NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.3194 8.2644 123.5885 52.0950 19.9647 175.7958 24 S 4.5698 8.3914 116.2228 55.8832 63.8179 172.4689 25 I 4.0373 8.3911 125.5999 62.3197 39.1020 175.7625 26 V 3.3901 7.5234 120.7991 62.0520 31.7326 176.3106 27 G 3.6082 7.5311 113.6852 44.8808 0.0000 170.0582 28 S 4.6955 7.5030 115.6537 56.3972 65.3350 173.4510 29 W 5.0991 8.7541 124.9966 54.9577 31.4498 175.3593 30 V 5.2678 9.0238 117.5586 59.7205 35.8854 174.2794 31 E 5.1624 9.4857 119.6302 54.0718 33.4822 172.9252 32 P 4.8265 0.0000 0.0000 62.5673 32.5603 176.4323 33 V 3.8706 8.7005 124.0840 61.7238 32.4759 173.8789 34 P 4.3958 0.0000 0.0000 64.2893 31.5320 177.1316 35 G 3.9272 8.9934 110.3247 45.5869 0.0000 173.3900 36 L 4.5657 7.6386 119.5140 52.1429 42.7123 175.1062 37 E 3.9510 8.4778 124.3496 57.2963 30.1298 177.3260 38 G 3.9701 8.9824 113.1987 45.5092 0.0000 172.7173 39 Q 4.8243 7.6183 118.0102 54.0653 31.6747 175.1196 40 V 5.1604 8.3097 114.3760 59.8566 35.5897 174.6615 41 Q 4.6683 9.0814 119.8693 54.8554 32.3703 174.7280 42 G 4.0573 8.1292 106.6853 46.3198 0.0000 171.5763 43 I 4.8457 7.5254 121.3443 59.5773 41.6679 175.3846 44 K 5.0114 8.8334 127.9109 54.0617 35.2954 174.3793 *46 E 4.5428 8.3820 119.3404 55.7625 31.2198 175.8640 47 E 4.4363 8.8335 121.1155 58.3644 29.9817 177.7451 48 G 3.8901 8.7920 111.3492 44.9148 0.0000 174.4566 49 G 3.1379 8.3147 108.0334 44.3734 0.0000 173.3075 50 V 4.3054 7.5380 119.6668 62.7568 32.1377 174.9616 51 A 5.4467 8.6906 129.1838 50.3804 21.9631 175.4370 52 S 5.0092 8.9689 113.9458 56.7329 67.0052 173.5983 53 S 4.8168 8.8994 117.6943 58.6423 63.8995 173.8930 54 V 4.0434 9.1370 124.6489 61.6383 33.1629 172.6559 55 N 4.0473 8.9189 129.6259 53.7297 37.0592 173.0841 *57 A 4.4526 8.4535 126.8383 52.2670 20.7037 177.5966 58 T 4.3467 7.7571 110.8642 64.6580 70.2487 174.6293 59 L 4.9538 7.9465 121.0379 53.1541 43.5928 176.7516 60 V 4.3024 8.6954 124.6476 61.0519 32.4530 174.1790 61 Y 4.3139 8.8437 124.9538 58.1433 38.3566 175.7228 62 E 4.8193 9.8521 120.1372 57.3722 33.5622 175.8232 63 S 5.3312 8.0164 111.9917 56.6941 66.9128 173.3251 64 W 5.8444 8.8203 117.4747 55.0363 31.4111 174.6999 65 K 4.3562 9.2429 119.8032 54.8959 36.4799 174.8370 66 Q 5.1658 8.8518 125.0041 54.4417 31.3979 174.4182 67 E 4.5809 9.1266 126.5871 55.2280 32.4295 176.5854 68 G 4.0382 8.3825 115.8390 47.3415 0.0000 173.4574 69 T 4.4812 8.5687 114.4801 60.7668 68.9562 172.6841 70 K 4.7072 8.2595 124.2923 55.5075 34.1285 174.7700 71 L 5.2165 8.4933 128.3018 53.3416 45.0973 174.6248 72 I 4.9510 9.2088 126.9230 59.5946 40.1292 174.4376 73 L 5.6441 9.4576 127.4713 53.2142 45.0690 175.7522 74 T 4.8265 9.2500 111.7277 59.9326 72.8067 174.2366 75 G 3.3733 6.3640 107.4967 45.7017 0.0000 171.6580 76 K 5.0917 7.6221 118.1356 55.3429 36.5459 175.5612 77 S 5.3128 9.1602 116.6533 56.9059 65.8819 172.7043 78 I 4.5818 8.2573 122.9858 59.8964 38.4733 175.6875 79 G 4.2397 8.0106 118.9275 44.4865 0.0000 172.5363 80 N 4.4135 9.1704 118.1220 56.3634 39.0791 175.8297 81 G 3.8186 7.9629 104.3255 47.5124 0.0000 173.1165 82 Q 3.9460 8.0521 122.5872 55.3453 28.0886 177.6053 83 T 4.8756 8.3240 120.5464 61.4621 70.2014 174.7060 84 I 4.6665 8.4125 126.0838 59.3442 40.9034 175.0843 85 E 4.6285 8.9248 126.3441 56.4608 30.5216 175.9833 86 F 5.1062 8.7653 116.6524 55.3808 42.1795 173.5589 87 V 4.9534 8.5704 118.6884 61.5054 34.2026 174.0582 88 D 5.3259 9.7498 128.2710 52.7273 43.8533 175.3459 89 T 5.4755 8.3202 111.5079 58.9179 72.4794 172.8124 *91 D 4.5366 8.3757 120.6728 54.3257 42.7297 174.7848 92 I 4.2918 8.9833 124.9484 61.0327 36.9826 175.9153 93 K 4.3625 8.9545 127.5505 57.5923 33.5145 177.2781 94 R 4.5790 7.5906 118.9566 55.0282 33.7337 174.0334 95 L 4.7946 8.3850 128.4376 54.7585 43.8659 173.8814 96 T 4.7942 8.8296 117.8576 59.4694 71.7121 174.4100 97 A 3.8502 8.7501 122.8084 55.0142 18.5616 177.7963 98 D 5.0510 8.3272 112.5843 53.9381 43.4786 175.7530 99 S 5.3167 8.3209 113.7569 56.5810 66.5552 172.3729 100 L 4.6843 8.9984 128.0415 53.2779 44.8142 174.8613 101 V 4.7657 8.5232 126.8556 61.0789 34.0180 174.3832 102 L 5.2684 9.0406 127.0706 52.8847 45.9633 174.8442 103 D 4.9529 9.1435 121.5015 52.6347 43.4756 175.1254 104 N 4.6600 8.8761 124.9845 52.3205 