NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5065 8.1749 117.3744 63.5285 70.1097 173.0126 2 S 4.6026 9.5266 120.7969 55.1369 66.5032 171.6305 3 I 5.3288 8.1663 117.9782 59.7374 41.2329 173.8265 4 M 4.8256 8.7433 119.1826 54.6497 34.9084 173.1996 5 A 5.1538 8.4202 120.7150 50.3858 22.4707 175.5488 6 V 4.5302 8.8182 122.3748 61.1400 34.5563 175.0297 7 T 4.7754 8.6855 118.0766 61.0902 70.1144 173.5285 8 F 4.9770 8.7920 117.9407 55.2045 41.4553 175.5848 9 K 3.9379 8.6934 121.8769 59.6269 31.9490 176.6044 10 D 4.5995 7.3272 114.6259 53.6282 42.8516 177.6203 11 G 4.4637 5.3800 110.8870 45.4769 0.0000 175.8371 12 V 5.1256 8.0590 119.4062 60.4020 33.8849 172.7419 13 I 4.6818 8.7557 121.4111 59.6507 41.0322 174.1872 14 L 5.0719 8.6166 126.1416 53.0866 43.6410 176.0338 15 G 4.3537 9.0068 109.7887 44.8130 0.0000 171.1456 16 A 5.1808 8.1192 120.0381 50.9977 22.0670 176.4671 17 D 4.7559 8.5219 120.3004 52.4358 41.9324 176.6337 18 S 4.8391 8.4055 112.3401 58.2886 64.9110 172.7335 19 R 5.0802 8.5347 121.0522 55.5672 31.5051 175.5872 20 T 4.7974 8.9075 116.2707 60.0964 71.6687 172.9921 21 T 5.1637 8.6660 115.1463 60.0076 72.4250 174.1109 22 T 4.4668 8.7622 112.1639 60.5855 70.3628 174.6806 23 G 4.0716 8.3507 121.0301 46.9164 0.0000 172.9315 24 A 4.4872 8.6790 127.2773 51.7283 19.5989 176.3224 25 Y 4.3969 7.6982 119.0984 56.5675 39.5783 174.7726 26 I 4.1979 7.3687 128.0288 59.7401 36.4493 175.3283 27 A 4.0661 8.3138 129.1277 54.2715 18.6978 177.4942 28 N 4.8784 8.1860 114.2102 51.9803 41.5200 174.5715 29 R 4.5316 8.6334 120.5973 56.3380 30.4652 176.3332 30 V 4.5871 7.9332 112.4718 61.3273 32.3406 176.2870 31 T 3.9868 8.4017 116.8730 64.0222 69.3384 174.3419 32 D 4.7960 8.6199 124.0886 52.7389 42.2280 175.4172 33 K 4.3602 8.6317 124.0485 56.5580 33.5739 176.4236 34 L 4.8417 8.2093 121.6170 53.9556 41.8844 175.6067 35 T 4.5020 8.8594 121.3996 61.7408 70.8843 173.9165 36 R 3.4457 7.8574 126.2802 55.0097 30.3490 176.2340 37 V 4.1946 7.8819 118.7007 61.5487 33.5865 174.8660 38 H 4.5081 7.7170 117.2469 55.2157 32.4846 173.9375 39 D 4.5860 8.4117 123.6972 56.9266 40.8312 179.4191 40 K 5.0745 8.1586 117.4090 56.1714 33.9596 175.8748 41 I 5.2163 8.5078 120.8761 59.8014 40.9459 174.9920 42 W 5.3988 9.6495 126.7423 54.9770 33.6514 174.0018 43 C 5.3011 9.5743 114.7344 57.3567 33.2361 172.5450 44 C 5.2310 9.1836 118.0258 58.2792 30.1427 173.0132 45 R 5.0677 8.3612 122.7230 54.6481 31.5331 175.9337 46 S 4.5000 8.8945 116.5141 57.9802 66.7956 173.5192 47 G 3.9578 8.7454 105.6345 44.0346 0.0000 172.7212 48 S 4.0918 9.2196 115.9197 58.2283 62.9846 176.0859 49 A 4.1008 8.8506 129.8715 55.0989 18.1367 179.1478 50 A 3.9384 7.9251 118.7777 55.3848 18.5346 179.3213 51 D 4.3089 8.1461 117.5498 57.9228 40.9742 179.3143 52 T 3.9698 8.4359 110.5636 64.8385 68.6400 176.5797 53 Q 3.9864 8.2799 120.6820 58.7546 28.7727 178.4977 54 A 4.0017 8.0506 121.7979 55.1189 18.2975 179.8233 55 I 3.6172 8.0837 118.1824 64.4720 37.2541 178.4928 56 A 4.0005 8.5108 122.0040 55.2494 18.3104 179.2005 57 D 4.3165 8.4032 117.7220 57.8146 40.8624 179.3549 58 I 3.7461 7.7005 120.0536 64.2268 36.9945 178.6860 59 V 3.4102 7.8775 119.3815 66.0130 31.2985 177.7014 60 Q 4.0457 8.3997 119.6828 59.3793 28.8019 177.8862 61 Y 4.0128 7.9584 120.1759 61.1144 38.8239 177.6221 62 H 3.8118 8.4320 117.3157 58.8988 28.7032 177.8286 63 L 3.9902 8.1862 120.9039 57.4218 41.4247 179.0663 64 E 3.9202 8.1810 119.5105 59.1622 29.4433 178.7079 65 L 3.7905 7.7049 120.4035 58.0153 42.0167 178.0354 66 Y 3.9407 8.1848 119.8276 61.1318 38.4644 178.4689 67 T 4.6338 8.0667 116.8414 66.4970 68.6794 176.3714 