NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.5556 8.2393 119.7092 56.1580 31.7215 175.7603 12 T 4.0545 8.7549 113.3300 60.2425 70.8646 173.2364 13 P 4.2385 0.0000 0.0000 66.1403 31.6668 179.3139 14 Y 4.0346 8.1141 117.4966 61.0517 38.6568 178.2440 15 Q 4.0596 8.3270 118.8189 58.8722 28.8165 178.8353 16 I 3.6303 7.8825 120.9735 64.3116 37.1749 178.6921 17 V 2.8469 7.7738 118.9729 65.5940 31.1929 177.7119 18 A 4.0008 7.9560 120.9209 55.4632 18.1462 179.3274 19 D 4.2363 8.3437 117.5902 57.5725 40.7540 178.4411 20 H 3.9313 7.7817 118.5660 59.5855 29.5823 176.9772 21 Y 4.2648 7.8126 118.1494 60.9588 37.6436 178.4515 22 A 4.0301 8.3826 121.7994 55.1638 18.5290 179.5789 23 A 3.9193 8.0756 119.3110 55.1631 18.4094 179.8045 24 S 4.0048 8.1972 111.9625 61.7328 62.3001 176.1407 25 D 4.4320 8.1862 120.4056 56.9842 40.6048 178.0529 26 R 4.2480 7.5014 115.3772 55.2542 30.7672 175.7598 27 H 4.0059 7.8339 115.0481 57.2439 26.7459 175.4443 28 D 4.7511 7.7848 119.5748 51.4567 41.0072 173.3152 29 P 4.0674 0.0000 0.0000 65.1632 31.8881 178.2559 30 A 3.9721 8.1752 120.7340 55.0545 18.2804 178.6617 31 A 4.0832 7.8060 120.5204 52.1423 16.0023 176.4607 *34 A 4.3489 8.0651 123.4391 51.6439 20.8836 177.6122 35 D 4.9192 7.7611 112.5340 54.1136 42.5309 176.3689 36 I 4.4705 7.7185 120.6569 61.2314 37.6812 175.8356 37 A 4.3837 9.0029 129.5433 50.8195 19.3046 176.7915 38 P 4.2065 0.0000 0.0000 65.3025 31.5596 177.6200 39 A 4.2537 7.9594 118.5806 52.4874 18.8659 177.0517 40 I 4.0213 7.6910 117.8374 61.9370 39.4397 174.5726 41 E 4.8356 9.2759 127.7814 54.5504 32.5927 174.8500 42 W 5.0313 9.3507 135.0000 56.0866 33.0755 174.4670 43 T 5.0866 8.8880 125.8321 61.2121 69.8628 173.0950 44 E 4.5793 9.2693 135.0000 56.4859 30.7941 179.1010 *46 A 4.2066 8.8735 128.1449 53.2144 20.0817 177.9195 47 G 3.8493 7.9961 100.9045 46.1471 0.0000 173.5230 48 F 4.4719 7.9419 123.2019 56.5346 40.3376 174.3067 49 P 4.0966 0.0000 0.0000 66.0008 31.0370 176.7208 50 C 4.5292 7.8872 113.8221 59.4964 28.0662 172.8331 51 A 4.0702 7.6310 122.5212 51.3545 18.4097 178.5249 52 G 4.0236 7.1578 109.2282 44.2760 0.0000 171.5109 53 T 4.7432 7.3953 116.4956 61.7981 70.2918 173.5888 54 Y 4.8290 8.8724 125.0144 56.6111 39.6702 176.4803 55 R 5.4906 9.2147 121.7809 54.0966 31.5956 175.8892 56 S 4.6413 7.7819 110.9578 56.1167 66.6581 174.6183 57 A 3.8739 8.5296 124.9593 55.4023 18.0401 179.4881 58 D 4.2207 8.0499 115.8928 57.6915 41.3017 178.2857 59 E 3.9115 8.2333 118.8773 59.3752 29.4361 179.4741 60 I 3.0483 7.5718 119.7922 64.0279 37.0646 178.6510 61 V 3.6011 7.8728 119.3575 66.0923 29.8026 178.3821 62 R 3.8292 8.1120 117.8730 59.0680 29.8480 178.1777 63 N 4.2935 8.0791 113.4324 54.1672 39.2015 175.3594 64 V 3.8986 6.9717 116.8678 64.2067 33.7017 177.1243 65 F 4.0010 8.0221 116.6023 60.4610 39.0289 177.8813 66 R 3.9144 8.6003 118.7213 59.4293 29.8855 178.5600 67 R 4.0173 7.4187 117.5779 59.3616 30.1262 178.3365 68 L 4.2219 8.1754 119.1878 58.0032 41.3974 179.8747 