NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8968 8.3544 109.7376 45.2795 0.0000 172.9741 0 S 4.2782 8.4350 118.7010 57.5611 63.8502 171.0253 1 M 5.3301 9.4848 126.9299 53.5305 36.0965 174.1951 2 K 5.0758 9.0786 120.9886 54.5121 36.9561 175.0550 3 K 4.7271 9.1743 125.6631 55.3108 33.8611 175.2592 4 V 4.6000 8.9045 128.7043 61.7295 33.1980 174.1382 5 E 5.1847 9.4253 128.2947 54.5208 32.1807 174.8327 6 A 4.9951 9.0751 126.7304 50.0448 22.2764 174.7603 7 I 4.9109 8.5472 124.1157 59.6705 39.3144 175.0027 8 I 5.0032 8.6083 120.3223 58.6229 41.9884 174.8898 9 R 4.2674 8.3741 120.7450 55.4362 30.6371 176.4240 10 P 4.2648 0.0000 0.0000 65.7939 31.4850 178.0934 11 E 4.2006 8.1060 115.1688 57.8390 29.7708 177.8371 12 K 4.3609 7.9580 118.1535 56.2623 32.4557 177.9653 13 L 3.9388 7.6080 121.7815 58.2441 42.0302 178.5974 14 E 3.9377 8.1025 117.8288 59.4349 29.4291 179.0943 15 I 3.6406 7.6517 118.0352 64.0558 38.0978 177.8446 16 V 3.5672 7.8484 119.0576 65.9861 31.3387 178.0249 17 K 3.9319 8.3124 118.4754 59.3096 31.8340 179.2582 18 K 3.9055 8.0992 119.5269 59.4634 32.2491 178.5939 19 A 4.0189 8.1617 121.1734 55.2362 18.2617 179.5610 20 L 4.0861 8.2107 117.5589 58.0597 41.7570 179.6430 21 S 4.2029 8.2470 113.0088 61.7156 62.1401 176.0449 22 D 4.4066 8.4284 120.1654 56.5664 40.5648 177.5569 23 A 4.4379 7.5450 118.7491 51.7427 19.1743 177.7741 24 G 3.6106 8.0250 106.4234 45.3815 0.0000 174.2659 25 Y 4.5690 7.4627 118.0956 56.6700 36.9135 175.2155 26 V 4.0235 8.1205 117.7784 62.1771 33.0319 177.0710 27 G 3.8637 8.0376 109.2894 45.2136 0.0000 172.3843 28 M 5.0675 8.2743 121.6066 54.1825 34.6790 174.1573 29 T 4.7094 8.9512 116.5939 61.7699 71.9469 173.2568 30 V 5.0634 8.4653 125.2409 61.1114 34.3255 174.6422 31 S 4.7975 8.9802 121.0983 56.6150 66.8591 172.6114 32 E 4.6652 8.7563 121.3577 56.0883 30.4264 175.9920 33 V 4.6563 8.6724 116.7038 59.6912 36.6882 174.1595 34 K 5.0525 9.7727 119.3783 54.2630 35.1227 176.1890 35 G 4.8091 8.5606 113.1017 44.1815 0.0000 172.5284 36 R 4.1419 7.7988 118.4164 55.3825 30.4593 174.5633 37 G 3.9840 7.7847 105.2780 44.7641 0.0000 175.0927 38 V 4.3178 7.9825 118.4878 62.1499 36.7908 175.7155 *53 V 4.0272 7.5604 114.7717 60.6604 33.6363 181.7011 54 D 4.4019 7.7868 120.4326 53.0167 41.3962 172.4129 55 L 4.5921 8.2301 120.7795 53.7913 42.4950 176.6001 56 I 4.6765 8.2162 116.1345 57.9953 41.3529 172.9512 57 P 4.8556 0.0000 0.0000 63.0205 32.0051 175.8129 58 K 4.7589 9.2873 122.1774 54.9122 37.4926 174.9612 59 V 4.8145 8.6591 120.8281 61.0835 34.4857 173.9815 60 K 4.9039 9.1458 129.5367 55.0480 33.9614 174.6546 61 I 4.8649 8.8827 129.1592 59.7272 39.6006 174.5191 62 E 5.1676 9.3199 126.3508 54.5293 32.7107 174.9632 63 L 4.9520 8.9809 124.2509 52.8833 45.6234 175.5564 64 V 4.7287 8.4961 123.8428 61.7553 32.6328 175.1859 65 V 4.7092 8.7968 120.3436 59.0358 36.7431 175.2895 66 K 4.3647 8.6692 121.0530 56.6229 32.8729 177.9143 67 E 3.9689 8.9823 123.3205 59.5723 29.2125 179.3307 68 E 4.0945 8.1867 115.9472 58.7372 29.9966 177.7026 69 D 4.7271 8.0260 118.6281 54.7016 41.2286 178.4650 70 V 3.4991 7.5541 119.7670 66.0513 31.5364 177.4344 71 D 4.3156 8.0448 118.0939 57.4173 40.6982 178.2228 72 N 4.2886 8.0695 116.9255 56.5895 39.0557 176.8158 73 V 3.2501 7.6523 119.5819 65.9905 31.4896 177.9460 74 I 3.6129 7.7926 119.5877 64.3815 36.8786 177.9034 75 D 4.2693 8.1968 118.7385 57.4085 41.1521 178.1977 76 I 3.6920 7.8252 120.2670 64.4911 37.0559 178.4874 77 I 3.6487 7.8178 120.3618 64.6045 37.0581 178.2396 78 C 4.0791 8.1901 117.6064 62.9608 27.7545 176.0540 79 E 3.9663 8.1380 118.8692 59.3734 29.1587 178.6374 80 N 4.5912 8.0085 114.0598 54.5668 39.0984 