68 S 4.1544 7.7224 115.7441 61.2571 62.8303 175.9897 69 Q 4.1078 7.0817 118.6581 56.4197 29.5625 176.0940 70 Y 4.4972 7.5900 115.4923 57.6911 39.3594 175.4900 *72 G 4.2822 7.5258 108.8806 45.5120 0.0000 172.0680 73 T 4.2469 8.5469 115.8853 63.3013 68.8012 172.4216 74 P 4.3705 0.0000 0.0000 61.8831 32.5079 176.6349 75 S 4.4454 8.0559 115.6254 58.1304 65.1952 175.4827 76 T 3.9081 8.2070 118.1806 66.5503 68.1526 176.6366 77 E 3.9999 8.1050 120.8929 59.6080 29.6894 178.8904 78 T 3.7912 8.0646 115.5718 66.4975 68.4812 176.4958 79 A 3.9704 7.7787 122.4821 55.1523 18.3392 179.5852 80 A 4.1343 8.1399 119.3569 55.1401 18.4094 179.8279 81 S 4.0190 8.0333 111.8664 61.4991 62.5172 176.5863 82 V 3.4967 7.8083 120.7975 65.9973 31.2374 177.7315 83 F 4.0374 8.1872 117.4959 60.6000 38.7849 177.6173 84 K 3.9963 8.5714 119.3454 59.4916 32.0211 178.1620 85 E 4.0045 8.7086 119.9462 59.4325 29.3608 178.8941 86 L 4.0070 8.0119 118.6634 58.2504 41.5487 179.4465 87 C 4.2553 8.2016 115.2800 62.6281 28.2631 175.4158 88 Y 4.2271 8.5639 121.7670 60.6471 38.3995 177.1145 89 E 3.9056 8.2418 119.2856 58.5038 29.5727 177.0311 90 N 5.0361 7.8508 116.2042 52.3755 39.3359 176.5533 91 K 3.6831 7.7862 120.8008 60.0481 32.7918 177.7989 92 D 4.3382 7.5769 118.6094 56.6971 40.9395 177.3599 *94 N 5.0703 7.8520 114.6146 52.6764 39.9944 173.8006 95 L 5.1116 7.7287 116.0141 53.7302 45.9033 176.7625 96 T 4.7431 8.8747 117.0090 61.4067 69.4562 171.0588 97 A 4.9749 8.2736 123.6995 49.7286 22.5187 175.7130 98 G 4.1402 9.4106 110.4301 43.7769 0.0000 171.8187 99 I 5.0217 8.3003 126.7638 58.9469 40.4004 175.3078 100 I 4.3271 8.3855 126.9615 59.5721 39.3714 174.5861 101 V 4.6305 8.3016 127.1628 61.2679 32.8617 174.7705 102 A 4.8523 9.1941 129.2859 50.4190 22.4212 174.8718 103 G 4.5590 8.5920 106.3481 45.8832 0.0000 171.4189 104 Y 4.7833 8.6764 122.8658 55.4723 40.8264 175.2776 105 D 4.0200 7.1388 124.1825 54.2804 41.6999 174.7889 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 1 T 8.17 4.51 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 1.26 0.00 0.00 2 S 9.53 4.60 0.00 3.70 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 3 I 8.17 5.33 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 0.65 0.92 0.00 0.00 4 M 8.74 4.83 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 5 A 8.42 5.15 1.20 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 0.00 0.00 6 V 8.82 4.53 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 1.04 0.00 0.00 0.93 0.00 0.00 7 T 8.69 4.78 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 1.23 0.00 0.00 8 F 8.79 4.98 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 9 K 8.69 3.94 0.00 1.81 2.03 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.53 7.81 10 D 7.33 4.60 0.00 2.53 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 11 G 5.38 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.06 5.13 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 0.77 0.00 0.00 1.04 0.00 0.00 13 I 8.76 4.68 1.82 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 0.82 0.00 0.00 14 L 8.62 5.07 0.00 1.45 1.59 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.01 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 16 A 8.12 5.18 1.20 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 0.00 0.00 17 D 8.52 4.76 0.00 2.71 2.72 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 18 S 8.41 4.84 0.00 3.99 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 19 R 8.53 5.08 0.00 1.81 2.03 0.00 3.18 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 20 T 8.91 4.80 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 