NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.6233 8.2785 119.2051 53.1979 40.2505 174.4642 5 A 3.7931 8.7929 128.1993 55.0174 18.3239 177.6929 6 K 3.8847 8.3232 116.7603 59.7403 32.4476 177.5006 7 Q 4.0359 8.9815 119.9831 59.3453 28.9627 178.4379 8 I 3.6936 7.7867 120.8305 64.3063 37.0430 178.6205 9 V 3.6015 8.0743 119.2599 66.2422 31.3641 177.5037 10 H 4.0083 8.6604 118.2749 59.4148 29.7126 177.1156 11 E 3.9840 8.6030 120.7710 59.2531 29.2559 179.1369 12 L 3.8363 8.3230 120.8982 58.0298 42.1147 178.3029 13 Y 3.8194 8.3192 119.7936 60.9015 38.8127 177.8884 14 N 4.7966 8.4892 118.7534 55.8799 38.4118 176.9537 15 D 4.3499 8.0324 118.4925 57.4034 41.7452 178.1194 16 I 3.6368 7.6598 120.6270 64.1373 37.1414 178.4546 17 S 3.9649 8.1837 115.5699 61.5431 62.3903 176.6333 18 I 3.7398 7.3726 121.9966 63.2992 38.1595 177.2082 19 S 4.4920 7.4648 117.3978 56.3049 61.1453 173.4673 20 K 3.9454 7.5338 121.5070 55.9501 32.3134 174.2272 21 D 4.8784 8.1789 120.3933 50.6912 44.0387 174.6844 22 P 4.3512 0.0000 0.0000 65.7024 30.8853 178.0638 23 K 4.0501 8.4093 117.1707 58.5639 32.7106 177.4510 24 Y 4.6407 7.7988 117.5498 57.6219 38.4512 177.1767 25 S 4.1642 8.0191 117.4561 61.8675 62.9706 176.3736 26 D 4.4205 8.1136 122.2037 56.9782 40.6091 178.6120 27 I 4.1037 7.9451 119.8121 64.5979 37.1124 178.3501 28 L 3.9517 8.2711 119.9237 57.6343 41.4092 179.1501 29 E 4.0056 8.3351 119.4206 59.2909 29.5183 179.1284 30 V 3.5293 7.9670 118.2478 65.9461 31.5203 177.9249 31 L 4.0445 8.2797 118.9580 57.7898 41.4871 179.2334 32 Q 3.8333 8.5451 119.6775 59.1333 29.0994 178.2579 33 K 3.8834 8.1028 120.5215 59.6104 32.1675 178.8498 34 V 3.5792 8.0748 118.6019 65.9773 31.2241 177.1812 35 Y 3.9788 7.9924 118.3512 60.8508 39.0506 177.8422 36 L 4.2226 7.9449 119.6430 57.9047 41.5011 179.7803 37 K 3.9798 7.6532 116.7793 59.3441 32.0950 179.0882 38 L 4.1111 7.8217 117.5862 56.3172 41.6517 177.4294 39 E 4.2517 7.3693 118.3432 56.0180 31.0298 175.4401 *47 P 4.4351 0.0000 0.0000 62.8336 33.7791 178.6240 48 S 4.1035 8.1460 115.0799 61.1788 62.7162 174.6075 49 P 4.2595 0.0000 0.0000 65.3956 31.1403 178.4422 50 L 3.9621 7.8384 118.6722 58.1545 42.0885 178.8081 51 I 3.6865 8.0302 120.1057 64.5192 36.9906 177.9646 52 N 4.3707 8.4045 117.8873 56.7574 38.7796 177.1057 53 R 3.9831 8.1694 119.5851 59.0482 30.0509 178.8277 54 L 4.0126 7.9927 120.1930 58.1895 42.1609 179.2252 55 V 3.4354 7.9609 118.2714 65.8785 31.4158 177.5014 56 N 4.6761 8.4973 117.8541 56.0257 38.5063 176.6207 57 Y 4.2742 8.2173 120.6044 60.7442 38.9081 178.0268 58 L 3.9312 8.2637 119.9499 58.2733 41.7528 179.2931 59 Y 4.3526 7.9818 116.4926 60.7975 37.7346 178.1140 60 F 4.2893 8.5892 121.7684 61.7070 39.5221 177.3684 61 T 3.3946 8.2927 115.4721 66.3062 68.1345 176.4535 62 A 3.7106 7.9931 122.6848 55.1542 18.4822 179.1199 63 Y 3.7625 7.9572 117.8491 61.2391 38.7633 178.1742 64 T 3.6585 7.5691 115.3227 66.1108 68.5577 175.4407 65 N 4.4681 7.9871 115.4411 51.6243 39.5986 174.9732 66 K 3.5855 7.1806 118.7529 57.4125 30.2188 175.0997 67 I 4.1339 7.7320 117.8349 59.5539 39.1024 176.3564 68 R 4.4178 8.0147 122.3125 54.1607 31.9166 175.9099 69 F 4.6372 8.3876 122.1329 57.2052 39.8282 176.1684 70 T 4.3059 8.8231 114.3169 61.1857 70.8075 175.3181 71 E 3.9557 8.8082 121.8506 59.8398 29.5447 178.4004 72 Y 4.5059 7.9333 120.1768 60.4210 38.9590 177.7471 73 Q 3.6220 8.0708 118.9261 58.8639 28.7750 178.6396 74 E 3.8598 8.4509 119.8647 59.3954 28.9829 179.2921 75 E 3.9913 8.0632 118.7041 59.2714 29.4657 179.3920 76 L 3.8561 7.6185 119.0657 57.7719 41.6741 179.6007 77 I 3.4919 7.6250 119.8236 64.1083 36.9110 178.4587 78 R 3.8725 8.0098 119.5635 59.6151 29.9558 178.3981 79 N 4.8505 8.1958 117.6152 55.5787 38.5096 177.1748 80 L 3.8656 8.0082 121.9225 58.2716 42.1249 179.0569 81 S 4.0561 7.9251 112.9283 61.3261 62.2499 175.8728 82 E 3.8717 8.0808 121.4344 59.4102 28.9284 179.4259 83 I 3.8066 7.5642 119.1782 64.3280 37.2462 178.5022 84 G 3.7332 7.8396 105.4362 46.2032 0.0000 174.2928 85 R 4.0578 7.6230 120.2868 54.3001 29.5905 174.7505 86 T 4.4912 7.3503 115.7667 60.8534 71.2416 174.0526 87 A 4.1385 8.9276 128.2838 54.1096 18.4144 177.7436 88 G 3.9736 8.9567 110.2682 46.1692 0.0000 174.3813 89 I 4.0867 7.8106 120.6024 63.3806 38.4181 175.7753 90 N 4.9620 7.6172 117.0212 53.6950 38.8385 175.9955 91 G 3.9511 11.3000 106.4750 43.9503 0.0000 172.3206 92 L 4.0604 8.2396 121.9159 54.5836 42.6979 175.6139 93 Y 4.8845 7.5647 122.8189 55.3709 40.4747 175.7182 94 R 4.1096 