176.6108 81 A 4.3347 8.1575 121.5404 52.3181 19.7243 177.8896 82 R 4.3297 7.2204 113.6435 56.3741 30.1823 176.6263 83 T 4.4043 10.1986 109.5947 60.7636 70.3207 175.1723 84 G 3.9467 8.8664 109.5101 45.0649 0.0000 172.5991 85 N 5.0183 7.7205 116.8467 50.2423 41.1151 172.5962 86 P 4.3254 0.0000 0.0000 64.5588 31.8230 176.8499 87 G 4.0615 8.8613 109.8011 45.5091 0.0000 174.2804 88 D 4.2916 7.3484 121.0337 55.7385 41.0467 175.1414 89 G 4.2147 8.2311 101.9460 44.6925 0.0000 172.3555 90 K 4.5792 8.1572 115.5196 54.7531 36.8109 175.5329 91 I 4.6710 7.9476 122.4454 59.4509 40.1211 174.9369 92 F 5.1760 9.0811 124.7410 55.6654 42.4783 174.2424 93 V 4.8864 8.5811 122.0068 61.2587 33.5023 174.6372 94 I 4.7522 8.7586 128.9533 58.4167 40.4101 173.3423 95 P 4.6021 0.0000 0.0000 62.9949 32.0156 175.6583 96 V 4.3416 8.2889 122.8510 61.4101 32.6350 175.3268 97 E 4.2846 9.0389 127.6106 58.3842 30.0805 177.0336 98 R 4.6783 7.5230 115.4269 54.6770 34.3895 174.1270 99 V 4.5119 8.2966 120.6030 61.0951 34.8388 174.1717 100 V 4.8696 8.3157 126.4697 61.0564 34.6724 174.3647 101 R 4.2109 8.8347 128.7152 55.5041 30.5592 176.9907 102 V 3.6098 8.7624 127.1282 66.0528 31.6757 177.3318 103 R 4.1390 8.0005 114.4455 58.0744 29.7054 176.9265 104 T 4.3348 7.7632 106.0703 60.2562 70.4359 174.6847 105 K 3.9163 8.6114 119.8959 56.9838 30.5458 175.4069 106 E 4.0751 7.9381 118.8540 56.7613 29.8151 176.0358 107 E 5.6974 7.7870 119.6015 53.9345 33.7125 177.3337 108 G 3.7936 8.4554 106.8989 46.1653 0.0000 175.3012 109 K 4.0099 8.5872 117.4353 60.2098 32.2833 178.9986 110 E 3.9345 8.1655 118.3750 59.1835 29.4710 178.6727 111 A 4.1335 7.8685 119.6568 54.2896 18.5057 178.6857 112 L 4.5427 7.5834 114.9680 54.7701 43.6853 178.4326 113 L 4.3941 7.8633 120.4442 54.6180 38.3489 176.7339 114 E 4.2731 8.1234 119.6980 56.0725 29.8054 176.8930 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 -1 G 8.35 3.90 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 0.00 0.00 0.00 0 S 8.44 4.28 0.00 4.01 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 1 M 9.48 5.33 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 2 K 9.08 5.08 0.00 1.59 1.64 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 K 9.17 4.73 0.00 1.79 1.69 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.38 7.81 4 V 8.90 4.60 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 0.92 0.00 0.00 0.87 0.00 0.00 5 E 9.43 5.18 0.00 2.07 1.92 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 2.28 2.32 0.00 6 A 9.08 5.00 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 0.00 0.00 0.00 0.00 0.00 7 I 8.55 4.91 1.79 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.86 0.91 0.00 0.00 8 I 8.61 5.00 1.84 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 1.20 0.69 0.86 0.00 0.00 9 R 8.37 4.27 0.00 1.88 2.22 0.00 3.13 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 10 P 0.00 4.26 0.00 2.17 2.10 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 11 E 8.11 4.20 0.00 1.93 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 2.31 2.39 0.00 12 K 7.96 4.36 0.00 1.93 1.81 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.72 7.81 13 L 7.61 3.94 0.00 1.74 1.79 0.92 1.32 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 14 E 8.10 3.94 0.00 2.02 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 2.40 2.31 0.00 15 I 7.65 3.64 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 1.52 1.44 0.96 0.00 0.00 16 V 7.85 3.57 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 1.05 0.00 0.00 0.94 0.00 0.00 17 K 8.31 3.93 0.00 2.13 1.86 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.46 7.81 18 K 8.10 3.91 0.00 2.00 