89 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 42 M 8.39 4.26 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.98 0.00 43 L 7.17 4.89 0.00 1.76 1.58 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.56 4.41 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 45 P 0.00 4.24 0.00 2.18 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 46 D 8.06 4.37 0.00 2.79 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 47 E 7.95 4.01 0.00 2.24 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 0.00 2.33 2.35 0.00 48 R 7.80 3.94 0.00 2.00 2.01 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 49 E 8.22 3.94 0.00 2.04 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 0.00 2.34 2.48 0.00 50 A 8.10 4.04 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 51 L 8.18 4.13 0.00 1.97 1.79 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.06 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.79 3.92 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 1.22 0.00 0.00 54 R 8.11 3.96 0.00 1.90 2.00 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.03 0.00 55 V 7.75 3.65 2.11 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 0.92 0.00 0.00 1.04 0.00 0.00 56 R 7.79 4.09 0.00 1.98 1.99 0.00 3.44 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 57 I 7.84 3.68 2.03 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 1.41 0.74 0.92 0.00 0.00 58 V 8.03 3.58 2.18 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 1.02 0.00 0.00 0.99 0.00 0.00 59 E 8.51 3.88 0.00 2.02 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 0.00 2.29 2.47 0.00 60 E 8.48 3.95 0.00 2.00 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 2.51 2.50 0.00 61 L 7.87 3.98 0.00 1.82 1.73 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.53 4.12 0.00 1.84 1.72 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.43 4.05 0.00 2.05 2.13 0.00 3.22 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 64 G 7.82 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 0.00 0.00 0.00 0.00 65 E 7.66 4.40 0.00 2.03 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 2.26 2.23 0.00 66 M 7.48 4.83 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 67 S 8.60 4.34 0.00 4.07 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 68 Q 8.49 4.08 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 69 R 7.92 3.96 0.00 1.89 1.98 0.00 3.17 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 70 E 7.96 3.95 0.00 2.21 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 0.00 2.33 2.31 0.00 71 L 7.78 3.90 0.00 1.89 1.75 0.92 0.52 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 72 K 8.20 3.94 0.00 1.87 2.10 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.72 7.81 73 N 7.87 4.35 0.00 2.88 2.84 0.00 0.00 6.59 7.51 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 74 E 8.15 3.94 0.00 2.13 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 0.00 2.33 2.36 0.00 75 L 7.97 4.29 0.00 1.76 1.71 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.53 3.76 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 0.00 0.00 0.00 77 A 7.78 4.58 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 78 G 8.09 3.96 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 0.00 79 I 8.19 3.85 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 1.20 0.91 0.00 0.00 80 A 8.03 4.02 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 81 T 7.62 3.92 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 1.22 0.00 0.00 82 I 7.67 3.79 2.01 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 1.64 0.72 0.95 0.00 0.00 83 T 7.91 3.83 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 1.21 0.00 0.00 84 R 8.18 4.06 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 85 G 7.79 3.56 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 0.00 0.00 0.00 86 S 8.56 4.10 0.00 3.96 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 87 N 8.39 4.41 0.00 2.76 2.86 0.00 0.00 7.15 7.45 0.00 0.00 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 S 8.15 4.27 0.00 4.04 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 89 L 8.30 4.02 0.00 2.02 1.79 0.95 0.71 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 90 K 7.74 3.96 0.00 2.06 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.71 7.81 91 A 7.60 4.25 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 92 A 7.11 4.14 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 93 P 0.00 4.46 0.00 2.19 2.05 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 94 V 8.46 3.62 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 1.17 0.00 0.00 0.95 0.00 0.00 95 E 8.25 3.99 0.00 2.10 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 0.00 2.40 2.45 0.00 96 L 7.87 4.05 0.00 1.80 1.88 1.05 1.04 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 97 R 8.13 4.01 0.00 2.07 2.01 0.00 3.20 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 98 Q 8.20 4.11 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.71 2.45 0.00 99 W 8.37 4.24 0.00 3.49 3.47 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 0.00 100 L 8.55 3.59 0.00 1.93 1.68 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.91 3.98 0.00 2.07 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 2.33 2.52 0.00 102 E 7.91 4.25 0.00 1.85 1.81 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 2.21 2.55 0.00 103 V 6.82 3.36 1.70 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 -0.18 0.00 0.00 0.07 0.00 0.00 104 L 7.67 4.26 0.00 1.71 1.63 0.89 0.96 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 0.00 105 L 7.00 4.54 0.00 1.66 1.06 0.92 0.63 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 *106 K 8.76 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.