39.2062 173.8898 105 Q 3.1186 9.5618 128.5035 56.8166 27.0676 175.4146 106 G 3.9740 8.2855 103.5013 45.9168 0.0000 173.5578 *108 E 4.2371 7.5706 116.6879 56.0948 31.3279 175.5580 109 I 4.3552 8.8689 127.6486 59.4062 40.2175 174.6596 110 R 4.8650 8.3214 125.3615 54.7636 32.0157 174.8146 111 Y 5.2978 9.2420 121.8881 56.1909 41.4937 174.7043 112 A 5.4614 8.9621 123.2452 49.8927 22.2725 175.7869 113 K 3.5869 8.5931 123.3408 55.9940 32.8990 176.7376 114 Q 4.1172 8.5792 128.1644 56.3491 28.5896 175.4015 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 23 A 8.26 4.32 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 24 S 8.39 4.57 0.00 3.97 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 25 I 8.39 4.04 1.78 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 1.00 0.59 0.50 0.00 0.00 26 V 7.52 3.39 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 0.80 0.00 0.00 1.13 0.00 0.00 27 G 7.53 3.61 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 0.00 0.00 0.00 28 S 7.50 4.70 0.00 3.53 3.59 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 29 W 8.75 5.10 0.00 2.68 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 30 V 9.02 5.27 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 0.69 0.00 0.00 0.96 0.00 0.00 31 E 9.49 5.16 0.00 1.95 2.16 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 2.58 2.36 0.00 32 P 0.00 4.83 0.00 1.97 2.04 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 33 V 8.70 3.87 2.25 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 0.95 0.00 0.00 1.01 0.00 0.00 34 P 0.00 4.40 0.00 2.08 2.00 0.00 3.82 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 2.03 2.10 0.00 35 G 8.99 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 0.00 0.00 0.00 36 L 7.64 4.57 0.00 1.70 1.59 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.48 3.95 0.00 1.93 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 2.30 2.31 0.00 38 G 8.98 3.97 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 0.00 0.00 0.00 39 Q 7.62 4.82 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 40 V 8.31 5.16 2.18 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 0.77 0.00 0.00 0.94 0.00 0.00 41 Q 9.08 4.67 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 42 G 8.13 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 0.00 0.00 0.00 43 I 7.53 4.85 1.53 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.43 0.67 0.00 0.00 44 K 8.83 5.01 0.00 1.71 1.66 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.15 7.81 *46 E 8.38 4.54 0.00 2.16 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 2.34 2.44 0.00 47 E 8.83 4.44 0.00 2.03 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 0.00 2.41 2.32 0.00 48 G 8.79 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 0.00 0.00 0.00 49 G 8.31 3.14 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 0.00 0.00 0.00 0.00 50 V 7.54 4.31 2.18 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 0.92 0.00 0.00 0.96 0.00 0.00 51 A 8.69 5.45 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 52 S 8.97 5.01 0.00 3.91 3.97 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 53 S 8.90 4.82 0.00 3.91 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 54 V 9.14 4.04 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 1.01 0.00 0.00 0.89 0.00 0.00 55 N 8.92 4.05 0.00 2.87 2.95 0.00 0.00 7.16 7.96 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 *57 A 8.45 4.45 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 58 T 7.76 4.35 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 59 L 7.95 4.95 0.00 1.65 1.56 1.02 0.73 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 60 V 8.70 4.30 2.06 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 1.06 0.00 0.00 0.95 0.00 0.00 61 Y 8.84 4.31 0.00 3.08 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 62 E 9.85 4.82 0.00 1.74 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 0.00 2.19 2.33 0.00 63 S 8.02 5.33 0.00 3.73 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 64 W 8.82 5.84 0.00 3.46 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 65 K 9.24 4.36 0.00 1.77 1.61 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.25 7.81 66 Q 8.85 5.17 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 67 E 9.13 4.58 0.00 2.03 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 2.21 2.22 0.00 68 G 8.38 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 69 T 8.57 4.48 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 1.22 0.00 0.00 70 K 8.26 4.71 0.00 1.86 1.82 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.39 7.81 71 L 8.49 5.22 0.00 1.80 1.50 1.