NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.0218 8.2993 119.9952 56.6339 33.7183 175.4138 12 F 4.4957 8.0655 119.3400 54.5572 37.4307 174.2371 13 R 3.7191 8.4495 127.0693 55.2738 31.3266 180.2729 14 V 3.3222 8.5814 125.8346 61.1233 30.8378 172.1240 15 R 3.6743 8.5848 111.7216 57.6104 27.7257 175.5961 16 N 4.3854 7.7053 117.2359 55.5890 39.4513 176.1674 17 R 4.0392 7.5586 115.7296 57.1778 30.4502 175.1450 18 I 3.5311 8.3486 121.6924 62.7503 35.1399 176.2460 19 K 4.2537 7.4929 117.1411 56.7896 31.4217 176.6655 20 R 4.4615 7.5989 117.4536 54.9049 30.3714 175.2755 21 T 4.3624 8.5150 117.9654 65.2173 71.0953 176.6246 22 G 3.8196 7.9020 108.6923 45.8548 0.0000 172.1819 23 R 3.3929 8.3491 119.3420 56.3851 30.3223 175.4209 24 L 3.5890 8.0952 120.5646 55.1638 38.6469 172.6980 25 R 4.4594 8.7214 123.7622 54.5682 31.9358 174.9549 26 L 4.9267 8.4614 129.2884 53.8873 41.9350 174.2512 27 S 4.5138 8.7832 120.6560 58.5604 64.2985 172.2624 28 V 3.6800 8.7195 123.7049 62.4377 29.9280 177.1885 29 F 4.1810 9.7305 129.2911 58.9774 37.8968 171.0636 30 R 4.5463 7.8539 126.9586 54.4212 31.9839 176.1529 31 S 4.3792 7.8495 127.5254 58.2388 61.2884 175.5103 32 L 4.6131 8.5739 114.7917 54.3358 43.9434 176.7183 33 K 4.4083 8.2022 117.4579 57.3549 34.2153 174.8080 34 H 5.5565 7.2852 116.0089 55.7422 30.5363 172.6909 35 I 4.5341 7.9001 117.4385 62.0267 40.5725 174.5934 36 Y 4.9711 9.1207 127.7020 57.3328 40.0619 175.3100 37 A 4.8261 8.6792 120.6645 51.3296 23.3040 175.1887 38 Q 4.7476 9.3844 124.6024 54.3346 32.4141 174.2713 39 I 4.7286 8.8291 128.1496 60.5596 38.3686 174.5982 40 I 4.7277 9.0701 129.0972 59.4556 40.1016 174.6825 41 D 4.9106 8.9089 127.0194 52.9450 42.4889 175.9111 42 D 4.9203 8.4076 127.3723 54.4177 42.6724 177.4105 43 E 3.9997 8.8880 115.6019 58.0412 28.1325 175.5478 44 K 4.3275 8.6462 117.2864 56.3595 34.1245 177.0446 45 G 3.8606 7.9756 104.0730 46.0618 0.0000 174.3043 46 V 4.5071 7.7631 120.3093 61.3917 35.4980 173.5308 47 T 4.9944 8.3520 120.6092 61.9034 70.7780 174.0637 48 L 4.6998 8.6647 124.2938 55.1157 44.5909 177.2161 49 V 4.4353 7.6469 118.2074 61.3469 34.5730 174.5534 50 S 5.3458 8.3915 122.8259 56.9584 66.4256 173.4010 51 A 4.4385 7.9740 118.6223 51.6522 23.1039 175.9161 52 S 4.9793 8.5849 116.5593 55.4364 67.0530 175.7076 53 S 4.7253 7.7753 121.4265 57.3410 60.7384 177.5874 54 L 4.6478 8.4339 119.1522 56.7265 41.5691 176.9640 55 A 4.2280 7.7030 119.1321 52.6954 17.8730 177.3947 56 L 4.3522 7.9959 119.7077 54.6116 44.9520 177.4101 57 K 3.9697 8.2118 123.5159 56.0161 35.7400 174.4990 58 L 3.3975 9.6192 119.1628 56.4747 42.3961 172.9314 59 K 3.5530 8.2081 120.7693 57.5927 32.1234 174.1710 60 G 4.0918 8.2605 107.1351 45.2153 0.0000 171.9251 61 N 4.8421 7.8780 117.8285 51.6879 40.5416 173.8913 62 K 4.2911 7.6363 120.5339 57.6631 31.9668 178.9252 63 T 3.8091 7.8376 113.3886 65.5765 69.1921 175.8032 64 E 4.0224 8.1015 120.4743 59.1962 29.5411 178.9300 65 V 3.6119 7.3470 117.3088 65.5691 32.5912 175.8691 66 A 4.6963 8.3152 122.8680 50.1725 15.4997 177.3421 67 R 5.2710 7.9454 133.2522 56.8764 29.9128 176.2616 68 Q 4.2299 7.4808 117.2407 58.8653 28.4896 179.9053 69 V 3.6633 8.1768 120.4537 64.7618 31.6422 178.2699 70 G 3.8654 8.1232 106.9300 47.5194 0.0000 174.8793 71 R 3.9003 8.4205 121.0869 59.1060 30.2901 178.5704 72 A 3.9847 7.8732 119.4035 55.6352 18.2182 178.8539 73 L 3.8354 8.3346 118.4499 58.3123 42.0424 178.7280 74 A 3.9702 8.2988 119.9037 56.2793 18.4377 178.8435 75 E 3.6976 8.3410 114.4458 60.0021 29.3506 179.7085 76 K 3.8568 8.1765 119.6611 60.5804 32.8148 178.5538 77 A 4.0247 8.4021 121.0360 54.3378 18.1639 179.1769 78 L 4.0211 9.2085 116.8634 57.2136 41.8719 179.7643 79 A 4.0740 7.8195 119.3212 54.0070 19.0469 177.6248 80 L 4.6993 8.5057 116.3046 55.0703 40.6642 176.3463 81 G 4.2451 8.6172 113.8046 46.8694 0.0000 173.3936 82 I 3.5387 7.2568 123.2500 61.0863 36.7880 174.3431 83 K 4.3513 8.5387 123.7752 57.4477 34.3994 174.9454 84 Q 4.5855 7.8113 119.1421 55.3878 30.5529 175.1627 85 V 4.4531 7.9760 123.2101 62.4467 35.3354 172.2361 86 A 4.9144 8.1455 118.9207 49.9443 22.4151 176.6359 87 F 4.9914 8.9944 128.5442 58.1653 41.7879 171.8789 88 D 4.6203 10.5061 119.8475 52.9640 38.0079 180.2477 89 R 3.2144 5.8400 111.1589 56.2125 31.1557 172.9607 90 G 3.7915 7.9521 111.5069 47.4471 0.0000 173.0946 91 P 4.3130 0.0000 0.0000 64.9474 31.4850 180.4344 92 Y 3.5262 8.9463 116.5472 59.5722 40.2663 175.6168 93 K 3.1101 8.4859 121.6228 56.0583 30.1284 172.6796 94 Y 4.0667 6.8846 125.0179 58.0359 37.9550 175.1504 95 H 4.4322 7.9297 132.2578 55.8255 32.3968 172.9915 96 G 3.0178 7.4422 99.0291 47.2801 0.0000 174.1694 97 R 3.8067 8.3756 