NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2717 8.2644 123.5804 51.8206 18.9132 175.8670 3 V 3.6700 8.0218 123.9414 62.3947 32.9418 169.8803 4 V 4.3804 9.1252 129.3762 61.7234 32.0939 174.5588 5 T 4.3338 9.3486 126.4231 63.5692 70.0108 174.8794 6 Q 4.5151 8.1029 121.5618 55.1978 32.5034 173.2283 7 E 4.7056 8.5005 118.4624 56.6908 31.3035 174.2378 8 S 4.5589 7.8428 111.2352 58.5245 67.9789 174.6775 9 A 4.5502 7.1345 117.8393 51.7643 20.3320 174.9507 10 L 4.3785 7.6304 122.5384 54.5339 43.3724 176.8088 11 T 4.7356 7.9693 114.2852 63.2781 71.8842 173.4929 12 T 4.6476 8.3078 116.1098 61.0842 71.3585 172.2820 13 S 4.6712 8.3913 119.5715 55.6179 65.5817 171.2593 14 P 4.7340 0.0000 0.0000 63.2486 31.4485 176.0583 15 G 4.0465 8.9476 110.9837 45.4456 0.0000 173.5548 16 E 4.3017 7.6593 117.8953 56.4364 31.1356 175.9287 17 T 4.8444 8.2739 117.8717 61.9611 70.5170 174.6990 18 V 4.5114 7.9877 125.1013 60.0847 34.6488 174.5168 19 T 4.8324 8.5169 119.4663 61.8452 70.9379 173.5639 20 L 4.9367 8.0626 125.5645 53.4678 44.9401 175.0856 21 T 5.1250 7.9727 106.9353 60.8245 72.1793 173.4124 22 C 4.5645 8.6964 119.8125 56.2592 44.3593 171.6068 23 R 4.7526 12.0000 127.1727 54.6702 31.5926 174.9812 24 S 4.7209 8.6096 121.8392 58.0091 62.4379 174.2081 25 S 4.3295 8.4514 122.2378 61.1481 63.5027 176.0347 26 T 3.7955 7.9573 110.4102 64.1444 68.9066 174.5712 *28 A 4.0664 7.5922 123.1847 51.1767 19.6418 175.8385 29 V 4.0690 7.8290 121.4331 62.5703 32.3425 176.0401 30 T 4.4680 8.1668 114.4879 61.5093 69.3677 172.9897 *36 N 4.6958 8.0282 119.0113 53.7249 39.9111 173.7084 37 W 4.8201 9.0095 125.5727 55.3675 29.9447 176.7275 38 V 4.0517 8.8111 126.0886 62.6315 33.0757 174.9512 39 Q 4.1408 8.8282 123.4235 54.5630 31.0127 172.5522 40 E 4.2038 8.8876 127.6336 54.2225 29.7566 176.0262 41 K 4.2547 8.1288 126.6629 54.9528 33.7646 175.1769 42 P 4.1368 0.0000 0.0000 64.0087 31.6566 175.9405 43 R 3.7116 8.6324 116.7278 57.6867 27.9517 175.4454 44 H 4.1707 8.0687 109.1145 56.2501 26.5784 174.5868 45 L 4.5729 7.2833 117.2646 54.2458 42.9185 176.3447 46 F 5.1654 8.5161 120.6041 56.3790 43.1910 175.0845 47 T 4.3196 8.2555 114.2298 62.7977 72.9656 173.7427 48 G 4.0116 8.9762 114.4075 46.7381 0.0000 171.5007 49 L 4.7861 8.8316 117.9492 55.3035 44.3950 176.4156 50 I 4.9865 7.7825 118.1807 59.8042 41.3229 174.7149 51 G 4.2999 8.7774 112.3492 45.9382 0.0000 173.4257 52 G 3.5471 8.9152 113.4468 46.8590 0.0000 172.8519 53 T 3.7679 8.0041 120.7768 63.1059 67.3221 173.2918 54 N 4.9523 7.6382 115.4510 52.4591 38.9359 173.7147 55 N 4.6731 8.0965 117.3715 52.4688 38.9672 175.2218 56 R 4.6466 8.4038 122.3274 55.6415 31.4967 176.1946 57 A 4.3122 7.9652 120.2729 53.2809 20.2904 175.9428 *61 P 4.2775 0.0000 0.0000 62.0563 32.5932 177.4673 62 A 4.1833 8.5185 122.5979 55.1428 18.3457 179.2772 63 R 3.8596 7.9901 112.6106 59.4724 30.5452 176.6998 64 F 4.6944 7.7790 117.6719 56.6635 37.4387 174.9324 65 S 4.8146 8.7626 117.9425 56.1477 65.9431 173.5656 66 G 3.9776 8.4650 107.9651 44.2174 0.0000 172.4330 67 S 4.7305 7.7741 112.8490 57.7858 66.6286 173.1540 68 L 4.9166 8.5389 118.5587 53.4786 44.2026 176.8177 69 I 4.3159 7.9477 123.8439 59.4567 38.1265 176.4375 70 G 4.0049 8.9965 116.4472 45.5055 0.0000 171.0564 71 N 5.1847 8.3331 114.6549 51.5881 39.4137 175.6898 72 K 4.9533 8.1653 118.0593 55.7668 36.1397 176.0324 73 A 4.4167 8.6650 127.0366 52.3370 19.3124 175.9729 74 A 5.0521 8.7788 121.5282 49.2634 23.3080 175.2950 75 L 4.2341 7.5775 119.7253 52.6970 43.4800 173.4233 76 T 4.2983 7.9466 120.3619 63.0511 69.6360 173.4743 77 I 4.3925 8.0513 128.3448 59.0310 37.5689 173.5999 78 T 3.9465 8.0127 122.2562 63.2208 68.7364 174.0878 79 G 3.4223 8.4819 116.2959 45.6776 0.0000 172.5034 80 A 3.9082 7.7920 122.3315 52.2897 19.2729 178.4153 81 Q 4.4160 8.4305 121.9987 54.7439 30.5283 177.0165 82 T 3.8275 8.3148 114.9120 66.6994 68.5937 177.1879 83 E 4.1776 8.1092 117.9704 58.7150 30.0381 177.7006 84 D 4.6581 7.6135 119.2018 56.9362 41.0614 176.7088 85 E 3.8380 7.4624 117.8243 56.5171 29.8157 176.0800 86 A 4.3883 7.9044 129.1522 51.4779 21.5857 176.2601 87 I 3.6631 7.3347 122.1042 61.7433 36.9518 175.6222 88 Y 4.6671 8.3423 124.3860 57.8016 39.0856 174.9711 89 F 5.2539 9.0524 118.9750 56.0256 43.8069 171.6524 90 C 5.2184 