NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.7021 8.4444 117.3758 54.4275 30.5264 173.3963 1 M 4.0663 7.9278 119.2029 54.2897 32.7607 173.7317 2 A 4.7595 9.1604 129.7826 50.8892 22.3897 175.4488 3 V 4.5328 8.6584 112.5637 58.9732 34.8053 177.2130 4 I 3.7595 8.3348 120.6762 64.6178 37.2125 177.6033 5 D 4.4013 8.2191 119.2769 57.4032 40.3825 178.3401 6 D 4.4479 7.9169 118.5392 57.4535 41.2217 178.3290 7 F 4.3023 8.2397 120.6078 61.3154 39.2997 176.7598 8 E 4.0169 8.4345 117.0503 58.6700 29.2738 179.0288 9 K 4.0439 7.5181 116.6609 57.5734 32.4634 177.0528 10 L 4.2462 6.9326 119.0116 53.4904 42.8318 175.7370 11 D 4.5660 9.0559 123.4117 52.9041 42.4930 174.5747 12 I 4.8392 7.8886 127.1294 59.5768 39.7392 175.2151 13 R 5.2648 8.8308 125.1206 54.5977 34.8737 174.4987 14 T 4.9651 9.0172 112.6341 61.5405 70.9099 173.8713 15 G 3.8361 8.7467 109.7768 45.5105 0.0000 171.1360 16 T 5.0491 8.0759 116.3845 61.2213 71.3596 174.2429 17 I 4.1498 8.5968 127.9616 61.8946 37.4807 176.8514 18 V 4.3359 8.6432 120.3728 61.3078 33.4173 176.0480 19 K 4.7156 7.7736 120.6069 55.1560 35.7341 174.3445 20 A 5.1455 8.3121 126.6878 50.9523 22.2894 175.3212 21 E 4.7450 9.0416 120.6228 54.2893 34.4172 175.0395 22 E 4.2526 8.9290 122.1000 56.8853 30.4529 176.9642 23 F 5.1608 8.5538 124.8651 55.9191 38.8130 173.6387 24 P 4.4192 0.0000 0.0000 64.1019 31.9897 178.2037 25 E 4.0423 8.0926 117.2288 57.6679 29.9208 176.8714 26 A 3.6776 6.3847 122.1118 51.4125 19.0131 177.7010 27 R 3.8686 8.4416 121.6828 58.8969 30.4424 177.1143 28 V 4.1349 7.3268 116.2231 60.2524 32.3684 173.3851 29 P 4.1178 0.0000 0.0000 63.6279 31.7689 174.7943 30 A 4.7715 8.1228 121.7714 51.1948 23.1721 174.5940 31 I 4.8138 8.6284 119.3797 59.3962 41.0523 175.4429 32 K 4.1583 9.0176 127.0385 56.0003 33.0117 176.0093 33 L 5.2555 9.2520 125.5511 52.8799 45.0015 175.5739 34 V 4.8916 8.6729 121.9478 61.2351 34.5319 174.3625 35 I 4.7846 8.7219 127.8357 59.4733 41.3094 173.8914 36 D 4.7852 8.8309 127.4048 53.0615 41.9207 175.8379 37 F 4.6329 9.0324 125.2850 57.2093 40.3868 177.4321 38 G 3.9973 8.7072 106.8679 45.3747 0.0000 175.0694 39 T 4.1991 8.1603 107.5890 63.1069 69.4052 175.7660 40 E 4.0873 8.1971 122.9242 58.7908 30.0950 177.3029 41 I 3.9281 7.7407 117.9843 62.8057 38.3192 174.9636 42 G 3.8162 8.4777 105.3536 43.9671 0.0000 170.9938 43 I 5.0077 8.0850 118.8864 59.5695 38.9983 175.7401 44 K 4.9536 9.4263 125.8756 54.7617 36.3120 175.3923 45 Q 5.0307 9.4148 122.5076 55.2030 31.0042 174.8113 46 S 5.0235 9.2060 116.1042 56.9464 66.5925 172.5933 47 S 5.1373 9.2934 121.7922 57.0484 63.2390 173.0130 48 A 4.6627 8.9103 130.0576 49.6824 21.1546 176.6598 49 Q 4.8730 8.8073 124.4377 55.1250 26.8298 176.0762 50 I 4.7011 7.4035 109.4460 60.7389 38.6383 178.3101 51 T 4.2985 8.0928 111.4498 64.0075 69.2674 175.5257 52 K 4.0838 8.2610 123.3709 58.9296 32.2875 177.2786 53 R 4.3919 7.9174 113.6233 55.7240 31.8541 175.0277 54 Y 4.8866 7.5737 114.2979 55.8720 41.5759 174.9272 55 K 4.7894 8.2836 120.2666 53.8091 36.0841 175.4944 56 P 4.2734 0.0000 0.0000 66.0643 31.3086 178.6568 57 E 4.0623 8.2789 115.2225 58.3457 29.4589 177.6334 58 G 4.0341 7.9975 106.3482 45.3672 0.0000 174.1723 59 L 4.4751 7.8388 119.9630 55.1092 42.9340 176.9162 60 I 3.9139 7.4990 119.5320 62.5225 37.4362 175.8781 61 N 4.4500 9.3665 121.1895 53.2410 36.9261 174.5454 62 K 4.2593 7.5661 119.3410 56.1537 33.4163 176.2791 63 Q 4.6273 8.6235 124.0516 55.8771 29.5921 175.6223 64 V 4.7518 9.0296 116.7171 59.5375 36.5542 174.2702 65 I 5.1605 8.2198 120.8945 59.7530 40.1411 174.9525 66 A 5.1489 8.9068 127.2690 50.4139 23.5296 175.0217 67 V 3.9216 8.4990 120.7849 62.5473 32.2945 176.7695 68 V 4.0904 8.4521 120.9452 60.3392 32.5423 175.9745 69 N 4.8848 7.4198 117.9331 52.3704 37.6946 174.4233 70 F 5.0861 7.8077 116.2488 56.4889 40.7043 174.2787 71 P 4.4361 0.0000 0.0000 62.0349 31.7081 174.7176 72 P 4.7754 0.0000 0.0000 62.8098 32.7571 175.3017 73 R 4.6278 8.8322 120.4393 54.6810 32.9225 174.1299 74 R 