114.5211 55.5344 30.4579 177.1545 98 V 4.3810 7.5608 124.4637 63.0946 34.0894 172.1116 99 K 4.2008 8.1223 128.5621 54.4029 30.4556 176.0403 100 A 4.0154 7.5696 121.1084 52.2156 17.6675 176.0724 101 L 4.5914 7.9659 121.1412 53.2309 44.6883 176.9865 102 A 4.2204 8.5209 128.8652 53.2346 19.8122 177.0966 103 E 3.7341 9.2149 119.9687 56.9340 27.7298 176.5903 104 G 3.8733 9.1594 108.0902 46.7962 0.0000 173.2525 105 A 4.4577 9.2697 125.4538 51.8157 18.8582 179.0229 106 R 4.3029 8.0105 117.4761 56.9561 30.1728 175.7643 107 E 3.5472 8.6824 120.3916 57.0493 30.2684 174.3805 108 G 3.7289 8.5829 107.7726 45.9245 0.0000 174.0117 *109 G 3.7078 7.8978 113.3140 45.6732 0.0000 172.9719 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 11 K 8.30 4.02 0.00 1.75 1.80 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.35 7.81 12 F 8.07 4.50 0.00 3.18 3.12 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 0.00 0.00 0.00 0.00 13 R 8.45 3.72 0.00 1.84 1.82 0.00 3.24 0.00 0.00 3.15 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 14 V 8.58 3.32 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 0.81 0.00 0.00 1.02 0.00 0.00 15 R 8.58 3.67 0.00 1.91 1.87 0.00 3.39 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 16 N 7.71 4.39 0.00 2.50 2.64 0.00 0.00 6.97 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.56 4.04 0.00 1.74 1.88 0.00 3.24 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 18 I 8.35 3.53 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 0.64 0.90 0.00 0.00 19 K 7.49 4.25 0.00 1.59 1.95 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 20 R 7.60 4.46 0.00 1.76 1.85 0.00 3.29 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 21 T 8.51 4.36 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 1.21 0.00 0.00 22 G 7.90 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 23 R 8.35 3.39 0.00 1.94 1.92 0.00 3.37 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 24 L 8.10 3.59 0.00 1.84 1.72 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.72 4.46 0.00 1.85 1.75 0.00 3.08 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 26 L 8.46 4.93 0.00 1.87 1.73 1.08 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.78 4.51 0.00 3.82 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 28 V 8.72 3.68 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 0.93 0.00 0.00 0.90 0.00 0.00 29 F 9.73 4.18 0.00 3.03 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 4.55 0.00 1.74 1.77 0.00 3.24 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 31 S 7.85 4.38 0.00 3.69 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.57 4.61 0.00 1.63 1.65 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.20 4.41 0.00 1.72 1.94 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.42 7.81 34 H 7.29 5.56 0.00 3.43 3.14 0.00 6.02 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.90 4.53 1.87 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 1.42 1.21 0.93 0.00 0.00 36 Y 9.12 4.97 0.00 2.91 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 37 A 8.68 4.83 1.32 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 0.00 0.00 38 Q 9.38 4.75 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 39 I 8.83 4.73 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 0.93 0.00 0.00 40 I 9.07 4.73 1.86 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 1.11 0.99 0.94 0.00 0.00 41 D 8.91 4.91 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.41 4.92 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 4.00 0.00 2.11 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 2.21 2.27 0.00 44 K 8.65 4.33 0.00 1.64 1.78 0.00 1.85 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 1.34 1.37 7.81 45 G 7.98 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 46 V 7.76 4.51 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 1.07 0.00 0.00 1.03 0.00 0.00 47 T 8.35 4.99 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 1.28 0.00 0.00 48 L 8.66 4.70 0.00 1.48 1.69 0.93 0.78 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 49 V 7.65 4.44 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 1.15 0.00 0.00 0.95 0.00 0.00 50 S 8.39 5.35 0.00 3.80 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 51 A 7.97 4.44 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 52 S 8.58 4.98 0.00 3.33 3.75 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 0.00 0.00 0.00 53 S 7.78 4.73 0.00 3.83 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 54 L 8.43 4.65 0.00 1.06 1.06 0.92 1.17 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 55 A 7.70 4.23 1.07 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 