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.21 4.95 1.93 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 1.27 0.72 0.97 0.00 0.00 73 L 9.46 5.64 0.00 1.86 1.98 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 T 9.25 4.83 4.09 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 0.00 0.00 1.21 0.00 0.00 75 G 6.36 3.37 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 0.00 76 K 7.62 5.09 0.00 1.86 1.90 0.00 1.25 0.00 0.00 1.80 0.00 0.00 3.21 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.35 7.81 77 S 9.16 5.31 0.00 3.92 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 78 I 8.26 4.58 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 0.92 0.00 0.00 79 G 8.01 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 0.00 0.00 0.00 0.00 80 N 9.17 4.41 0.00 2.68 2.87 0.00 0.00 6.53 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 81 G 7.96 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 82 Q 8.05 3.95 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 6.90 0.00 0.00 0.00 0.00 0.00 2.37 1.98 0.00 83 T 8.32 4.88 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 1.24 0.00 0.00 84 I 8.41 4.67 1.92 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 1.25 1.01 0.95 0.00 0.00 85 E 8.92 4.63 0.00 1.82 1.79 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 2.25 2.19 0.00 86 F 8.77 5.11 0.00 2.98 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 87 V 8.57 4.95 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 0.90 0.00 0.00 0.94 0.00 0.00 88 D 9.75 5.33 0.00 2.80 2.63 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 0.00 0.00 0.00 0.00 89 T 8.32 5.48 4.28 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 1.26 0.00 0.00 *91 D 8.38 4.54 0.00 2.64 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 92 I 8.98 4.29 1.92 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 1.15 0.53 0.82 0.00 0.00 93 K 8.95 4.36 0.00 1.56 1.82 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.48 7.81 94 R 7.59 4.58 0.00 1.81 1.65 0.00 3.16 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 95 L 8.38 4.79 0.00 1.51 1.47 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.83 4.79 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 1.23 0.00 0.00 97 A 8.75 3.85 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 98 D 8.33 5.05 0.00 2.67 2.69 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 99 S 8.32 5.32 0.00 3.89 3.70 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 0.00 100 L 9.00 4.68 0.00 0.27 0.62 0.51 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.52 4.77 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 0.94 0.00 0.00 0.89 0.00 0.00 102 L 9.04 5.27 0.00 1.48 1.45 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 103 D 9.14 4.95 0.00 2.56 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 0.00 0.00 0.00 0.00 104 N 8.88 4.66 0.00 2.69 2.69 0.00 0.00 7.49 7.08 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 0.00 105 Q 9.56 3.12 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.09 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 106 G 8.29 3.97 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 0.00 0.00 0.00 *108 E 7.57 4.24 0.00 1.98 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 2.12 2.30 0.00 109 I 8.87 4.36 1.60 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.26 0.20 0.00 0.00 110 R 8.32 4.86 0.00 1.57 1.80 0.00 3.12 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 111 Y 9.24 5.30 0.00 2.92 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 0.00 112 A 8.96 5.46 1.30 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 0.00 113 K 8.59 3.59 0.00 1.11 1.47 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.08 0.91 7.81 114 Q 8.58 4.12 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.32 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.