NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9675 8.0244 114.2677 60.6245 38.4257 175.4188 4 R 4.0968 7.5251 121.0394 52.8721 30.3710 173.2230 5 P 4.3470 0.0000 0.0000 62.6524 33.4759 176.7116 6 L 4.2112 8.2005 125.4214 54.1128 40.6163 172.2817 7 H 3.9894 8.3904 121.9353 55.6913 30.4724 175.8570 8 D 4.6907 9.0534 124.7105 55.6057 41.9576 174.1899 9 R 4.7097 7.3595 114.0124 56.1284 31.1833 175.9019 10 V 4.6080 9.0175 119.6471 61.3480 35.7885 173.9452 11 I 5.0857 8.8828 126.0898 59.7053 40.4993 175.0757 12 V 5.0472 8.6696 119.1168 59.3603 36.8048 174.3180 13 K 4.5750 8.6457 121.8974 55.8522 34.1432 176.3704 14 R 4.4242 7.9307 126.7223 56.6838 30.9145 176.2182 15 K 4.5633 8.5520 125.1844 54.4662 34.9058 175.4266 16 E 3.7833 8.8629 119.5653 57.2304 29.4390 177.6458 17 V 3.6855 8.4488 124.2052 64.1879 32.3051 175.8060 18 E 3.6296 9.1643 127.6513 56.9492 27.3976 174.9853 19 T 3.8526 7.5680 115.1606 63.6834 68.8318 175.6149 20 K 4.2641 8.8510 126.0992 57.7259 32.6246 178.8038 21 S 4.4699 7.9288 112.6930 58.0656 63.3056 175.0912 22 A 4.2281 8.1518 123.2561 53.3703 19.5414 178.3531 23 G 3.5742 8.0954 106.5196 46.3120 0.0000 174.5404 24 G 3.9453 5.3800 115.0982 45.8944 0.0000 175.3272 25 I 3.8157 9.2985 122.0670 63.9378 37.8710 176.7687 26 V 3.8103 7.5416 120.1567 62.1728 32.1078 174.2693 27 L 4.5317 8.3447 129.3014 55.1837 42.3354 175.7440 28 T 4.3920 8.6300 121.0795 61.2151 69.4383 174.8010 29 G 4.3489 8.3188 113.9509 45.4408 0.0000 172.4882 30 S 4.9967 8.8117 114.2850 56.3209 64.7399 174.0000 31 A 4.5420 9.0377 124.3830 51.5925 20.0573 175.8886 32 A 3.6943 8.6266 117.7792 53.8707 15.8837 179.7337 33 A 4.5259 8.0346 124.4248 52.6692 21.2774 176.2162 34 K 4.6738 8.5298 117.8081 56.3363 35.9746 180.6671 35 S 4.6641 8.7735 114.3776 57.4621 64.5054 173.1358 36 T 3.3084 8.4186 118.2617 62.9396 69.9821 174.1074 37 R 4.5103 7.7875 122.8551 55.5770 31.6968 175.8771 38 G 4.8581 8.9827 110.7691 45.2231 0.0000 170.9121 39 E 4.9243 8.6217 119.8123 54.8495 33.4743 175.0140 40 V 3.9204 9.0774 128.6161 63.2741 32.1090 176.2573 41 L 4.4545 8.7729 127.6389 56.4855 43.1677 176.7224 42 A 4.6133 7.5127 117.2812 50.8474 22.4596 175.4292 43 V 4.5670 8.2765 119.3846 60.9072 34.7775 175.7074 44 G 4.0225 8.1756 112.6467 45.3697 0.0000 174.0300 45 N 4.5280 8.7695 116.3525 54.2282 38.8948 174.6116 46 G 3.7630 7.8312 103.8483 43.7675 0.0000 171.6353 47 R 4.7499 8.6298 119.1433 54.5678 32.1591 177.2993 48 I 3.7243 8.5460 126.4586 64.1919 37.5745 176.8720 49 L 3.9436 7.5739 118.1902 56.5389 41.8214 176.4661 50 E 3.8220 8.6695 120.3321 56.5690 27.5827 175.8378 51 N 4.4344 8.4046 118.4954 53.9061 39.2089 174.2914 52 G 3.5847 8.3256 106.6688 46.5365 0.0000 175.5466 53 E 3.0262 9.0055 122.6930 54.5926 30.6140 177.4903 54 V 4.5958 8.3937 122.1943 62.3469 35.4078 172.6722 55 K 4.7296 8.9420 127.7146 54.6605 35.0834 174.3700 56 P 4.8973 0.0000 0.0000 62.6993 32.7025 175.0043 57 L 4.8070 8.2297 119.2269 53.2010 43.6228 176.5470 58 D 4.5214 9.1269 120.8269 55.3755 41.6145 177.2155 59 V 4.0432 7.5096 111.7066 61.3475 32.1864 174.8408 60 K 4.5881 7.9067 118.4432 55.2219 35.2028 175.5121 61 V 3.8135 8.1479 120.5752 64.3004 31.7258 176.2782 62 G 4.0361 8.5324 116.0485 45.1454 0.0000 173.4155 63 D 4.5898 7.6619 119.1052 53.8550 42.3033 176.3407 64 I 4.7578 7.9620 120.1835 61.2851 37.3899 176.6128 65 V 3.9183 8.0266 114.4622 62.0817 33.1788 175.5303 66 I 5.1575 8.8990 123.1499 59.6833 39.8478 174.9361 67 F 5.2770 8.6400 120.3948 55.0567 42.0341 173.6315 68 N 4.2832 9.2602 119.6926 53.0903 38.1300 174.8444 69 D 4.9762 8.2877 127.0480 53.7193 38.8275 175.3065 70 G 4.1578 7.6683 110.6363 44.3095 0.0000 169.8030 71 Y 3.9524 8.8053 119.3077 59.7878 39.0924 178.4049 72 G 3.6158 7.5548 107.6608 48.2792 0.0000 173.9569 73 V 3.4039 7.8800 120.3803 63.1421 31.7846 175.2808 74 K 4.5468 8.9028 127.4848 55.0838 34.9474 174.9519 75 S 5.1583 8.0575 114.7677 57.1552 66.0585 171.6358 76 E 4.5771 8.2943 122.0452 55.5127 33.5929 174.1587 77 K 4.8098 9.0000 123.8383 54.4448 31.5904 174.1538 78 I 4.1208 7.7583 123.6770 60.9676 38.6618 175.9840 79 D 4.4737 9.4774 122.2667 54.4796 38.5146 173.0089 80 N 4.1674 8.1731 114.3832 54.5608 37.1962 173.9655 81 E 4.2133 8.0991 115.6932 55.3922 30.3371 176.3010 82 E 4.3883 8.4816 119.3588 55.6382 30.6098 176.2004 83 V 4.3587 8.5541 120.1625 59.7354 33.2626 175.6859 84 L 4.4934 8.7075 127.1190 54.3878 43.1571 176.4060 85 I 4.7889 8.7903 124.9785 59.6897 39.3923 