0.00 0.00 0.00 0.00 0.00 56 L 8.00 4.35 0.00 1.47 1.93 0.93 0.48 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 57 K 8.21 3.97 0.00 1.75 1.10 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.23 1.22 7.81 58 L 9.62 3.40 0.00 1.71 1.56 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.21 3.55 0.00 1.83 1.96 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.36 1.40 7.81 60 G 8.26 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 0.00 0.00 0.00 0.00 61 N 7.88 4.84 0.00 2.77 2.64 0.00 0.00 7.08 6.75 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 62 K 7.64 4.29 0.00 1.77 1.65 0.00 1.75 0.00 0.00 1.97 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.41 7.81 63 T 7.84 3.81 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 1.15 0.00 0.00 64 E 8.10 4.02 0.00 2.05 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 2.38 2.41 0.00 65 V 7.35 3.61 2.29 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 0.96 0.00 0.00 0.98 0.00 0.00 66 A 8.32 4.70 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 67 R 7.95 5.27 0.00 1.93 2.22 0.00 3.18 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.36 0.00 68 Q 7.48 4.23 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 69 V 8.18 3.66 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 1.02 0.00 0.00 0.96 0.00 0.00 70 G 8.12 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 71 R 8.42 3.90 0.00 1.92 2.03 0.00 3.32 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 72 A 7.87 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 3.84 0.00 1.96 1.70 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.30 3.97 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 75 E 8.34 3.70 0.00 2.26 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 2.35 2.40 0.00 76 K 8.18 3.86 0.00 1.94 1.92 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 77 A 8.40 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.21 4.02 0.00 1.66 1.78 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.82 4.07 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.51 4.70 0.00 1.65 1.69 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.62 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 0.00 0.00 0.00 0.00 82 I 7.26 3.54 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 1.31 1.40 0.94 0.00 0.00 83 K 8.54 4.35 0.00 1.85 1.71 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.38 7.81 84 Q 7.81 4.59 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.45 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 85 V 7.98 4.45 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 0.99 0.00 0.00 1.01 0.00 0.00 86 A 8.15 4.91 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 87 F 8.99 4.99 0.00 3.05 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 88 D 10.51 4.62 0.00 2.65 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 0.00 0.00 0.00 89 R 5.84 3.21 0.00 1.70 2.28 0.00 3.58 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 90 G 7.95 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.31 0.00 1.96 1.97 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 92 Y 8.95 3.53 0.00 3.25 3.31 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 93 K 8.49 3.11 0.00 1.76 1.76 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.32 7.81 94 Y 6.88 4.07 0.00 2.66 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 95 H 7.93 4.43 0.00 2.96 2.98 0.00 6.01 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.44 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 0.00 0.00 0.00 97 R 8.38 3.81 0.00 1.88 1.94 0.00 3.23 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 98 V 7.56 4.38 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 0.55 0.00 0.00 0.09 0.00 0.00 99 K 8.12 4.20 0.00 1.80 1.78 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.50 7.81 100 A 7.57 4.02 1.22 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 0.00 0.00 101 L 7.97 4.59 0.00 1.75 1.47 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.52 4.22 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 0.00 103 E 9.21 3.73 0.00 2.15 1.83 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 2.22 2.24 0.00 104 G 9.16 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 0.00 105 A 9.27 4.46 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 0.00 106 R 8.01 4.30 0.00 1.85 2.06 0.00 3.52 0.00 0.00 4.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 107 E 8.68 3.55 0.00 2.27 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 2.22 2.27 0.00 108 G 8.58 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 *109 G 7.90 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.