21 T 8.67 5.16 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 1.19 0.00 0.00 22 T 8.76 4.47 4.30 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 1.27 0.00 0.00 23 G 8.35 4.07 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 0.00 24 A 8.68 4.49 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 25 Y 7.70 4.40 0.00 2.99 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 26 I 7.37 4.20 1.56 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 1.24 0.54 0.85 0.00 0.00 27 A 8.31 4.07 1.36 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 0.00 0.00 28 N 8.19 4.88 0.00 2.69 2.60 0.00 0.00 6.88 7.53 0.00 0.00 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 R 8.63 4.53 0.00 1.90 1.93 0.00 3.00 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 30 V 7.93 4.59 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 8.40 3.99 4.32 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 1.23 0.00 0.00 32 D 8.62 4.80 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 4.36 0.00 1.78 1.83 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.49 7.81 34 L 8.21 4.84 0.00 1.89 1.92 0.95 0.88 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 35 T 8.86 4.50 4.30 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 1.19 0.00 0.00 36 R 7.86 3.45 0.00 0.67 1.13 0.00 3.07 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 37 V 7.88 4.19 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 0.89 0.00 0.00 1.10 0.00 0.00 38 H 7.72 4.51 0.00 3.14 3.13 0.00 5.91 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.41 4.59 0.00 2.73 2.82 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 40 K 8.16 5.07 0.00 1.85 1.97 0.00 1.80 0.00 0.00 2.07 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.59 7.81 41 I 8.51 5.22 1.99 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 1.32 1.18 1.03 0.00 0.00 42 W 9.65 5.40 0.00 3.23 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 43 C 9.57 5.30 0.00 2.70 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 44 C 9.18 5.23 0.00 2.82 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 45 R 8.36 5.07 0.00 1.71 1.87 0.00 3.19 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 S 8.89 4.50 0.00 3.86 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 47 G 8.75 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 9.22 4.09 0.00 3.84 3.91 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 49 A 8.85 4.10 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 50 A 7.93 3.94 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 51 D 8.15 4.31 0.00 2.91 2.76 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 52 T 8.44 3.97 4.30 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 1.30 0.00 0.00 53 Q 8.28 3.99 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 54 A 8.05 4.00 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 55 I 8.08 3.62 2.13 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 1.51 0.90 1.06 0.00 0.00 56 A 8.51 4.00 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 57 D 8.40 4.32 0.00 2.91 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 58 I 7.70 3.75 2.07 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 1.34 0.64 1.00 0.00 0.00 59 V 7.88 3.41 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 -0.10 0.00 0.00 60 Q 8.40 4.05 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 61 Y 7.96 4.01 0.00 3.12 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 62 H 8.43 3.81 0.00 3.33 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.19 3.99 0.00 1.65 1.62 0.92 0.83 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 