8.3107 118.5553 56.7304 30.9764 175.7509 95 A 4.3692 7.3425 118.5600 51.6767 21.7618 175.2507 96 D 4.5377 7.9653 118.6632 53.9550 41.2571 175.8305 97 Y 3.9794 8.5306 122.4135 59.6266 38.8978 177.5949 98 G 3.8619 8.2109 114.9703 45.2085 0.0000 172.7016 99 D 4.4756 7.9018 121.2520 53.5456 41.7652 177.1151 100 K 4.3789 8.7530 125.8275 59.0449 32.9023 178.7621 101 S 4.2689 8.6892 114.9610 60.5478 62.8165 174.9835 102 Q 4.0449 7.5112 117.8884 56.7317 28.8450 176.0018 103 F 4.4568 7.8897 123.1729 57.7992 39.2098 175.2084 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 4 N 8.28 4.62 0.00 2.74 2.79 0.00 0.00 6.94 7.34 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 5 A 8.79 3.79 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 6 K 8.32 3.88 0.00 2.01 1.95 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.39 7.81 7 Q 8.98 4.04 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 8 I 7.79 3.69 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 1.64 0.77 0.86 0.00 0.00 9 V 8.07 3.60 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 1.21 0.00 0.00 1.03 0.00 0.00 10 H 8.66 4.01 0.00 3.40 3.41 0.00 5.66 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 11 E 8.60 3.98 0.00 2.16 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 2.34 2.56 0.00 12 L 8.32 3.84 0.00 1.72 1.77 0.64 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.32 3.82 0.00 3.19 3.05 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 0.00 0.00 0.00 14 N 8.49 4.80 0.00 2.99 2.90 0.00 0.00 6.20 7.59 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 15 D 8.03 4.35 0.00 2.86 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 16 I 7.66 3.64 1.61 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 0.92 0.44 0.00 0.00 17 S 8.18 3.96 0.00 3.90 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 18 I 7.37 3.74 1.98 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 1.52 0.77 0.90 0.00 0.00 19 S 7.46 4.49 0.00 3.91 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 20 K 7.53 3.95 0.00 1.74 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.47 7.81 21 D 8.18 4.88 0.00 2.84 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 22 P 0.00 4.35 0.00 2.28 2.30 0.00 3.76 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 2.04 2.02 0.00 23 K 8.41 4.05 0.00 1.61 1.78 0.00 1.14 0.00 0.00 1.46 0.00 0.00 3.17 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.56 0.41 7.81 24 Y 7.80 4.64 0.00 3.15 2.90 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 0.00 0.00 0.00 25 S 8.02 4.16 0.00 4.09 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.11 4.42 0.00 2.84 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 27 I 7.95 4.10 2.25 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.77 1.12 0.00 0.00 28 L 8.27 3.95 0.00 1.83 1.57 0.74 0.00 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 29 E 8.34 4.01 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 30 V 7.97 3.53 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 0.79 0.00 0.00 0.45 0.00 0.00 31 L 8.28 4.04 0.00 2.18 1.93 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.55 3.83 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 33 K 8.10 3.88 0.00 1.97 1.96 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 34 V 8.07 3.58 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 0.95 0.00 0.00 1.01 0.00 0.00 35 Y 7.99 3.98 0.00 3.00 3.10 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 0.00 0.00 0.00 0.00 36 L 7.94 4.22 0.00 1.91 1.70 0.93 0.81 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 37 K 7.65 3.98 0.00 1.88 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 38 L 7.82 4.11 0.00 1.54 1.58 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.37 4.25 0.00 1.97 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 1.97 1.83 0.00 *47 P 0.00 4.44 0.00 2.22 2.32 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 48 S 8.15 4.10 0.00 4.02 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 49 P 0.00 4.26 0.00 2.16 2.11 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 50 L 7.84 3.96 0.00 1.75 1.81 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.03 3.69 2.02 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 1.39 0.59 0.92 0.00 0.00 52 N 8.40 4.37 0.00 2.99 2.88 0.00 0.00 7.28 7.28 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 53 R 8.17 3.98 0.00 2.11 2.00 0.00 3.20 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 54 L 7.99 4.01 0.00 1.78 1.89 