69 G 3.7488 8.0220 104.2703 47.8186 0.0000 175.3415 70 E 4.1480 8.3554 120.2533 58.7381 29.7814 178.3369 71 E 4.1908 8.4845 116.8269 55.3557 30.3518 175.7805 72 W 5.3766 7.7322 118.0173 54.7180 33.1398 173.9166 73 D 4.7946 9.7227 122.1081 53.8411 41.6347 176.8229 74 G 3.8872 9.0290 114.8059 46.5113 0.0000 172.5897 75 Y 4.1399 8.4520 121.0155 58.0494 39.3724 175.4001 76 T 4.9364 8.6027 123.0663 61.7254 73.0052 172.5362 77 F 5.5794 9.1987 126.9666 56.3842 42.2442 174.2286 78 K 4.1792 8.0150 125.3215 54.1074 34.6418 175.0441 79 L 3.9465 7.9855 127.8714 54.9875 42.0116 175.6958 80 D 4.7664 9.3631 125.7357 55.4878 43.1559 176.3111 81 A 4.7216 7.5537 117.6505 50.2135 23.1726 175.0586 82 L 4.9230 8.2990 121.0259 53.9034 45.0331 175.0261 83 H 5.0139 9.5620 124.4013 54.2562 31.1934 173.5007 84 D 5.0992 8.9936 123.4148 52.5695 41.4670 175.9982 85 A 4.8163 8.7305 132.9864 51.7863 21.2457 179.1734 86 G 3.9608 8.4928 116.7044 48.0042 0.0000 176.9970 87 D 4.5537 9.2053 128.8834 55.8461 41.6744 175.2446 88 T 5.1982 7.7797 116.4683 61.7501 71.1909 173.6207 89 V 5.0806 9.0465 124.9743 61.2191 35.5756 174.0757 90 I 5.1104 9.1198 128.0110 59.6835 40.1063 174.6632 91 G 4.6291 9.4116 115.1026 44.2134 0.0000 172.4860 92 V 4.8942 8.4488 123.1570 61.1420 35.0885 174.7307 93 G 3.9170 8.5104 112.9934 46.5726 0.0000 171.9113 94 R 5.1645 7.8814 119.9105 54.7436 34.4731 174.5057 95 Y 5.5318 8.9308 120.9926 57.0880 40.6382 174.7618 96 S 4.1227 7.4195 115.0781 56.5144 67.1927 173.1163 97 G 4.3500 6.8062 108.4397 46.7338 0.0000 171.4712 98 T 5.5364 8.3726 116.8878 61.6913 71.6879 173.3309 99 Y 3.8049 9.2777 128.8464 56.7130 39.7064 176.3750 100 R 3.8074 8.1156 127.3459 59.3213 30.4798 179.3382 101 R 3.6820 6.9427 115.8101 58.6047 30.0821 177.4411 102 T 4.2892 7.2038 103.3210 60.5524 70.0848 175.3620 103 G 3.9294 8.1448 109.4906 46.0850 0.0000 173.2103 104 K 4.6819 7.9079 119.2372 55.1166 33.8174 176.3568 105 S 5.6568 8.7349 118.4725 57.1592 65.7253 172.6318 106 F 5.2066 8.9033 114.6028 55.6531 41.7456 172.8209 107 E 4.8226 8.7310 119.2767 55.0065 32.7745 173.5591 108 C 4.8392 9.1189 119.7604 57.6541 33.8914 172.9710 109 R 4.9867 8.5753 117.8909 55.9522 31.7298 176.1481 110 V 4.8591 8.3186 118.6770 60.6672 35.0482 172.6691 111 A 5.1776 9.1598 124.6691 50.4947 22.4234 174.6077 112 H 4.9760 9.3998 118.0622 53.8224 32.3355 172.8898 113 V 4.5731 8.1934 123.3001 60.9469 33.5508 174.3504 114 W 5.3787 9.3579 127.7824 54.9667 32.4783 174.6873 115 R 5.2043 9.1930 122.6372 54.6488 33.1521 173.9863 116 V 4.9821 8.7309 125.0601 61.1966 34.6642 174.5210 117 D 4.5322 8.9597 125.7132 53.3200 43.5344 175.1985 118 A 4.0191 9.8892 131.0569 53.3472 16.0261 177.5526 119 G 4.0179 8.6534 106.9016 46.1816 0.0000 173.9353 120 K 4.7929 7.7120 118.4024 54.1304 35.4041 175.2873 121 I 4.5179 8.8363 124.0358 61.6888 37.8021 176.8417 122 V 4.5259 9.2971 119.4496 61.4707 34.4084 174.9251 123 H 5.4793 8.1596 120.1222 54.7029 33.6381 171.6716 124 F 4.5901 