64 E 8.18 3.92 0.00 2.02 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 2.24 2.29 0.00 65 L 7.70 3.79 0.00 1.33 1.47 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.18 3.94 0.00 3.27 3.11 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 67 T 8.07 4.63 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 1.28 0.00 0.00 68 S 7.72 4.15 0.00 3.89 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 69 Q 7.08 4.11 0.00 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.12 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 70 Y 7.59 4.50 0.00 2.31 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *72 G 7.53 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 0.00 0.00 0.00 0.00 73 T 8.55 4.25 4.31 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 1.27 0.00 0.00 74 P 0.00 4.37 0.00 1.71 1.16 0.00 3.62 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 1.68 1.62 0.00 75 S 8.06 4.45 0.00 4.03 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 76 T 8.21 3.91 4.22 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 1.26 0.00 0.00 77 E 8.10 4.00 0.00 2.00 1.91 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 2.35 2.39 0.00 78 T 8.06 3.79 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 0.83 0.00 0.00 79 A 7.78 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 80 A 8.14 4.13 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 81 S 8.03 4.02 0.00 4.01 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 82 V 7.81 3.50 1.96 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 0.80 0.00 0.00 0.88 0.00 0.00 83 F 8.19 4.04 0.00 3.42 3.07 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 84 K 8.57 4.00 0.00 1.84 2.11 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.59 7.81 85 E 8.71 4.00 0.00 2.28 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 2.33 2.46 0.00 86 L 8.01 4.01 0.00 1.99 1.74 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.20 4.26 0.00 3.05 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 88 Y 8.56 4.23 0.00 2.99 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 89 E 8.24 3.91 0.00 2.36 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 2.39 2.37 0.00 90 N 7.85 5.04 0.00 2.89 2.74 0.00 0.00 6.59 7.79 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 91 K 7.79 3.68 0.00 1.84 2.01 0.00 1.43 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.39 1.30 7.81 92 D 7.58 4.34 0.00 2.63 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 *94 N 7.85 5.07 0.00 2.73 2.87 0.00 0.00 7.04 7.85 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 95 L 7.73 5.11 0.00 1.58 1.52 0.99 0.86 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 96 T 8.87 4.74 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 97 A 8.27 4.97 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 98 G 9.41 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 0.00 0.00 0.00 0.00 99 I 8.30 5.02 1.70 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.33 0.00 0.00 100 I 8.39 4.33 1.84 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 1.08 0.60 0.89 0.00 0.00 101 V 8.30 4.63 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 0.82 0.00 0.00 0.53 0.00 0.00 102 A 9.19 4.85 1.25 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 0.00 103 G 8.59 4.56 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 0.00 0.00 0.00 104 Y 8.68 4.78 0.00 3.02 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 0.00 105 D 7.14 4.02 0.00 2.42 2.17 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 * Residues marked with a * may have inaccurate shift predictions.