174.5139 86 M 4.8659 8.4239 125.2324 52.7425 35.0250 175.7141 87 S 4.6533 8.7366 113.5515 57.5182 64.1075 174.9279 88 E 3.8043 8.7249 122.3212 59.4992 29.4035 179.2715 89 S 4.2444 7.3117 111.7427 60.7692 63.0616 175.1655 90 D 4.5166 7.9755 120.6286 56.3906 40.8879 176.2061 91 I 4.3856 7.7852 121.0431 60.6356 37.8603 175.4152 92 L 4.3351 8.8051 125.7311 56.3642 42.6542 176.6234 93 A 4.4284 7.3040 117.7442 51.8259 21.7448 175.2655 94 I 4.2861 8.0879 123.1004 60.2480 40.0313 177.3563 *95 V 3.9215 8.2282 117.8176 61.8323 32.1549 171.0352 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 I 8.02 3.97 1.85 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 1.28 1.11 0.89 0.00 0.00 4 R 7.53 4.10 0.00 1.84 1.89 0.00 3.27 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 5 P 0.00 4.35 0.00 2.24 1.99 0.00 3.79 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 2.04 1.91 0.00 6 L 8.20 4.21 0.00 1.58 1.56 0.93 1.03 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 7 H 8.39 3.99 0.00 3.58 3.36 0.00 5.91 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.05 4.69 0.00 2.96 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 9 R 7.36 4.71 0.00 1.84 2.08 0.00 3.05 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 10 V 9.02 4.61 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 0.94 0.00 0.00 0.90 0.00 0.00 11 I 8.88 5.09 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 0.89 0.00 0.00 12 V 8.67 5.05 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 0.61 0.00 0.00 0.61 0.00 0.00 13 K 8.65 4.57 0.00 1.84 1.93 0.00 1.31 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.39 7.81 14 R 7.93 4.42 0.00 2.01 1.94 0.00 3.32 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 15 K 8.55 4.56 0.00 1.84 1.78 0.00 1.90 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.46 7.81 16 E 8.86 3.78 0.00 1.95 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 2.34 2.29 0.00 17 V 8.45 3.69 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 0.80 0.00 0.00 0.95 0.00 0.00 18 E 9.16 3.63 0.00 2.14 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 2.24 2.25 0.00 19 T 7.57 3.85 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 1.21 0.00 0.00 20 K 8.85 4.26 0.00 1.86 1.90 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.23 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.58 7.81 21 S 7.93 4.47 0.00 3.99 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 22 A 8.15 4.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 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 24 G 5.38 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 25 I 9.30 3.82 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 1.30 0.57 0.91 0.00 0.00 26 V 7.54 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 0.95 0.00 0.00 0.93 0.00 0.00 27 L 8.34 4.53 0.00 1.70 1.55 0.92 0.93 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 28 T 8.63 4.39 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 1.25 0.00 0.00 29 G 8.32 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.81 5.00 0.00 3.85 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 31 A 9.04 4.54 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 32 A 8.63 3.69 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 33 A 8.03 4.53 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 34 K 8.53 4.67 0.00 1.84 0.87 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.52 7.81 35 S 8.77 4.66 0.00 3.87 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 36 T 8.42 3.31 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 1.03 0.00 0.00 37 R 7.79 4.51 0.00 1.82 1.90 0.00 3.02 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 38 G 8.98 4.86 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 39 E 8.62 4.92 0.00 2.07 1.77 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 2.22 2.27 0.00 40 V 9.08 3.92 2.24 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 0.93 0.00 0.00 1.01 0.00 0.00 41 L 8.77 4.45 0.00 1.64 1.67 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.51 4.61 1.17 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 43 V 8.28 4.57 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 0.82 0.00 0.00 0.89 0.00 0.00 44 G 8.18 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 0.00 0.00 0.00 0.00 45 N 8.77 4.53 0.00 2.75 2.89 0.00 0.00 7.08 7.65 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 46 G 7.83 