NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3288 8.2544 119.0724 56.3274 29.9448 173.7708 6 S 4.3033 7.9645 116.7416 56.1110 65.2111 172.6499 7 I 3.9233 8.7502 131.1539 60.7606 38.4464 174.9082 8 A 4.1809 8.4296 128.7986 51.5263 19.2152 176.9413 9 I 4.1279 8.1147 124.1403 60.1787 36.7870 175.3820 10 D 4.5214 8.7028 126.4694 56.6204 41.4907 176.6781 11 S 4.6938 7.5942 110.4729 56.9705 65.7290 172.5648 12 Y 4.7165 8.4544 122.8525 55.9148 40.8732 174.0871 13 Q 4.2128 8.3541 128.4832 54.2467 30.0598 174.4527 14 E 3.7860 8.2046 126.8041 58.2076 30.2421 176.5962 15 D 4.5610 7.6000 117.1372 52.8022 41.6744 174.2425 16 P 4.3168 0.0000 0.0000 63.1342 31.2691 175.2584 17 S 4.4114 7.9147 116.0772 58.2066 65.4897 174.4330 18 V 4.3031 7.3507 115.4683 58.6935 33.7878 175.6216 19 V 4.2463 7.8494 120.0129 61.0612 34.1460 174.9175 20 V 4.0504 8.2947 126.5581 61.3629 31.8363 174.6810 21 S 4.3557 8.2616 122.0386 56.5288 63.6541 172.7437 22 N 4.8617 8.1003 124.3950 51.9776 41.7045 173.2109 23 F 4.6174 8.9947 124.8617 57.3129 38.1263 178.4852 24 F 5.0972 8.3183 122.4466 55.1687 41.3384 174.3103 25 K 3.9869 8.7156 121.4456 58.1227 32.0815 177.6218 26 G 3.9948 8.9825 112.0150 45.0735 0.0000 173.5849 27 V 3.1671 6.8117 119.1661 61.4343 31.5143 175.9559 28 R 4.3621 8.2195 121.0800 54.3815 32.6687 174.7125 29 V 4.2003 8.1046 122.9580 59.9671 33.1801 173.5655 30 P 4.3670 0.0000 0.0000 62.3897 31.8373 177.2803 31 K 3.8541 8.8736 122.0733 60.0583 32.0521 177.3149 32 D 4.7038 8.0086 115.3692 54.7073 40.6056 175.6755 33 T 4.2459 7.7057 117.3924 62.4208 69.2630 174.0431 34 E 4.7048 8.4308 125.8283 54.5579 31.4836 175.3376 35 F 5.0193 8.7332 121.0139 55.7153 42.1968 174.6596 36 Q 4.6092 8.6044 120.5646 53.9581 31.9854 174.6853 37 L 4.7217 8.0444 122.2589 53.3282 44.1940 175.2311 38 Y 4.7426 8.4528 122.0844 55.9737 41.2550 174.5691 39 K 4.6011 8.5064 124.7598 53.9919 34.4929 175.4645 40 K 4.0786 8.4920 126.9462 55.9380 32.7227 176.5098 41 R 4.0245 8.6728 125.7442 56.3263 30.0954 176.0151 42 K 4.6703 8.4688 122.0553 54.8778 35.1147 175.4734 43 Q 4.6036 8.3610 118.7200 54.2573 31.1447 175.5268 44 D 4.5805 8.7054 122.6975 53.7960 41.9598 175.5257 45 Q 4.7436 8.0027 119.5382 54.2840 31.0968 175.1664 46 F 5.0653 8.6530 119.4992 55.7058 43.7906 173.8029 47 V 4.7881 8.5657 119.4738 61.0884 34.2777 174.2333 48 L 4.8596 9.4230 129.5353 53.5089 44.6726 174.3896 49 H 5.4015 8.9881 125.1982 54.4552 32.9304 172.4568 50 G 4.3474 9.1892 111.6055 44.6869 0.0000 171.1030 51 E 5.3705 8.7139 119.7104 54.4749 34.1023 174.3687 52 N 5.1735 9.4643 120.8527 51.1303 42.5368 174.8361 53 E 3.9959 8.9906 119.6396 59.0925 29.6724 177.7282 54 R 4.4151 8.2213 118.5811 56.7516 32.4639 175.9874 55 L 5.0946 7.4241 116.6208 52.8197 45.6393 175.2750 56 E 5.0741 8.7714 119.2078 54.8244 33.1684 174.9542 57 Y 5.1324 9.1693 121.0972 56.3372 41.4345 174.5126 58 D 5.2954 9.2104 123.5267 52.8036 45.3436 174.8673 59 G 4.6433 9.5869 109.6733 44.9996 0.0000 170.9159 60 E 5.4201 8.6533 117.9856 54.6955 33.7137 174.6817 61 T 4.6482 8.2813 110.8327 61.4190 70.5399 173.9220 62 D 4.7000 8.5428 121.6656 53.1973 41.8709 176.5781 63 E 3.9095 8.9554 127.5373 59.6379 29.6493 179.4464 64 L 4.0578 8.0122 119.5188 58.4708 42.2820 178.7861 65 T 3.9331 8.3831 115.7258 67.0569 68.1806 176.4234 66 T 3.9589 7.7302 116.4610 66.9489 68.5780 176.3190 67 K 4.1765 7.5013 117.9277 58.9280 32.1956 178.9174 68 T 4.3129 7.5755 114.5845 64.1124 69.3299 174.6357 69 N 5.0713 8.1967 115.6850 51.1107 42.4954 173.5144 70 Q 4.6479 8.2022 116.9035 54.6689 31.5374 174.5823 71 Y 4.6697 8.1716 117.8373 56.2945 41.9420 173.8279 *73 V 4.2170 8.1727 118.3563 63.4391 32.8537 175.2425 74 G 4.5883 8.8577 113.8635 44.4194 0.0000 172.1931 75 L 4.8187 8.8912 123.0175 53.1446 43.5856 174.6238 76 Y 5.1602 8.6430 125.4058 56.0537 40.7248 174.4680 77 D 4.4378 8.3612 126.7640 52.4176 42.0098 176.5760 78 K 3.4938 8.5393 126.1972 59.6613 32.2451 178.5504 79 Q 4.0222 7.9315 117.7062 59.1662 29.1396 177.4087 80 S 4.1660 8.3966 111.5322 58.9079 63.4783 174.1683 81 G 3.8719 8.0089 109.2201 46.8580 0.0000 173.3440 82 K 4.7831 7.7221 117.1713 54.0956 35.7728 175.4827 83 I 5.1556 8.4626 122.7849 59.3176 41.4582 174.1993 84 N 4.9131 9.0252 125.0840 51.6234 40.8323 173.5060 85 L 5.1200 8.2779 123.9157 53.5929 43.7554 176.0841 86 Y 4.6415 8.6910 119.7684 56.0316 41.1941 175.3162 87 R 4.3823 8.8973 125.4545 56.4641 