5.0692 8.7240 125.3302 55.1508 31.9263 176.0455 75 I 4.4269 8.6476 123.5951 60.4068 39.8388 175.3215 76 A 3.5958 10.1427 127.6950 52.9942 16.1257 176.8776 77 G 4.1498 8.6261 108.7413 47.0657 0.0000 174.9678 78 F 4.0355 8.3209 122.8581 57.7783 39.6371 173.9627 79 K 4.3488 7.7659 129.7744 55.1503 31.6681 175.4750 80 S 4.5316 9.0273 123.6314 57.9327 62.7266 174.0270 81 E 4.5664 9.2735 127.0915 56.7986 30.8056 176.6239 82 V 4.6266 7.7002 110.7810 59.4873 36.3665 174.7447 83 L 4.5904 8.4204 125.4607 53.5623 43.3284 175.5123 84 V 4.3923 8.4046 127.5373 62.5889 32.2496 175.4199 85 L 4.5738 9.4245 128.7617 54.4764 43.2547 176.0373 86 G 4.4106 8.3437 107.4717 44.9828 0.0000 172.9041 87 G 3.9203 9.3333 108.9917 46.1633 0.0000 173.0064 88 I 4.9512 8.2190 123.5470 58.4801 37.6659 174.3212 89 P 4.2245 0.0000 0.0000 63.6170 32.1363 176.7721 90 G 3.8769 7.1445 108.1228 45.0036 0.0000 172.1236 91 Q 4.0501 8.7611 120.6717 57.4886 29.0341 176.5200 92 G 3.9160 8.9143 112.2778 45.8399 0.0000 172.0260 93 D 5.0640 7.8497 118.9158 52.3411 43.1863 175.8294 94 V 4.7320 8.3191 123.7788 61.3152 35.1577 174.1508 95 V 4.5498 8.8439 127.9578 60.8462 33.3601 174.8336 96 L 4.4149 9.0830 129.0715 55.1388 42.0882 177.3285 97 L 4.6676 8.2036 122.3279 54.4435 42.8257 176.2784 98 Q 4.7172 8.2746 117.8931 53.8815 30.2552 172.7257 99 P 4.4372 0.0000 0.0000 62.7816 31.9118 176.8681 100 D 4.2094 8.5896 119.3143 54.7616 39.7939 175.5849 101 Q 4.5996 7.2812 116.7459 53.9669 31.7529 172.5761 102 P 4.3937 0.0000 0.0000 62.8813 31.8743 176.4793 103 V 4.5852 7.9849 113.9894 58.5277 35.8593 173.7783 104 P 4.3775 0.0000 0.0000 62.4112 31.8075 176.0435 105 N 4.4166 8.5162 119.1461 55.2055 38.8106 175.5901 106 G 4.1084 9.4290 111.0834 46.4713 0.0000 173.5252 107 T 4.0069 7.6665 117.3447 63.4330 69.2173 173.9581 108 K 4.6204 8.7225 127.7712 56.4383 33.3213 175.6993 109 I 4.5171 8.2556 126.7428 59.8403 39.0299 176.2537 110 G 3.9766 8.5059 113.9386 46.3637 0.0000 172.9278 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 *0 H 8.44 4.70 0.00 2.95 3.05 0.00 7.16 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.93 4.07 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 2 A 9.16 4.76 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 3 V 8.66 4.53 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 0.75 0.00 0.00 1.08 0.00 0.00 4 I 8.33 3.76 1.89 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 1.68 1.64 0.94 0.00 0.00 5 D 8.22 4.40 0.00 2.75 2.73 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 0.00 6 D 7.92 4.45 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.24 4.30 0.00 3.13 3.22 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 8 E 8.43 4.02 0.00 2.01 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 2.44 2.65 0.00 9 K 7.52 4.04 0.00 1.93 1.86 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.72 7.81 10 L 6.93 4.25 0.00 1.31 1.28 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.06 4.57 0.00 2.50 2.34 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 12 I 7.89 4.84 1.79 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 1.16 0.23 0.95 0.00 0.00 13 R 8.83 5.26 0.00 1.55 1.86 0.00 3.36 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 1.48 1.54 0.00 14 T 9.02 4.97 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 1.29 0.00 0.00 15 G 8.75 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 16 T 8.08 5.05 4.14 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 I 8.60 4.15 1.98 0.00 0.00 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 1.15 0.68 0.90 0.00 0.00 18 V 8.64 4.34 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 0.64 0.00 0.00 0.95 0.00 0.00 19 K 7.77 4.72 0.00 1.78 1.58 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.44 7.81 20 A 8.31 5.15 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 21 E 9.04 4.74 0.00 1.81 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 2.20 2.26 0.00 22 E 8.93 4.25 0.00 1.87 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 