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 47 R 8.63 4.75 0.00 1.79 1.87 0.00 3.09 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 48 I 8.55 3.72 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.92 0.00 0.00 49 L 7.57 3.94 0.00 1.63 1.62 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.67 3.82 0.00 2.04 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 2.14 2.32 0.00 51 N 8.40 4.43 0.00 2.87 2.92 0.00 0.00 7.16 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 52 G 8.33 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.01 3.03 0.00 2.02 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 2.26 2.35 0.00 54 V 8.39 4.60 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 0.91 0.00 0.00 55 K 8.94 4.73 0.00 1.81 1.90 0.00 1.46 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.51 7.81 56 P 0.00 4.90 0.00 2.10 2.11 0.00 3.73 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 1.98 1.99 0.00 57 L 8.23 4.81 0.00 1.63 1.73 0.91 1.06 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 58 D 9.13 4.52 0.00 2.60 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 59 V 7.51 4.04 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 0.79 0.00 0.00 0.92 0.00 0.00 60 K 7.91 4.59 0.00 1.87 1.84 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.51 7.81 61 V 8.15 3.81 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 0.84 0.00 0.00 0.92 0.00 0.00 62 G 8.53 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 63 D 7.66 4.59 0.00 2.82 2.61 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 64 I 7.96 4.76 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 1.36 0.53 1.00 0.00 0.00 65 V 8.03 3.92 2.15 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 0.76 0.00 0.00 1.00 0.00 0.00 66 I 8.90 5.16 1.98 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 1.28 0.88 0.88 0.00 0.00 67 F 8.64 5.28 0.00 3.24 3.08 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 68 N 9.26 4.28 0.00 2.74 2.99 0.00 0.00 7.10 8.11 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 69 D 8.29 4.98 0.00 2.36 2.51 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 70 G 7.67 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 71 Y 8.81 3.95 0.00 2.94 3.06 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 72 G 7.55 3.62 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 0.00 0.00 0.00 73 V 7.88 3.40 2.27 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 0.72 0.00 0.00 1.14 0.00 0.00 74 K 8.90 4.55 0.00 1.68 1.65 0.00 1.52 0.00 0.00 1.33 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.45 1.40 7.81 75 S 8.06 5.16 0.00 3.82 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 76 E 8.29 4.58 0.00 1.94 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 0.00 2.15 2.33 0.00 77 K 9.00 4.81 0.00 1.68 1.65 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.42 7.81 78 I 7.76 4.12 1.86 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 1.40 0.33 0.90 0.00 0.00 79 D 9.48 4.47 0.00 2.93 2.74 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 80 N 8.17 4.17 0.00 2.84 2.87 0.00 0.00 7.16 7.65 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 81 E 8.10 4.21 0.00 2.14 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 2.34 2.32 0.00 82 E 8.48 4.39 0.00 1.90 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 2.36 2.29 0.00 83 V 8.55 4.36 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 0.96 0.00 0.00 0.94 0.00 0.00 84 L 8.71 4.49 0.00 1.64 1.34 0.92 0.69 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 85 I 8.79 4.79 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 0.85 0.00 0.00 86 M 8.42 4.87 0.00 1.86 2.23 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 87 S 8.74 4.65 0.00 4.19 3.99 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 88 E 8.72 3.80 0.00 2.03 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 2.31 2.29 0.00 89 S 7.31 4.24 0.00 3.96 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 90 D 7.98 4.52 0.00 2.80 2.82 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 91 I 7.79 4.39 2.01 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 1.33 0.62 1.02 0.00 0.00 92 L 8.81 4.34 0.00 1.73 1.72 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.30 4.43 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 94 I 8.09 4.29 1.88 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 1.29 0.70 0.98 0.00 0.00 *95 V 8.23 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.