NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3849 8.0433 120.6333 54.9300 44.1397 178.9255 8 E 3.9367 8.0271 117.8572 58.6282 29.4295 177.5432 9 A 4.1166 8.7607 121.8712 55.0944 18.9614 179.2875 10 Q 4.0003 8.1100 116.0496 59.0340 28.9780 178.4779 11 A 4.0443 8.1679 121.9243 54.8477 18.2680 179.5601 12 W 3.9780 8.3535 126.4140 60.6191 30.6314 178.1831 13 A 4.0856 8.0898 119.6301 55.1689 17.9407 179.3250 14 L 4.1036 8.1914 117.6701 57.7615 41.7168 179.5016 15 L 3.9989 7.8358 118.5395 57.0617 41.3297 178.6259 16 E 4.0999 7.6080 117.0585 57.7753 29.4311 177.8143 17 A 4.6883 7.5135 119.9616 51.8226 19.5493 176.9977 18 V 3.9807 7.4667 118.8348 62.4125 32.3758 174.3633 19 Y 4.8190 8.6031 125.8929 56.2571 40.2870 175.2045 20 D 4.5902 8.9747 124.7931 52.4108 41.5052 174.8330 21 P 4.2713 0.0000 0.0000 66.0879 31.2855 177.3347 22 E 4.0809 8.1991 117.1782 58.7369 27.9699 177.9454 23 L 4.4192 7.8762 115.5619 53.5942 42.9055 177.3133 24 G 4.1698 8.2384 106.4010 46.2234 0.0000 173.3968 25 L 4.6964 7.0800 117.4038 51.6032 45.3899 176.0067 26 D 4.2150 7.1732 120.0381 52.8768 41.5490 177.7227 27 V 3.4276 8.2265 115.3926 64.6083 31.5891 179.4117 28 V 3.1978 7.3306 117.3625 66.0252 31.5214 177.7803 29 N 4.4919 8.7567 116.2464 55.6168 38.1545 176.6652 30 L 4.3853 7.7084 120.4405 55.3673 42.2508 177.0086 31 G 4.2186 7.6523 105.0124 47.5724 0.0000 174.7023 32 L 4.0133 7.9923 120.6017 55.5002 42.0543 177.1772 33 I 4.0984 7.5876 119.8057 60.5843 37.4624 174.7521 34 Y 4.8988 8.8237 124.4361 59.9600 39.0944 175.8213 35 D 4.9198 7.9502 116.6598 53.0436 45.1244 174.1243 36 L 5.1856 8.5059 125.9770 53.8365 45.2916 175.1283 37 V 4.6385 9.6512 126.1930 61.2355 34.9370 173.8725 38 V 4.5521 9.1348 128.4073 61.3561 33.2577 176.0541 39 E 4.6819 9.6454 127.7375 53.5034 31.0642 171.5476 40 P 4.4748 0.0000 0.0000 61.6729 32.4442 174.0966 41 P 5.6485 0.0000 0.0000 62.6838 32.5718 175.3102 42 R 5.3432 8.4198 119.4761 54.8669 33.5154 174.7811 43 A 5.1650 9.1068 122.8556 50.4370 22.7664 174.4315 44 Y 5.2643 9.6410 123.3573 55.6741 42.3265 174.6264 45 V 4.6423 7.9592 125.0244 59.8900 35.0119 174.1975 46 R 4.8673 8.5632 124.4844 53.9477 33.0508 175.0508 *48 T 3.9551 8.0570 117.1687 61.9076 67.0941 172.1609 49 L 4.6841 7.7770 120.3449 52.5844 44.9837 177.9621 50 T 3.3195 7.9984 109.8283 63.4780 69.0276 174.6582 51 T 4.6192 6.9608 116.9444 60.9694 71.1258 173.6022 52 P 3.4594 0.0000 0.0000 60.1266 29.5547 175.5289 53 G 3.8449 6.4949 107.7414 45.4585 0.0000 170.7494 54 C 4.5054 8.7133 120.2462 58.3944 28.9379 172.2895 55 P 4.6630 0.0000 0.0000 61.7010 32.2380 176.2690 56 L 4.0758 8.4637 119.0346 57.3599 41.6950 177.3788 57 H 4.7943 7.8608 117.0634 53.8522 32.5768 173.9213 58 D 4.5670 8.3240 129.2477 52.8495 37.8205 176.1829 59 S 3.9353 7.5885 120.4083 61.2447 63.4435 175.9715 60 L 3.9332 7.8024 122.4219 58.1918 41.9581 179.0090 61 G 4.1166 8.1977 106.4409 47.2256 0.0000 174.9764 62 E 3.8875 8.3217 121.5650 59.0636 29.6749 178.8558 63 A 4.0060 8.3573 121.2301 54.9870 18.3968 179.8155 64 V 3.4984 7.8737 117.0795 65.8466 31.6046 178.3156 65 R 3.8256 7.8653 118.6595 59.4937 29.7303 178.5363 66 Q 3.9718 7.9216 116.4441 58.8231 28.8545 178.3812 67 A 4.1207 7.9422 121.7615 55.2763 18.4778 179.7929 68 L 3.9829 7.9177 117.6549 57.7033 41.4015 179.8264 69 S 4.2462 7.8172 113.5627 61.2052 62.7954 175.3503 70 R 4.3269 7.3680 119.4518 56.2965 29.7498 176.2089 71 L 4.3732 7.7203 119.3905 52.8013 42.6066 174.5716 72 P 4.3307 0.0000 0.0000 65.0423 31.2806 176.3950 73 G 3.8384 9.1937 111.6212 45.0211 0.0000 171.5886 74 V 4.6328 7.3815 119.0219 61.1640 32.3563 175.0358 75 E 4.7087 8.7114 125.2108 55.8811 32.1413 175.7164 76 E 4.6574 9.0142 120.0598 54.3488 32.7623 174.9882 77 V 4.7749 8.5405 124.5228 60.9635 34.1488 173.9460 78 E 4.6318 9.2964 129.5620 54.3614 31.9514 174.4936 79 V 4.5270 8.4095 126.8159 61.2647 33.5585 174.4165 80 E 4.4003 8.7240 129.4054 54.9742 30.9927 175.6419 81 V 4.0218 8.1929 125.7772 61.6435 31.9528 174.8222 82 T 4.3981 8.0301 121.3672 60.3291 70.2818 173.4130 83 F 5.0399 8.4110 119.8991 56.9774 39.8332 174.6006 84 E 4.8386 8.2990 120.7563 53.8154 31.4333 174.3816 85 P 4.6436 0.0000 0.0000 61.2003 32.4344 174.2596 86 P 4.8091 0.0000 0.0000 61.7692 31.9136 176.2514 87 W 4.5217 8.9880 132.3134 57.6669 31.6281 174.8224 88 T 4.4310 6.9710 112.1927 59.4129 71.5872 174.7090 89 L 3.4525 7.8847 121.1628 57.2285 41.7367 179.5847 90 A 3.9766 7.1509 120.4398 54.7781 18.3955 178.4822 91 R 4.1997 7.5852 113.7050 56.9467 30.4583 176.8322 92 L 