NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.4779 8.3293 120.8358 58.8809 31.5733 172.9866 11 P 4.4536 0.0000 0.0000 62.8186 32.8764 173.7995 12 L 4.9383 8.4072 122.9986 53.6620 44.7879 176.3680 13 M 5.0723 9.0746 125.7187 53.5010 36.2419 174.9760 14 V 4.8718 8.2204 120.2137 61.0816 35.4501 174.2052 15 K 5.0448 9.1806 127.8553 54.6393 35.7448 174.8167 16 V 4.7845 8.9289 126.8503 61.0766 34.4963 174.1352 17 L 5.0192 8.7777 126.8893 52.8896 45.7655 174.7723 18 D 5.1804 9.3506 121.7348 52.8146 42.5209 176.6098 19 A 4.3361 9.5372 128.4876 53.7289 18.8319 178.7246 20 V 3.8495 8.5520 114.7878 65.4553 31.9152 177.0488 21 R 4.2838 9.0125 116.5889 55.6189 30.9628 176.0409 22 G 3.8838 8.3065 105.6062 45.6028 0.0000 172.6960 23 S 4.7931 7.3338 111.4845 56.0210 66.8510 173.1685 24 P 4.6396 0.0000 0.0000 62.9808 31.6928 175.9685 25 A 4.3665 8.5113 123.9680 50.4206 19.3820 176.3175 26 I 4.3076 8.4111 122.6187 61.2792 38.9601 175.8380 27 N 4.2502 8.3922 122.0085 54.3846 36.5362 174.3566 28 V 4.0814 8.3326 118.6084 62.0900 33.1652 174.7345 29 A 4.7548 8.4796 129.3463 51.5588 20.4726 176.2034 30 V 4.7340 8.8149 121.5651 61.3954 35.1185 173.7920 31 H 5.0939 9.2373 124.9792 53.9266 31.7087 172.9588 32 V 4.8065 8.6070 123.7215 61.3709 33.6951 174.5366 33 F 5.5580 9.5018 125.3076 55.7629 43.3909 173.7284 34 R 4.7845 9.2444 121.8287 54.2573 32.7745 174.7854 35 K 4.1078 8.5470 127.3212 56.0694 32.4941 176.2256 36 A 4.5106 8.3221 128.6759 49.9113 21.2908 177.5442 37 A 4.0874 8.7812 123.6604 56.0691 18.0823 178.7623 *38 D 4.4687 6.8771 114.9181 53.6703 39.8205 178.8302 39 D 4.2786 7.8800 123.5495 54.3248 47.1624 176.6394 40 T 3.8175 7.4813 110.0410 62.1742 69.5318 172.8216 41 W 5.0109 8.6022 123.9687 55.8212 30.3398 175.4426 42 E 5.1712 9.2753 122.7005 53.4894 32.3255 173.7314 43 P 4.6510 0.0000 0.0000 63.5413 31.5384 175.5378 44 F 4.8683 8.7459 121.7592 59.5537 42.2442 174.4873 45 A 4.4759 7.5502 116.7405 51.4357 22.2300 175.1792 46 S 4.6668 7.5407 112.9841 57.4962 65.8415 174.1884 47 G 3.9335 7.0947 106.3866 46.4775 0.0000 171.6480 48 K 5.3232 8.2799 118.2227 54.2225 35.7540 176.9890 49 T 4.2376 8.6650 114.5304 61.7234 70.3400 175.0315 50 S 4.7646 8.7845 119.2141 57.5476 64.5406 174.5797 51 E 3.9749 8.6515 119.0080 59.2644 29.0933 178.2121 52 S 4.3405 7.8884 111.2728 57.9993 63.6745 174.7938 53 G 3.8265 8.2960 109.9031 45.4854 0.0000 172.6414 54 E 5.0746 7.7552 117.7048 54.0074 33.3673 175.0679 55 L 4.7721 8.5149 123.4299 53.9712 44.7654 174.9642 56 H 4.8618 8.6623 122.7246 54.5287 32.0618 174.4491 57 G 3.8724 8.7711 106.5180 46.4099 0.0000 174.9416 58 L 4.0120 8.0237 121.5554 57.1712 41.6870 176.7404 59 T 4.5717 7.3422 105.3002 59.5618 72.1416 172.6435 60 T 4.7478 8.0076 110.1610 59.4442 72.7836 174.2640 61 E 4.2034 8.9993 123.7011 60.4792 29.5467 179.6734 *62 E 4.1086 8.2848 116.8351 61.2162 29.7837 180.3358 63 E 4.6447 7.8086 118.0767 57.3307 31.0838 177.2360 64 F 5.0334 7.8997 121.6870 56.3313 37.4604 175.1320 65 V 4.0659 7.2785 116.0611 59.1234 33.3344 175.5267 66 E 4.6023 7.7947 119.9444 55.7217 30.0458 177.4908 67 G 3.8256 7.9826 109.3427 46.4157 0.0000 170.4835 68 I 4.8232 7.1528 120.2168 60.0595 39.0395 175.0084 69 Y 5.2006 8.6159 123.6612 55.9284 42.1372 174.3418 70 K 4.8014 9.1920 123.7386 54.5870 35.3204 174.7305 71 V 4.8956 9.2093 128.4684 61.2383 33.5043 173.8965 72 E 5.0683 9.5691 127.0408 54.5587 32.2710 174.8404 73 I 4.3924 8.6437 125.5760 59.2231 39.0383 175.7202 74 D 5.0912 8.8699 129.8719 54.0622 37.5491 176.4238 75 T 3.9767 7.7406 114.5599 63.8542 69.5978 176.5441 76 K 4.0795 7.7087 122.1201 59.9068 32.2156 178.8295 77 S 4.1709 8.5393 115.0972 61.5611 62.3854 175.9054 78 Y 4.0192 7.6522 121.0534 60.8229 38.4328 178.6089 79 W 4.2441 8.3168 122.0616 59.9434 29.0594 179.3955 80 K 3.9998 8.3651 123.6306 59.9390 30.9740 181.3907 81 A 4.1640 8.1863 121.3096 54.6135 18.2744 178.7541 82 L 4.3381 7.1787 113.4292 54.0199 41.9108 177.1981 83 G 3.9032 8.1521 109.4055 47.0057 0.0000 174.2570 *84 I 4.4007 7.7506 116.4992 57.4046 37.7312 178.5544 85 S 4.3682 8.5380 119.0137 56.7773 