9.0178 113.4249 52.7735 45.2555 172.4499 91 A 4.6724 7.6257 120.4075 50.2375 22.2629 175.4296 *99 V 3.6432 8.1594 116.9263 63.0313 32.1373 174.8793 100 F 4.4826 8.5175 125.3131 55.2684 41.2291 175.0237 101 G 4.3173 8.4272 110.4965 45.6510 0.0000 173.6092 102 G 3.9110 9.1320 106.9019 44.7361 0.0000 175.5345 103 G 4.0374 9.4657 102.6483 46.4707 0.0000 170.9408 104 T 3.8720 7.5165 120.0941 61.7959 75.4264 173.7947 105 K 4.1404 8.2064 133.6348 56.2528 31.3598 174.9535 106 L 4.3285 8.2960 127.9795 54.9625 42.4553 176.0142 107 T 4.5368 8.4579 121.5926 61.8492 71.8569 172.7649 108 V 4.5581 7.6943 127.4538 60.6334 32.5794 176.0600 109 L 4.1917 8.4703 126.7341 55.1409 41.5777 176.7519 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 4.27 1.26 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 0.00 0.00 3 V 8.02 3.67 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 4 V 9.13 4.38 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 0.81 0.00 0.00 0.88 0.00 0.00 5 T 9.35 4.33 4.34 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 1.22 0.00 0.00 6 Q 8.10 4.52 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 7 E 8.50 4.71 0.00 1.96 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 2.31 2.38 0.00 8 S 7.84 4.56 0.00 3.78 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 9 A 7.13 4.55 1.22 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 0.00 0.00 10 L 7.63 4.38 0.00 1.66 1.67 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.97 4.74 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 12 T 8.31 4.65 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 13 S 8.39 4.67 0.00 3.92 3.69 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 14 P 0.00 4.73 0.00 2.07 1.97 0.00 3.74 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 15 G 8.95 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 16 E 7.66 4.30 0.00 2.03 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 2.31 2.42 0.00 17 T 8.27 4.84 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 1.15 0.00 0.00 18 V 7.99 4.51 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 0.67 0.00 0.00 0.91 0.00 0.00 19 T 8.52 4.83 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 1.18 0.00 0.00 20 L 8.06 4.94 0.00 1.53 1.83 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.97 5.12 4.31 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 1.33 0.00 0.00 22 C 8.70 4.56 0.00 2.71 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 23 R 12.00 4.75 0.00 1.99 1.78 0.00 3.20 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 24 S 8.61 4.72 0.00 3.91 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 25 S 8.45 4.33 0.00 4.04 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 26 T 7.96 3.80 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 *28 A 7.59 4.07 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 29 V 7.83 4.07 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 0.85 0.00 0.00 1.00 0.00 0.00 30 T 8.17 4.47 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 *36 N 8.03 4.70 0.00 2.64 2.92 0.00 0.00 6.97 7.68 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 37 W 9.01 4.82 0.00 3.36 3.32 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 38 V 8.81 4.05 2.49 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 1.28 0.00 0.00 1.22 0.00 0.00 39 Q 8.83 4.14 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.76 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 40 E 8.89 4.20 0.00 1.56 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 1.82 1.47 0.00 41 K 8.13 4.25 0.00 1.60 1.62 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.32 7.81 42 P 0.00 4.14 0.00 1.98 1.94 0.00 3.70 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 43 R 8.63 3.71 0.00 1.90 1.99 0.00 3.37 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 44 H 8.07 4.17 0.00 3.39 3.46 0.00 5.76 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.28 4.57 0.00 1.62 1.54 0.94 1.00 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 46 F 8.52 5.17 0.00 2.84 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 47 T 8.26 4.32 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 48 G 8.98 4.01 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 0.00 0.00 0.00 49 L 