4.5368 7.6303 118.9270 54.6140 42.4051 177.0923 93 S 4.5806 8.5583 116.3415 57.3921 64.4125 174.9816 94 E 3.9602 8.7964 121.2757 59.3394 29.3159 178.7180 95 K 3.8769 8.1210 118.9357 59.5249 32.3915 178.3961 96 A 3.9613 7.9864 120.8429 55.1195 18.2298 179.8145 97 R 3.9112 8.0221 116.4938 59.6699 30.3096 179.5287 98 R 3.9408 8.2633 117.9066 59.2589 29.7695 179.0451 99 L 4.0886 7.6184 117.7402 56.7564 41.7865 178.3447 100 L 4.0785 7.3863 116.5042 53.6349 41.8777 176.8909 101 G 3.8927 7.4086 106.1212 46.3832 0.0000 173.9162 102 W 4.6556 8.2596 125.2467 56.5103 29.2845 176.1399 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 7 L 8.04 4.38 0.00 1.75 1.81 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.03 3.94 0.00 2.07 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 2.42 2.40 0.00 9 A 8.76 4.12 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 10 Q 8.11 4.00 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 11 A 8.17 4.04 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 12 W 8.35 3.98 0.00 3.65 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 13 A 8.09 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 14 L 8.19 4.10 0.00 1.86 1.71 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.84 4.00 0.00 1.46 1.39 0.74 0.76 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 16 E 7.61 4.10 0.00 2.02 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 2.16 2.20 0.00 17 A 7.51 4.69 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.47 3.98 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 0.94 0.00 0.00 0.90 0.00 0.00 19 Y 8.60 4.82 0.00 2.77 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 20 D 8.97 4.59 0.00 2.57 2.44 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 21 P 0.00 4.27 0.00 2.21 2.20 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 22 E 8.20 4.08 0.00 2.10 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 2.35 2.28 0.00 23 L 7.88 4.42 0.00 1.63 1.59 0.98 1.36 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 24 G 8.24 4.17 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 0.00 0.00 0.00 25 L 7.08 4.70 0.00 1.55 1.33 0.79 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.17 4.22 0.00 2.54 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 0.00 0.00 0.00 27 V 8.23 3.43 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 0.62 0.00 0.00 0.71 0.00 0.00 28 V 7.33 3.20 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 0.63 0.00 0.00 -0.11 0.00 0.00 29 N 8.76 4.49 0.00 2.71 2.82 0.00 0.00 6.74 6.68 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 30 L 7.71 4.39 0.00 1.78 1.64 0.94 0.99 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 31 G 7.65 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 0.00 0.00 0.00 32 L 7.99 4.01 0.00 1.56 1.57 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.59 4.10 1.81 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 1.16 0.45 0.95 0.00 0.00 34 Y 8.82 4.90 0.00 2.97 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 35 D 7.95 4.92 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 36 L 8.51 5.19 0.00 1.78 1.67 0.97 1.12 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 37 V 9.65 4.64 2.26 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 0.97 0.00 0.00 1.07 0.00 0.00 38 V 9.13 4.55 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 0.87 0.00 0.00 1.04 0.00 0.00 39 E 9.65 4.68 0.00 1.98 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 2.24 2.30 0.00 40 P 0.00 4.47 0.00 2.05 2.15 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 41 P 0.00 5.65 0.00 2.10 2.28 0.00 3.82 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 2.07 1.84 0.00 42 R 8.42 5.34 0.00 1.86 1.89 0.00 3.08 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 43 A 9.11 5.16 1.21 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 44 Y 9.64 5.26 0.00 2.96 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 45 V 7.96 4.64 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 0.55 0.00 0.00 0.83 0.00 0.00 46 R 8.56 4.87 0.00 1.87 1.87 0.00 3.29 0.00 0.00 3.38 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 *48 T 8.06 3.