NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2997 8.2493 123.5825 53.1434 19.5759 174.8692 4 K 4.0265 8.4268 114.2841 56.1962 35.0084 173.6185 5 G 4.1012 9.1454 107.1526 46.3342 0.0000 172.6356 6 L 4.5302 8.4437 118.7472 55.8282 42.1823 177.9787 7 I 4.8814 8.9604 117.3272 60.6522 39.8962 175.4471 8 R 5.1601 7.7311 122.7527 54.9448 33.9764 173.6070 9 I 5.1130 8.9248 125.7176 59.7225 41.6455 174.1616 10 V 5.1446 9.6265 128.0634 60.9328 34.3619 174.2076 11 L 5.4223 8.8552 127.3277 54.0286 44.4263 174.6717 12 D 5.4845 9.4090 121.4407 51.8114 41.6339 175.2765 13 I 4.9367 8.5552 115.5358 58.9810 41.4525 174.1863 14 L 5.0737 7.7517 124.9638 53.0408 44.9815 174.9855 15 K 4.6472 7.9808 118.6739 54.9469 36.2132 172.8951 16 P 4.6504 0.0000 0.0000 63.0019 31.7080 175.7075 17 H 4.0666 8.9721 115.8749 59.2146 28.7152 175.7800 18 E 4.5674 7.8773 117.6583 54.5616 30.5352 174.8539 19 P 4.4973 0.0000 0.0000 62.2237 32.3046 176.1857 20 I 3.7877 8.3596 120.7682 61.5650 38.6447 176.6846 21 I 3.8546 8.2074 118.9311 62.9566 37.6449 176.3450 22 P 4.2926 0.0000 0.0000 65.5443 30.9680 178.1622 23 E 3.9397 8.0520 117.2850 59.8368 29.4962 178.7337 24 Y 3.6733 8.2677 115.9157 61.2167 37.8219 178.5643 25 A 4.0048 8.0634 121.1417 55.3313 18.3425 178.9026 26 K 3.6193 8.0195 116.0443 60.2677 32.4827 177.5454 27 Y 4.3473 8.8135 119.0939 61.4092 38.9566 179.1532 28 L 3.6987 8.1589 119.2031 57.6379 41.4532 179.6513 29 S 4.1431 7.8100 114.5564 61.2150 62.8083 175.5672 30 E 4.3276 7.6454 118.3478 55.4572 29.7668 176.5390 31 L 4.0189 6.9474 120.2882 53.8776 42.3660 176.3955 32 R 3.8150 8.1290 121.4174 57.9013 30.1842 176.5739 33 G 3.9090 8.7693 112.0766 46.1109 0.0000 172.1727 34 V 4.3616 7.2710 119.5945 61.5351 31.9674 175.5186 35 E 4.1429 9.4018 129.6440 58.9802 30.6631 176.1870 36 G 4.1611 7.7238 103.8007 45.7284 0.0000 172.7380 37 V 4.8649 8.1889 119.4908 60.2571 34.2024 173.4970 38 N 4.8982 9.5992 124.8490 52.0111 41.0195 173.7217 39 I 5.4778 8.4906 125.5645 58.9274 40.3414 174.5191 40 T 4.5403 8.3423 117.6549 59.9766 71.2154 174.2566 41 L 4.4695 8.2135 125.5877 54.4880 43.3753 175.1524 *43 E 4.0130 8.4325 121.5987 56.0556 31.1652 174.5058 44 I 4.0514 8.2915 126.5050 59.4148 37.7243 174.7007 45 D 4.7672 7.7317 125.2761 52.9439 42.2246 177.4284 46 K 4.2155 8.5420 118.6177 60.1652 33.1465 178.4251 47 E 4.1488 8.2514 118.1469 58.5701 29.5267 175.9079 48 T 4.6950 7.2426 112.7578 62.3484 71.0375 171.6382 49 E 4.7536 8.2167 116.6607 55.5806 33.8925 175.4716 50 N 5.3338 8.5523 124.0100 51.8778 41.0540 173.3247 51 I 4.7555 8.5979 119.7021 58.8907 41.6814 174.0598 52 K 4.8830 8.7223 125.0382 54.9756 34.3229 175.1250 53 V 4.6033 8.6530 127.1374 61.5764 34.1460 174.0503 54 T 4.9657 8.8171 125.8085 62.1572 70.4490 173.8505 55 I 4.8680 8.6506 126.2285 59.3479 41.6046 173.7368 56 Q 4.9263 9.4253 128.6653 54.3572 33.3855 174.6648 57 G 3.5746 7.8405 108.4044 45.5002 0.0000 171.3162 58 N 4.4754 8.3214 122.7143 52.4074 39.1242 173.6252 59 D 4.2841 8.5094 124.9857 53.6164 39.2631 172.1311 60 L 4.6055 7.9567 124.7877 52.8434 43.9516 177.3215 61 D 4.6140 8.3613 121.3833 53.1523 41.4395 176.6759 62 F 4.0668 8.8032 129.9847 61.7190 39.3705 176.5815 63 D 4.3724 8.2714 117.7354 56.8784 40.5928 178.2158 64 E 3.9872 8.8246 120.5684 59.2861 29.7192 178.7665 65 I 3.5628 7.6412 119.7988 64.7954 37.2737 178.3922 66 T 3.7399 7.7554 114.1068 64.8320 67.0682 176.3600 67 R 3.8788 8.8238 121.1246 59.4235 29.9665 178.7532 68 A 4.2181 8.4722 119.3672 55.3152 18.5736 179.6300 69 I 3.9001 7.7049 117.6668 64.7043 37.3503 178.1391 70 E 4.0004 7.9982 118.8777 59.9913 29.1552 179.7296 71 S 4.2760 8.0588 113.5685 60.9453 62.8551 174.9045 72 Y 4.2112 8.1200 117.4675 57.5666 37.8594 176.2049 73 G 3.9467 8.8685 108.4042 45.4964 0.0000 174.3074 74 G 3.9597 7.8853 108.2070 45.2137 0.0000 173.7692 75 S 4.3997 8.6310 114.0178 56.9525 65.4416 173.3538 76 I 3.9270 8.4991 129.3994 61.6856 36.4393 175.8537 77 H 4.6691 9.0038 126.3035 58.4930 29.2640 176.4742 78 S 4.4981 7.5984 106.4873 57.2747 65.6734 174.2879 79 V 4.4166 8.3678 122.5443 62.5731 31.0935 175.2760 80 D 4.6852 9.5852 129.9610 56.5035 41.7486 176.5867 81 E 4.7832 7.8215 116.6141 55.2591 33.1214 174.2598 82 V 4.9871 8.2613 124.0743 61.3844 34.8076 174.1434 83 V 4.6188 9.1728 127.1689 61.2070 34.4986 174.0096 84 A 4.9548 8.7196 127.0266 51.1040 22.5210 174.7515 