62.2070 171.8882 86 P 4.4726 0.0000 0.0000 61.3765 33.2231 175.3029 87 F 4.0642 8.4376 121.6578 60.3942 39.7689 176.2046 88 H 4.4325 7.7391 115.6549 54.7214 29.9330 175.2995 89 E 4.0151 8.6122 122.8687 59.4699 29.4434 176.2903 90 H 4.9685 7.6536 109.6194 55.6116 31.6948 171.9724 91 A 4.2699 8.3907 119.9236 50.2049 21.0429 175.9993 92 E 5.0257 8.4921 120.2718 54.4934 33.2565 175.4569 93 V 4.4491 9.1889 124.7500 61.1748 34.0944 174.1668 94 V 5.1823 8.6288 128.2173 61.1259 33.4740 174.4598 95 F 5.1633 9.1550 121.9436 55.9828 41.6977 173.2532 96 T 4.7697 8.7207 116.7233 62.8696 69.6481 174.0440 97 A 4.7637 9.0147 130.0809 51.5742 22.0692 177.2840 *98 N 4.1725 9.9862 119.9694 54.0916 36.0982 176.2143 *99 D 4.6124 7.9391 121.2523 57.6595 40.4366 182.6431 *100 S 4.6212 7.7815 115.6976 56.2151 62.0432 175.6810 101 G 3.9968 8.3796 117.2827 44.1473 0.0000 170.2583 *102 P 4.4640 0.0000 0.0000 62.0909 31.1900 172.2149 103 R 4.7494 8.2425 117.7917 54.4652 34.4219 174.5567 104 R 4.4248 8.1236 117.7015 56.0355 31.4875 175.6566 105 Y 5.0072 9.1096 121.5319 56.4395 41.1468 174.6393 106 T 4.9140 9.0178 121.2231 61.8722 71.3650 173.2424 107 I 4.6771 8.7438 127.8540 59.6697 39.1812 174.4306 108 A 5.2776 8.9697 129.4145 50.0222 21.7232 175.0146 109 A 5.1979 9.0380 123.2660 49.9134 22.9628 174.6964 110 L 5.1026 9.1614 123.4497 53.3301 44.9355 175.0019 111 L 5.3943 8.9926 126.6557 53.3578 44.2830 175.8977 112 S 5.1071 9.1663 118.1223 56.0833 67.1146 173.3087 113 P 3.3860 0.0000 0.0000 65.3583 31.0769 177.7812 114 Y 4.7188 7.7873 111.8090 57.2351 38.7046 174.9178 115 S 4.8375 8.2078 113.5136 57.7072 65.7062 172.5022 116 Y 5.6498 7.9708 121.7387 55.9753 40.6726 173.8405 117 S 4.7892 9.1801 114.9670 56.9529 66.6882 172.6854 118 T 5.2465 8.4515 114.8766 60.9402 70.5642 172.4423 119 T 4.8490 9.1249 120.5413 60.4156 71.7475 171.8973 120 A 5.1166 8.5590 126.1699 50.0175 21.6830 175.7394 121 V 4.2088 8.6603 122.6707 61.1203 33.7003 174.5186 122 V 4.7056 8.3566 128.3215 61.1401 33.7752 175.2531 123 T 4.2270 8.7112 117.9733 62.0153 68.9452 173.6821 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 10 C 8.33 4.48 0.00 2.91 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 11 P 0.00 4.45 0.00 2.52 2.58 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.15 0.00 12 L 8.41 4.94 0.00 0.59 1.08 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.07 5.07 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 14 V 8.22 4.87 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 0.88 0.00 0.00 0.90 0.00 0.00 15 K 9.18 5.04 0.00 1.78 1.55 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.31 7.81 16 V 8.93 4.78 1.88 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 0.77 0.00 0.00 0.81 0.00 0.00 17 L 8.78 5.02 0.00 1.61 1.51 0.93 0.62 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 18 D 9.35 5.18 0.00 2.69 2.75 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 19 A 9.54 4.34 1.41 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 0.00 0.00 0.00 20 V 8.55 3.85 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 0.94 0.00 0.00 0.94 0.00 0.00 21 R 9.01 4.28 0.00 1.88 2.02 0.00 3.40 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.13 0.00 22 G 8.31 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 0.00 0.00 0.00 23 S 7.33 4.79 0.00 3.89 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 24 P 0.00 4.64 0.00 2.11 2.16 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 25 A 8.51 4.37 0.59 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 26 I 8.41 4.31 1.91 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 1.58 0.79 0.99 0.00 0.00 27 N 8.39 4.25 0.00 2.90 2.94 0.00 0.00 6.91 7.60 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 28 V 8.33 4.08 1.88 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 0.82 0.00 0.00 0.45 0.00 0.00 29 A 8.48 4.75 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 30 V 8.81 4.73 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 0.92 0.00 0.00 0.90 0.00 0.00 31 H 9.24 5.09 0.00 3.11 2.68 0.00 5.84 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.61 