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 49 L 7.78 4.68 0.00 2.02 1.45 1.04 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.00 3.32 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 0.36 0.00 0.00 51 T 6.96 4.62 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 1.16 0.00 0.00 52 P 0.00 3.46 0.00 1.83 1.93 0.00 3.74 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 1.83 1.89 0.00 53 G 6.49 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.71 4.51 0.00 3.05 2.94 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 0.00 0.00 0.00 55 P 0.00 4.66 0.00 2.30 2.05 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 56 L 8.46 4.08 0.00 1.68 1.79 0.93 0.97 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 57 H 7.86 4.79 0.00 2.99 3.15 0.00 5.92 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.32 4.57 0.00 2.77 2.47 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 59 S 7.59 3.94 0.00 3.83 3.85 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 0.00 0.00 0.00 60 L 7.80 3.93 0.00 1.65 1.54 0.83 0.86 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 61 G 8.20 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 0.00 0.00 0.00 62 E 8.32 3.89 0.00 2.09 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 2.32 2.36 0.00 63 A 8.36 4.01 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 64 V 7.87 3.50 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 0.87 0.00 0.00 0.86 0.00 0.00 65 R 7.87 3.83 0.00 2.02 2.04 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 66 Q 7.92 3.97 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 67 A 7.94 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.98 0.00 1.71 1.73 0.88 0.81 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 69 S 7.82 4.25 0.00 4.05 4.11 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 0.00 0.00 0.00 70 R 7.37 4.33 0.00 1.94 1.99 0.00 3.15 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 71 L 7.72 4.37 0.00 1.90 1.59 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.33 0.00 2.18 2.10 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 73 G 9.19 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.38 4.63 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 0.88 0.00 0.00 0.95 0.00 0.00 75 E 8.71 4.71 0.00 1.84 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 2.20 2.36 0.00 76 E 9.01 4.66 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 77 V 8.54 4.77 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 0.76 0.00 0.00 0.93 0.00 0.00 78 E 9.30 4.63 0.00 2.13 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 2.34 2.28 0.00 79 V 8.41 4.53 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 0.74 0.00 0.00 0.84 0.00 0.00 80 E 8.72 4.40 0.00 1.81 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 2.41 2.68 0.00 81 V 8.19 4.02 1.89 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 0.40 0.00 0.00 0.84 0.00 0.00 82 T 8.03 4.40 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 1.32 0.00 0.00 83 F 8.41 5.04 0.00 3.18 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 84 E 8.30 4.84 0.00 2.02 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 2.34 2.33 0.00 85 P 0.00 4.64 0.00 2.19 2.02 0.00 3.36 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 86 P 0.00 4.81 0.00 2.32 2.23 0.00 3.45 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 87 W 8.99 4.52 0.00 3.38 3.24 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 0.00 88 T 6.97 4.43 4.02 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 1.14 0.00 0.00 89 L 7.88 3.45 0.00 1.55 1.78 0.45 1.23 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 90 A 7.15 3.98 1.16 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 91 R 7.59 4.20 0.00 1.70 2.12 0.00 3.15 0.00 0.00 3.53 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 92 L 7.63 4.54 0.00 1.76 1.71 1.22 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.56 4.58 0.00 4.08 4.08 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 0.00 0.00 0.00 94 E 8.80 3.96 0.00 2.13 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 2.40 2.46 0.00 95 K 8.12 3.88 0.00 1.89 1.82 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.53 7.81 96 A 7.99 3.96 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 97 R 8.02 3.91 0.00 2.15 2.09 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 98 R 8.26 3.94 0.00 1.96 1.99 0.00 3.13 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 99 L 7.62 4.09 0.00 1.73 1.65 0.91 0.94 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 0.00 100 L 7.39 4.08 0.00 0.61 0.13 -0.26 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 101 G 7.41 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 0.00 0.00 0.00 102 W 8.26 4.66 0.00 3.36 2.95 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 * Residues marked with a * may have inaccurate shift predictions.