85 G 3.8212 8.2742 103.2497 44.5300 0.0000 173.7067 86 R 4.3990 8.5007 117.6721 57.5502 32.1831 177.1456 87 T 4.5114 7.1112 108.5822 61.7353 66.7235 176.5235 *89 V 3.8139 8.6156 116.0629 62.5676 32.0781 173.7866 90 E 4.5721 8.4302 125.9204 54.2385 31.3080 175.4079 91 E 3.9285 8.6201 121.4577 57.0056 30.0442 176.6532 92 V 4.3683 8.1051 118.8993 59.7343 33.5483 175.7982 93 T 4.2348 8.2081 113.9974 61.6897 69.7839 173.9182 94 T 4.2368 7.8279 114.8491 60.9848 70.0786 171.1449 95 P 4.4591 0.0000 0.0000 62.9812 31.6616 175.6477 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 A 8.25 4.30 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 4 K 8.43 4.03 0.00 1.97 1.88 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.50 7.81 5 G 9.15 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 0.00 0.00 0.00 6 L 8.44 4.53 0.00 1.66 1.69 1.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.96 4.88 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 1.10 1.62 1.03 0.00 0.00 8 R 7.73 5.16 0.00 1.91 1.75 0.00 3.27 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 9 I 8.92 5.11 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 1.12 0.00 0.00 10 V 9.63 5.14 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 1.06 0.00 0.00 0.99 0.00 0.00 11 L 8.86 5.42 0.00 1.82 1.86 0.95 0.96 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 12 D 9.41 5.48 0.00 2.67 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 13 I 8.56 4.94 1.97 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 1.02 0.98 0.93 0.00 0.00 14 L 7.75 5.07 0.00 1.47 1.42 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.98 4.65 0.00 1.76 1.60 0.00 1.28 0.00 0.00 1.49 0.00 0.00 2.42 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.14 1.12 7.81 16 P 0.00 4.65 0.00 2.39 2.10 0.00 4.05 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 17 H 8.97 4.07 0.00 3.15 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.88 4.57 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 2.32 2.40 0.00 19 P 0.00 4.50 0.00 2.33 2.24 0.00 4.16 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 20 I 8.36 3.79 1.90 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 1.47 1.32 0.93 0.00 0.00 21 I 8.21 3.85 1.61 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 1.58 0.61 0.81 0.00 0.00 22 P 0.00 4.29 0.00 2.19 2.17 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 23 E 8.05 3.94 0.00 2.09 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 2.38 2.56 0.00 24 Y 8.27 3.67 0.00 3.04 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 25 A 8.06 4.00 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 26 K 8.02 3.62 0.00 2.12 1.88 0.00 2.06 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.51 7.81 27 Y 8.81 4.35 0.00 3.02 2.93 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 0.00 0.00 0.00 28 L 8.16 3.70 0.00 1.71 1.64 1.04 0.78 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 29 S 7.81 4.14 0.00 4.07 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 30 E 7.65 4.33 0.00 1.83 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 2.36 2.35 0.00 31 L 6.95 4.02 0.00 1.72 1.50 0.86 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.13 3.81 0.00 1.69 2.03 0.00 3.37 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 33 G 8.77 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 34 V 7.27 4.36 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 0.82 0.00 0.00 0.89 0.00 0.00 35 E 9.40 4.14 0.00 2.21 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 0.00 2.29 2.26 0.00 36 G 7.72 4.16 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 0.00 0.00 0.00 37 V 8.19 4.86 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 0.73 0.00 0.00 1.01 0.00 0.00 38 N 9.60 4.90 0.00 2.74 2.70 0.00 0.00 6.52 7.98 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 39 I 8.49 5.48 1.84 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 1.01 1.33 0.88 0.00 0.00 40 T 8.34 4.54 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 1.26 0.00 0.00 41 L 8.21 4.47 0.00 1.64 1.58 0.89 0.87 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 *43 E 8.43 4.01 0.00 2.10 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 2.26 2.31 0.00 44 I 8.29 4.05 1.83 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 1.41 0.96 0.90 0.00 0.00 45 D 7.73 4.77 