2.28 0.00 23 F 8.55 5.16 0.00 2.79 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 24 P 0.00 4.42 0.00 2.23 2.18 0.00 3.99 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 2.04 2.02 0.00 25 E 8.09 4.04 0.00 2.06 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 2.39 2.40 0.00 26 A 6.38 3.68 0.65 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 0.00 0.00 27 R 8.44 3.87 0.00 1.72 1.90 0.00 3.20 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 28 V 7.33 4.13 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 0.86 0.00 0.00 0.91 0.00 0.00 29 P 0.00 4.12 0.00 2.21 1.98 0.00 3.65 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 2.11 2.09 0.00 30 A 8.12 4.77 1.23 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 0.00 0.00 0.00 31 I 8.63 4.81 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.98 0.00 0.00 32 K 9.02 4.16 0.00 1.38 1.37 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 0.41 7.81 33 L 9.25 5.26 0.00 1.57 1.54 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.67 4.89 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 1.07 0.00 0.00 0.97 0.00 0.00 35 I 8.72 4.78 1.64 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.45 0.05 0.00 0.00 36 D 8.83 4.79 0.00 2.62 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 37 F 9.03 4.63 0.00 3.17 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 38 G 8.71 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 39 T 8.16 4.20 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 40 E 8.20 4.09 0.00 1.95 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 2.27 2.31 0.00 41 I 7.74 3.93 2.11 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 1.21 0.47 0.73 0.00 0.00 42 G 8.48 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 43 I 8.09 5.01 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 1.36 0.95 0.96 0.00 0.00 44 K 9.43 4.95 0.00 1.99 1.76 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.50 7.81 45 Q 9.41 5.03 0.00 1.82 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 46 S 9.21 5.02 0.00 3.98 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 47 S 9.29 5.14 0.00 4.17 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 48 A 8.91 4.66 1.23 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 0.00 0.00 0.00 49 Q 8.81 4.87 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.38 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 50 I 7.40 4.70 1.96 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.01 0.90 0.00 0.00 51 T 8.09 4.30 4.27 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 1.24 0.00 0.00 52 K 8.26 4.08 0.00 1.76 1.90 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.46 7.81 53 R 7.92 4.39 0.00 1.04 1.43 0.00 3.19 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 54 Y 7.57 4.89 0.00 3.10 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 55 K 8.28 4.79 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.43 7.81 56 P 0.00 4.27 0.00 2.18 2.24 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 57 E 8.28 4.06 0.00 1.95 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 2.32 2.38 0.00 58 G 8.00 4.03 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 0.00 0.00 0.00 59 L 7.84 4.48 0.00 1.83 1.66 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.50 3.91 1.87 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 0.32 0.90 0.00 0.00 61 N 9.37 4.45 0.00 2.84 2.99 0.00 0.00 7.05 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 62 K 7.57 4.26 0.00 1.75 1.68 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.43 7.81 63 Q 8.62 4.63 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 64 V 9.03 4.75 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 0.66 0.00 0.00 0.90 0.00 0.00 65 I 8.22 5.16 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.24 0.96 0.00 0.00 66 A 8.91 5.15 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 67 V 8.50 3.92 1.47 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 -0.30 0.00 0.00 0.77 0.00 0.00 68 V 8.45 4.09 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 -0.19 0.00 0.00 0.73 0.00 0.00 69 N 7.42 4.88 0.00 2.68 2.69 0.00 0.00 6.10 7.43 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 70 F 7.81 5.09 0.00 2.97 2.86 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 71 P 0.00 4.44 0.00 2.03 1.99 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 72 P 0.00 4.78 0.00 2.06 2.04 0.00 3.71 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 1.98 1.95 0.00 73 R 8.83 4.63 0.00 1.89 1.83 0.00 3.11 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 74 R 8.72 5.07 0.00 1.77 1.89 0.00 3.21 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 75 I 8.65 4.43 2.25 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.91 0.86 0.00 0.00 76 A 10.14 3.60 1.47 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 0.00 0.00 77 G 8.63 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 0.00 0.00 0.00 0.00 78 F 8.32 4.04 0.00 2.98 3.18 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 0.00 0.00 0.00 0.00 79 K 7.77 4.35 0.00 1.60 1.45 0.00 1.74 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.35 7.81 80 S 9.03 4.53 0.00 4.26 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 81 E 9.27 4.57 0.00 1.94 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 2.35 0.00 82 V 7.70 4.63 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 0.48 0.00 0.00 1.21 0.00 0.00 83 L 8.42 4.59 0.00 2.11 1.72 1.03 1.11 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 84 V 8.40 4.39 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 0.84 0.00 0.00 1.02 0.00 0.00 85 L 9.42 4.57 0.00 1.64 1.60 0.96 0.92 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 86 G 8.34 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.33 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 0.00 0.00 0.00 88 I 8.22 4.95 1.90 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 1.44 1.01 0.98 0.00 0.00 89 P 0.00 4.22 0.00 2.17 2.19 0.00 3.66 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 2.17 2.10 0.00 90 G 7.14 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.76 4.05 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.14 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 92 G 8.91 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 0.00 0.00 0.00 93 D 7.85 5.06 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 4.73 2.20 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 0.90 0.00 0.00 1.06 0.00 0.00 95 V 8.84 4.55 2.14 0.00 0.00 0.00 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 0.97 0.00 0.00 96 L 9.08 4.41 0.00 1.55 1.54 0.28 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.20 4.67 0.00 1.55 1.62 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.27 4.72 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 99 P 0.00 4.44 0.00 2.50 2.23 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 100 D 8.59 4.21 0.00 2.82 2.84 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 0.00 101 Q 7.28 4.60 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 102 P 0.00 4.39 0.00 2.06 2.02 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 2.11 0.00 103 V 7.98 4.59 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 0.76 0.00 0.00 0.94 0.00 0.00 104 P 0.00 4.38 0.00 2.18 1.97 0.00 3.61 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 2.12 2.11 0.00 105 N 8.52 4.42 0.00 2.70 2.83 0.00 0.00 7.15 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 0.00 106 G 9.43 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 0.00 0.00 0.00 107 T 7.67 4.01 4.27 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 1.23 0.00 0.00 108 K 8.72 4.62 0.00 1.74 1.71 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.53 7.81 109 I 8.26 4.52 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 1.08 0.00 0.00 110 G 8.51 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 * Residues marked with a * may have inaccurate shift predictions.