30.9450 175.5250 88 A 4.8445 8.7470 127.3013 49.4467 22.2061 174.2113 89 P 4.3010 0.0000 0.0000 62.5238 32.2531 176.1355 90 V 3.9872 8.1049 120.5204 61.4718 32.4313 174.5970 91 V 4.5860 8.1981 128.5589 61.3510 33.2463 174.7327 92 T 4.4966 8.6047 118.6381 60.6175 70.1083 174.0155 93 S 5.1175 8.6718 121.7156 56.5333 66.8563 173.0536 94 K 4.6947 9.1129 120.7976 54.7450 35.8183 175.1546 95 I 4.7638 8.2775 123.2097 59.5115 39.5037 175.2015 96 V 4.4680 8.2872 126.2803 60.7881 34.4117 175.1733 97 S 4.5523 8.6746 122.2154 58.1008 64.2640 174.2366 98 K 4.2270 8.0909 119.4194 56.7535 31.5498 176.9359 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 5 R 8.25 4.33 0.00 1.85 1.85 0.00 3.27 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 6 S 7.96 4.30 0.00 3.85 3.72 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 7 I 8.75 3.92 1.86 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 1.34 0.91 0.91 0.00 0.00 8 A 8.43 4.18 1.24 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 0.00 0.00 9 I 8.11 4.13 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.59 0.93 0.00 0.00 10 D 8.70 4.52 0.00 2.63 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 11 S 7.59 4.69 0.00 3.98 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.45 4.72 0.00 2.81 2.87 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 13 Q 8.35 4.21 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 14 E 8.20 3.79 0.00 1.69 1.82 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 2.24 2.21 0.00 15 D 7.60 4.56 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.00 1.96 0.00 3.59 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 2.06 0.00 17 S 7.91 4.41 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 18 V 7.35 4.30 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 0.69 0.00 0.00 0.91 0.00 0.00 19 V 7.85 4.25 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 0.71 0.00 0.00 0.88 0.00 0.00 20 V 8.29 4.05 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 0.80 0.00 0.00 0.90 0.00 0.00 21 S 8.26 4.36 0.00 3.61 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 4.86 0.00 2.57 2.55 0.00 0.00 6.96 7.02 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 23 F 8.99 4.62 0.00 2.71 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 0.00 0.00 0.00 0.00 24 F 8.32 5.10 0.00 3.25 3.16 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 25 K 8.72 3.99 0.00 1.86 1.86 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.51 7.81 26 G 8.98 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 0.00 0.00 0.00 27 V 6.81 3.17 0.80 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 0.53 0.00 0.00 0.06 0.00 0.00 28 R 8.22 4.36 0.00 1.75 1.82 0.00 3.17 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 29 V 8.10 4.20 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 0.98 0.00 0.00 0.59 0.00 0.00 30 P 0.00 4.37 0.00 2.20 1.95 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 31 K 8.87 3.85 0.00 1.74 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.50 7.81 32 D 8.01 4.70 0.00 2.66 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 33 T 7.71 4.25 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 0.69 0.00 0.00 34 E 8.43 4.70 0.00 1.89 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 2.24 2.29 0.00 35 F 8.73 5.02 0.00 2.96 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 36 Q 8.60 4.61 0.00 2.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 37 L 8.04 4.72 0.00 1.50 1.42 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.45 4.74 0.00 2.94 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 39 K 8.51 4.60 0.00 1.70 1.69 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.40 7.81 40 K 8.49 4.08 0.00 1.77 1.71 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 R 8.67 4.02 0.00 1.86 1.90 0.00 3.24 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 42 K 8.47 4.67 0.00 1.83 1.77 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.43 7.81 43 Q 8.36 4.60 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 44 D 8.71 4.58 0.00 2.60 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 0.00 0.00 0.00 45 Q 8.00 4.74 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 46 F 8.65 5.07 0.00 2.81 2.88 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 47 V 8.57 4.79 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 0.83 0.00 0.00 0.97 0.00 0.00 48 L 9.42 4.86 