1.00 0.65 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 55 V 7.96 3.44 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 0.15 0.00 0.00 0.79 0.00 0.00 56 N 8.50 4.68 0.00 3.16 3.03 0.00 0.00 6.22 8.13 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 57 Y 8.22 4.27 0.00 3.19 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 58 L 8.26 3.93 0.00 1.58 1.45 0.69 1.01 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 59 Y 7.98 4.35 0.00 3.25 3.13 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 0.00 0.00 0.00 0.00 60 F 8.59 4.29 0.00 3.27 3.33 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 61 T 8.29 3.39 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 1.04 0.00 0.00 62 A 7.99 3.71 1.26 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 0.00 0.00 63 Y 7.96 3.76 0.00 3.15 3.05 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 0.00 0.00 0.00 64 T 7.57 3.66 3.71 0.00 0.00 0.00 0.00 0.00 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 65 N 7.99 4.47 0.00 2.51 2.62 0.00 0.00 7.16 7.16 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 66 K 7.18 3.59 0.00 1.73 1.68 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.09 1.12 7.81 67 I 7.73 4.13 1.46 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.37 0.50 0.00 0.00 68 R 8.01 4.42 0.00 1.73 1.84 0.00 3.33 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 69 F 8.39 4.64 0.00 3.09 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 70 T 8.82 4.31 4.33 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 1.31 0.00 0.00 71 E 8.81 3.96 0.00 2.16 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 2.47 2.63 0.00 72 Y 7.93 4.51 0.00 3.05 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 73 Q 8.07 3.62 0.00 2.41 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 74 E 8.45 3.86 0.00 2.25 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 0.00 2.51 2.65 0.00 75 E 8.06 3.99 0.00 2.23 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 2.37 2.46 0.00 76 L 7.62 3.86 0.00 1.52 1.47 0.41 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.62 3.49 1.75 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.66 0.56 0.00 0.00 78 R 8.01 3.87 0.00 1.99 2.12 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 79 N 8.20 4.85 0.00 2.90 2.82 0.00 0.00 6.19 6.35 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 80 L 8.01 3.87 0.00 1.77 1.73 0.89 0.55 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 81 S 7.93 4.06 0.00 3.80 3.94 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 82 E 8.08 3.87 0.00 2.22 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 2.31 2.64 0.00 83 I 7.56 3.81 2.01 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 1.44 0.63 0.89 0.00 0.00 84 G 7.84 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 0.00 0.00 0.00 0.00 85 R 7.62 4.06 0.00 1.35 0.66 0.00 3.01 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.36 0.00 86 T 7.35 4.49 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 1.24 0.00 0.00 87 A 8.93 4.14 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 88 G 8.96 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 89 I 7.81 4.09 1.92 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 1.21 0.87 0.93 0.00 0.00 90 N 7.62 4.96 0.00 2.66 2.18 0.00 0.00 6.92 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 91 G 11.30 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 92 L 8.24 4.06 0.00 1.55 1.53 0.82 0.72 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 93 Y 7.56 4.88 0.00 3.07 2.91 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 0.00 94 R 8.31 4.11 0.00 1.70 1.89 0.00 3.10 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 95 A 7.34 4.37 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 96 D 7.97 4.54 0.00 2.76 2.64 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 97 Y 8.53 3.98 0.00 3.08 2.90 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 0.00 0.00 0.00 98 G 8.21 3.86 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 99 D 7.90 4.48 0.00 2.80 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 0.00 100 K 8.75 4.38 0.00 2.08 2.12 0.00 1.59 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.48 7.81 101 S 8.69 4.27 0.00 3.95 4.10 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 0.00 0.00 0.00 0.00 102 Q 7.51 4.04 0.00 1.78 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.15 1.16 0.00 103 F 7.89 4.46 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.