4.81 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 1.27 0.00 0.00 0.96 0.00 0.00 33 F 9.50 5.56 0.00 2.87 3.22 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 34 R 9.24 4.78 0.00 1.49 1.64 0.00 2.73 0.00 0.00 2.91 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 35 K 8.55 4.11 0.00 1.21 1.21 0.00 1.28 0.00 0.00 1.27 0.00 0.00 2.67 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.75 0.21 7.81 36 A 8.32 4.51 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 37 A 8.78 4.09 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 *38 D 6.88 4.47 0.00 2.90 2.39 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 39 D 7.88 4.28 0.00 2.43 2.44 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 0.00 40 T 7.48 3.82 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 1.16 0.00 0.00 41 W 8.60 5.01 0.00 3.02 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 42 E 9.28 5.17 0.00 2.14 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 2.50 2.37 0.00 43 P 0.00 4.65 0.00 2.11 2.14 0.00 3.88 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 2.08 2.09 0.00 44 F 8.75 4.87 0.00 3.12 3.29 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 0.00 45 A 7.55 4.48 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 46 S 7.54 4.67 0.00 3.55 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 47 G 7.09 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 48 K 8.28 5.32 0.00 1.55 1.63 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.35 7.81 49 T 8.67 4.24 4.05 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 1.15 0.00 0.00 50 S 8.78 4.76 0.00 3.96 4.01 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 51 E 8.65 3.97 0.00 1.96 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 2.30 2.24 0.00 52 S 7.89 4.34 0.00 3.99 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 53 G 8.30 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 0.00 0.00 0.00 54 E 7.76 5.07 0.00 1.74 1.48 0.00 0.00 0.00 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 2.37 0.00 55 L 8.51 4.77 0.00 1.63 1.40 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.66 4.86 0.00 3.00 3.11 0.00 5.84 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 57 G 8.77 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 58 L 8.02 4.01 0.00 1.56 1.68 0.87 0.75 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 59 T 7.34 4.57 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 1.44 0.00 0.00 60 T 8.01 4.75 4.27 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 1.20 0.00 0.00 61 E 9.00 4.20 0.00 2.03 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 0.00 2.42 2.41 0.00 *62 E 8.28 4.11 0.00 2.06 1.88 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 2.23 1.95 0.00 63 E 7.81 4.64 0.00 2.16 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 0.00 2.51 2.34 0.00 64 F 7.90 5.03 0.00 3.25 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 V 7.28 4.07 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 0.84 0.00 0.00 0.94 0.00 0.00 66 E 7.79 4.60 0.00 1.80 1.88 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 2.35 2.18 0.00 67 G 7.98 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 0.00 0.00 0.00 68 I 7.15 4.82 1.69 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 1.13 0.00 0.00 69 Y 8.62 5.20 0.00 1.84 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 70 K 9.19 4.80 0.00 0.79 0.74 0.00 1.47 0.00 0.00 1.00 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.08 7.81 71 V 9.21 4.90 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 0.84 0.00 0.00 1.15 0.00 0.00 72 E 9.57 5.07 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 2.33 2.19 0.00 73 I 8.64 4.39 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.56 0.76 0.00 0.00 74 D 8.87 5.09 0.00 2.71 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 75 T 7.74 3.98 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 76 K 7.71 4.08 0.00 2.33 1.90 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.53 7.81 77 S 8.54 4.17 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.65 