0.00 1.74 1.49 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.99 5.40 0.00 3.16 3.17 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.19 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 51 E 8.71 5.37 0.00 1.85 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 2.25 2.34 0.00 52 N 9.46 5.17 0.00 2.93 2.91 0.00 0.00 6.90 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 53 E 8.99 4.00 0.00 2.12 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 2.31 2.34 0.00 54 R 8.22 4.42 0.00 1.89 1.93 0.00 3.03 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 55 L 7.42 5.09 0.00 1.33 1.08 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.77 5.07 0.00 1.94 1.75 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 2.24 2.24 0.00 57 Y 9.17 5.13 0.00 2.72 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 58 D 9.21 5.30 0.00 2.66 2.55 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 59 G 9.59 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.65 5.42 0.00 2.00 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 0.00 2.21 2.28 0.00 61 T 8.28 4.65 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 1.45 0.00 0.00 62 D 8.54 4.70 0.00 2.76 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 63 E 8.96 3.91 0.00 2.07 2.03 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 2.43 2.44 0.00 64 L 8.01 4.06 0.00 1.77 1.86 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.38 3.93 4.44 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 1.45 0.00 0.00 66 T 7.73 3.96 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 1.34 0.00 0.00 67 K 7.50 4.18 0.00 2.02 1.87 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 68 T 7.58 4.31 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 1.20 0.00 0.00 69 N 8.20 5.07 0.00 2.42 2.30 0.00 0.00 6.86 7.91 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 70 Q 8.20 4.65 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 71 Y 8.17 4.67 0.00 3.13 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 *73 V 8.17 4.22 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 0.96 0.00 0.00 0.95 0.00 0.00 74 G 8.86 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.82 0.00 1.76 1.69 0.97 0.56 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 76 Y 8.64 5.16 0.00 2.89 2.87 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 77 D 8.36 4.44 0.00 2.59 2.32 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 78 K 8.54 3.49 0.00 1.70 1.86 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.46 7.81 79 Q 7.93 4.02 0.00 1.94 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.12 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 80 S 8.40 4.17 0.00 3.98 3.93 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 0.00 0.00 0.00 81 G 8.01 3.87 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 0.00 82 K 7.72 4.78 0.00 1.65 1.67 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.53 7.81 83 I 8.46 5.16 2.08 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 1.42 1.22 0.96 0.00 0.00 84 N 9.03 4.91 0.00 2.89 2.66 0.00 0.00 6.97 6.15 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 85 L 8.28 5.12 0.00 1.44 1.56 0.91 0.86 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 86 Y 8.69 4.64 0.00 2.88 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 87 R 8.90 4.38 0.00 1.87 1.90 0.00 3.26 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 88 A 8.75 4.84 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 89 P 0.00 4.30 0.00 1.98 1.81 0.00 3.50 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.56 0.00 90 V 8.10 3.99 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 0.49 0.00 0.00 0.07 0.00 0.00 91 V 8.20 4.59 2.03 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 0.90 0.00 0.00 0.93 0.00 0.00 92 T 8.60 4.50 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 1.19 0.00 0.00 93 S 8.67 5.12 0.00 3.81 3.83 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 94 K 9.11 4.69 0.00 1.63 1.64 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 95 I 8.28 4.76 1.76 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.39 0.00 0.00 96 V 8.29 4.47 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 1.04 0.00 0.00 0.89 0.00 0.00 97 S 8.67 4.55 0.00 3.88 3.80 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 98 K 8.09 4.23 0.00 1.62 1.75 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.