8.83 4.79 0.00 1.76 1.47 0.71 0.39 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 50 I 7.78 4.99 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.29 1.07 0.00 0.00 51 G 8.78 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.92 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.77 4.29 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 1.27 0.00 0.00 54 N 7.64 4.95 0.00 2.81 2.81 0.00 0.00 5.97 8.04 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 55 N 8.10 4.67 0.00 3.07 2.82 0.00 0.00 7.05 7.66 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 56 R 8.40 4.65 0.00 1.83 1.90 0.00 3.25 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 57 A 7.97 4.31 1.31 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 0.00 0.00 *61 P 0.00 4.28 0.00 2.42 2.11 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 62 A 8.52 4.18 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 63 R 7.99 3.86 0.00 1.73 2.08 0.00 2.62 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.92 0.00 64 F 7.78 4.69 0.00 3.16 2.98 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 65 S 8.76 4.81 0.00 3.79 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 66 G 8.46 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 67 S 7.77 4.73 0.00 3.88 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 68 L 8.54 4.92 0.00 1.62 1.60 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.95 4.32 1.90 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 1.23 1.30 0.92 0.00 0.00 70 G 9.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.33 5.18 0.00 2.80 2.96 0.00 0.00 5.70 6.92 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 72 K 8.17 4.95 0.00 1.77 1.77 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 73 A 8.66 4.42 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 5.05 1.26 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 0.00 0.00 75 L 7.58 4.23 0.00 0.27 0.58 0.54 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.95 4.30 4.13 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 0.00 0.00 1.13 0.00 0.00 77 I 8.05 4.39 1.69 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.56 0.48 0.00 0.00 78 T 8.01 3.95 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 1.15 0.00 0.00 79 G 8.48 3.42 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 80 A 7.79 3.91 1.22 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 0.00 0.00 81 Q 8.43 4.42 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 82 T 8.31 3.83 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 83 E 8.11 4.18 0.00 2.10 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 0.00 2.33 2.40 0.00 84 D 7.61 4.66 0.00 2.98 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 85 E 7.46 3.84 0.00 1.99 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 2.31 2.28 0.00 86 A 7.90 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.33 3.66 1.88 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 1.11 0.53 0.22 0.00 0.00 88 Y 8.34 4.67 0.00 2.83 3.12 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 89 F 9.05 5.25 0.00 3.15 3.03 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 0.00 0.00 0.00 90 C 9.02 5.22 0.00 1.56 2.17 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 0.00 91 A 7.63 4.67 0.76 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 *99 V 8.16 3.64 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 1.07 0.00 0.00 0.92 0.00 0.00 100 F 8.52 4.48 0.00 2.99 2.81 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 0.00 101 G 8.43 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 0.00 102 G 9.13 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 0.00 103 G 9.47 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 0.00 0.00 0.00 104 T 7.52 3.87 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 1.29 0.00 0.00 105 K 8.21 4.14 0.00 1.75 2.13 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.25 7.81 106 L 8.30 4.33 0.00 1.82 1.73 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.46 4.54 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 0.00 108 V 7.69 4.56 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 0.94 0.00 0.00 1.02 0.00 0.00 109 L 8.47 4.19 0.00 1.68 1.56 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.