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 19 A 8.16 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 20 L 8.21 4.09 0.00 1.96 2.01 0.91 1.05 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 21 S 8.25 4.20 0.00 3.97 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 22 D 8.43 4.41 0.00 2.82 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 23 A 7.55 4.44 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 24 G 8.02 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 25 Y 7.46 4.57 0.00 3.09 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 26 V 8.12 4.02 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 0.70 0.00 0.00 0.94 0.00 0.00 27 G 8.04 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 28 M 8.27 5.07 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 29 T 8.95 4.71 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 30 V 8.47 5.06 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 0.84 0.00 0.00 0.94 0.00 0.00 31 S 8.98 4.80 0.00 3.88 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 32 E 8.76 4.67 0.00 1.88 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 2.29 2.34 0.00 33 V 8.67 4.66 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 0.78 0.00 0.00 0.98 0.00 0.00 34 K 9.77 5.05 0.00 1.59 1.67 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.41 7.81 35 G 8.56 4.81 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 0.00 0.00 0.00 36 R 7.80 4.14 0.00 1.93 1.97 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 37 G 7.78 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 38 V 7.98 4.32 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 0.68 0.00 0.00 0.93 0.00 0.00 *53 V 7.56 4.03 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 0.87 0.00 0.00 0.93 0.00 0.00 54 D 7.79 4.40 0.00 2.77 2.68 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 55 L 8.23 4.59 0.00 1.57 1.59 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.22 4.68 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 1.42 0.97 0.91 0.00 0.00 57 P 0.00 4.86 0.00 1.96 2.03 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 58 K 9.29 4.76 0.00 1.59 1.74 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.51 7.81 59 V 8.66 4.81 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 1.03 0.00 0.00 0.93 0.00 0.00 60 K 9.15 4.90 0.00 1.85 1.67 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 I 8.88 4.86 1.85 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 1.22 0.58 0.90 0.00 0.00 62 E 9.32 5.17 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 63 L 8.98 4.95 0.00 1.52 1.49 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.50 4.73 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 0.85 0.00 0.00 0.94 0.00 0.00 65 V 8.80 4.71 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 0.69 0.00 0.00 0.87 0.00 0.00 66 K 8.67 4.36 0.00 2.04 1.77 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.47 7.81 67 E 8.98 3.97 0.00 2.04 1.97 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 2.32 2.34 0.00 68 E 8.19 4.09 0.00 2.18 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 0.00 2.31 2.44 0.00 69 D 8.03 4.73 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.55 3.50 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 1.08 0.00 0.00 0.93 0.00 0.00 71 D 8.04 4.32 0.00 2.73 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 72 N 8.07 4.29 0.00 2.90 3.04 0.00 0.00 6.80 7.71 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 73 V 7.65 3.25 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 0.73 0.00 0.00 0.06 0.00 0.00 74 I 7.79 3.61 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 