4.02 0.00 2.86 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 79 W 8.32 4.24 0.00 3.50 3.32 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 80 K 8.37 4.00 0.00 1.77 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.34 7.81 81 A 8.19 4.16 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 82 L 7.18 4.34 0.00 1.81 1.70 0.50 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.15 3.90 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 0.00 0.00 0.00 *84 I 7.75 4.40 1.87 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 1.18 0.84 0.91 0.00 0.00 85 S 8.54 4.37 0.00 3.84 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 86 P 0.00 4.47 0.00 2.27 2.17 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.23 0.00 87 F 8.44 4.06 0.00 1.69 2.78 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 88 H 7.74 4.43 0.00 3.22 3.38 0.00 5.96 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.61 4.02 0.00 1.74 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 2.13 0.00 90 H 7.65 4.97 0.00 3.20 3.23 0.00 5.11 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 91 A 8.39 4.27 0.23 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 92 E 8.49 5.03 0.00 1.82 1.78 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 2.36 2.31 0.00 93 V 9.19 4.45 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 1.00 0.00 0.00 94 V 8.63 5.18 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 1.13 0.00 0.00 0.88 0.00 0.00 95 F 9.16 5.16 0.00 3.15 3.09 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 96 T 8.72 4.77 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 1.28 0.00 0.00 97 A 9.01 4.76 0.72 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 0.00 0.00 *98 N 9.99 4.17 0.00 2.79 2.83 0.00 0.00 6.85 7.94 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 *99 D 7.94 4.61 0.00 2.70 2.61 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 *100 S 7.78 4.62 0.00 3.58 3.67 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 0.00 101 G 8.38 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 0.00 0.00 0.00 *102 P 0.00 4.46 0.00 2.10 1.85 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 103 R 8.24 4.75 0.00 1.09 1.82 0.00 3.23 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 104 R 8.12 4.42 0.00 1.69 1.80 0.00 3.23 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 105 Y 9.11 5.01 0.00 3.01 2.75 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 0.00 106 T 9.02 4.91 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 1.20 0.00 0.00 107 I 8.74 4.68 1.81 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.92 0.86 0.00 0.00 108 A 8.97 5.28 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 0.00 109 A 9.04 5.20 1.19 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 0.00 0.00 110 L 9.16 5.10 0.00 1.77 1.58 0.98 0.51 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 0.00 111 L 8.99 5.39 0.00 1.83 1.99 0.52 0.80 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 0.00 112 S 9.17 5.11 0.00 3.96 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 0.00 113 P 0.00 3.39 0.00 2.02 1.86 0.00 3.27 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.50 0.00 114 Y 7.79 4.72 0.00 2.72 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 0.00 115 S 8.21 4.84 0.00 3.84 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 0.00 116 Y 7.97 5.65 0.00 3.11 2.93 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 0.00 117 S 9.18 4.79 0.00 3.89 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 0.00 118 T 8.45 5.25 4.47 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 1.33 0.00 0.00 119 T 9.12 4.85 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 1.21 0.00 0.00 120 A 8.56 5.12 1.16 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 0.00 0.00 121 V 8.66 4.21 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 0.94 0.00 0.00 0.92 0.00 0.00 122 V 8.36 4.71 1.98 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 0.50 0.00 0.00 0.91 0.00 0.00 123 T 8.71 4.23 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.