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.22 0.00 1.87 1.94 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 47 E 8.25 4.15 0.00 2.00 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 0.00 2.32 2.25 0.00 48 T 7.24 4.69 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 1.22 0.00 0.00 49 E 8.22 4.75 0.00 1.93 1.63 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 2.03 2.07 0.00 50 N 8.55 5.33 0.00 2.71 2.77 0.00 0.00 6.95 7.82 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 51 I 8.60 4.76 1.89 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.93 0.76 0.00 0.00 52 K 8.72 4.88 0.00 1.83 1.68 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.36 7.81 53 V 8.65 4.60 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 0.95 0.00 0.00 0.93 0.00 0.00 54 T 8.82 4.97 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 55 I 8.65 4.87 1.87 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 1.12 1.48 1.00 0.00 0.00 56 Q 9.43 4.93 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 57 G 7.84 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 58 N 8.32 4.48 0.00 2.76 2.71 0.00 0.00 7.36 8.02 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 59 D 8.51 4.28 0.00 2.93 2.65 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 0.00 0.00 0.00 0.00 60 L 7.96 4.61 0.00 1.66 1.58 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.36 4.61 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.80 4.07 0.00 3.20 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 63 D 8.27 4.37 0.00 2.85 2.72 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 64 E 8.82 3.99 0.00 2.16 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 2.27 2.33 0.00 65 I 7.64 3.56 1.62 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.91 0.79 0.00 0.00 66 T 7.76 3.74 3.93 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 0.00 0.00 0.99 0.00 0.00 67 R 8.82 3.88 0.00 2.05 1.98 0.00 3.19 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 A 8.47 4.22 1.51 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 69 I 7.70 3.90 1.91 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 1.71 0.74 1.07 0.00 0.00 70 E 8.00 4.00 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 2.37 2.42 0.00 71 S 8.06 4.28 0.00 3.99 3.78 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 72 Y 8.12 4.21 0.00 2.52 2.63 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 73 G 8.87 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 0.00 0.00 0.00 74 G 7.89 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 75 S 8.63 4.40 0.00 3.92 3.71 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 76 I 8.50 3.93 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 1.38 0.69 1.01 0.00 0.00 77 H 9.00 4.67 0.00 3.37 3.39 0.00 5.89 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 78 S 7.60 4.50 0.00 4.02 3.93 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 0.00 0.00 0.00 79 V 8.37 4.42 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 0.88 0.00 0.00 1.07 0.00 0.00 80 D 9.59 4.69 0.00 2.56 2.72 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 81 E 7.82 4.78 0.00 2.01 1.74 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 2.28 2.28 0.00 82 V 8.26 4.99 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 0.79 0.00 0.00 0.90 0.00 0.00 83 V 9.17 4.62 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 1.03 0.00 0.00 0.99 0.00 0.00 84 A 8.72 4.95 1.20 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 0.00 0.00 85 G 8.27 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 0.00 0.00 0.00 86 R 8.50 4.40 0.00 1.78 1.95 0.00 3.18 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 87 T 7.11 4.51 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 *89 V 8.62 3.81 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 0.86 0.00 0.00 0.99 0.00 0.00 90 E 8.43 4.57 0.00 1.99 1.85 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 2.24 2.22 0.00 91 E 8.62 3.93 0.00 1.92 1.88 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 2.30 2.35 0.00 92 V 8.11 4.37 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 0.81 0.00 0.00 0.93 0.00 0.00 93 T 8.21 4.23 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 94 T 7.83 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 95 P 0.00 4.46 0.00 2.21 2.00 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.