1.35 0.53 0.87 0.00 0.00 75 D 8.20 4.27 0.00 2.83 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 76 I 7.83 3.69 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 0.95 0.00 0.00 77 I 7.82 3.65 1.81 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 1.48 0.73 0.86 0.00 0.00 78 C 8.19 4.08 0.00 2.93 2.96 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 79 E 8.14 3.97 0.00 2.08 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 0.00 2.51 2.50 0.00 80 N 8.01 4.59 0.00 2.79 2.86 0.00 0.00 6.99 7.29 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 81 A 8.16 4.33 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 82 R 7.22 4.33 0.00 1.94 2.01 0.00 3.09 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.55 0.00 83 T 10.20 4.40 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 1.20 0.00 0.00 84 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 85 N 7.72 5.02 0.00 2.84 2.70 0.00 0.00 6.94 8.03 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 86 P 0.00 4.33 0.00 2.03 1.99 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 87 G 8.86 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 88 D 7.35 4.29 0.00 2.69 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 89 G 8.23 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 0.00 0.00 0.00 0.00 90 K 8.16 4.58 0.00 1.43 1.06 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.36 7.81 91 I 7.95 4.67 1.74 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 0.47 0.88 0.00 0.00 92 F 9.08 5.18 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 4.89 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 0.82 0.00 0.00 0.94 0.00 0.00 94 I 8.76 4.75 1.89 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 1.27 0.54 0.91 0.00 0.00 95 P 0.00 4.60 0.00 2.07 2.06 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.29 4.34 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 0.85 0.00 0.00 0.94 0.00 0.00 97 E 9.04 4.28 0.00 2.00 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 2.29 2.32 0.00 98 R 7.52 4.68 0.00 1.75 1.77 0.00 3.15 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 99 V 8.30 4.51 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 0.99 0.00 0.00 0.94 0.00 0.00 100 V 8.32 4.87 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 0.84 0.00 0.00 0.93 0.00 0.00 101 R 8.83 4.21 0.00 1.94 1.79 0.00 3.33 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 102 V 8.76 3.61 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 0.88 0.00 0.00 0.93 0.00 0.00 103 R 8.00 4.14 0.00 1.96 2.05 0.00 3.04 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 104 T 7.76 4.33 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 0.00 105 K 8.61 3.92 0.00 1.89 1.93 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.39 7.81 106 E 7.94 4.08 0.00 2.05 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 2.33 2.29 0.00 107 E 7.79 5.70 0.00 1.92 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 2.20 2.22 0.00 108 G 8.46 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 4.01 0.00 2.00 2.10 0.00 1.52 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.54 7.81 110 E 8.17 3.93 0.00 2.10 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 2.32 2.44 0.00 111 A 7.87 4.13 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 0.00 112 L 7.58 4.54 0.00 1.75 1.75 0.98 0.98 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 0.00 113 L 7.86 4.39 0.00 1.79 1.65 0.92 1.02 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 0.00 114 E 8.12 4.27 0.00 2.05 1.90 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 2.30 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.