8.7301 126.4596 56.3228 43.0793 172.7086 125 E 4.2752 7.3419 125.3845 54.2910 33.1073 173.4269 126 Q 4.3430 7.6942 128.0577 54.7064 30.7467 175.0256 127 F 4.6726 9.1711 124.2698 56.1195 42.1397 173.6332 128 T 5.1162 8.2387 116.8725 58.4465 71.4166 174.5835 129 D 4.7400 8.6797 123.8461 53.1222 38.8036 176.1385 130 T 4.0195 8.0380 114.9562 63.9962 69.0604 176.2404 131 L 3.9123 7.8952 122.9041 58.1457 42.0354 178.6805 132 L 4.1946 7.5170 116.1545 57.8069 41.7121 179.4568 133 V 2.9270 7.6996 117.9022 65.7241 31.2218 177.9037 134 A 3.8826 7.8434 119.3140 55.2573 18.2097 179.2278 135 Q 4.2752 8.0606 115.6276 58.8269 28.9061 179.9051 136 A 4.2822 7.4948 121.2114 50.9981 18.8356 177.1670 *138 Q 4.0053 7.6807 119.1660 56.4561 30.1440 174.0333 139 P 4.4356 0.0000 0.0000 63.0116 31.3107 176.1528 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 R 8.24 4.56 0.00 1.83 1.95 0.00 3.22 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 12 T 8.75 4.05 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 1.23 0.00 0.00 13 P 0.00 4.24 0.00 2.42 2.22 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 14 Y 8.11 4.03 0.00 3.02 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 15 Q 8.33 4.06 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 16 I 7.88 3.63 1.96 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 1.39 1.08 0.85 0.00 0.00 17 V 7.77 2.85 1.70 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 -0.02 0.00 0.00 0.51 0.00 0.00 18 A 7.96 4.00 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 19 D 8.34 4.24 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.78 3.93 0.00 2.99 2.87 0.00 5.78 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 21 Y 7.81 4.26 0.00 3.22 3.03 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 22 A 8.38 4.03 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 23 A 8.08 3.92 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 24 S 8.20 4.00 0.00 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 0.00 25 D 8.19 4.43 0.00 2.89 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 26 R 7.50 4.25 0.00 1.87 1.94 0.00 3.30 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.93 0.00 27 H 7.83 4.01 0.00 3.33 3.38 0.00 5.61 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.78 4.75 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.07 0.00 2.08 1.98 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 30 A 8.18 3.97 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 31 A 7.81 4.08 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 *34 A 8.07 4.35 1.35 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 35 D 7.76 4.92 0.00 2.59 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 36 I 7.72 4.47 1.91 0.00 0.00 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 1.38 0.79 1.00 0.00 0.00 37 A 9.00 4.38 1.35 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 38 P 0.00 4.21 0.00 2.08 2.15 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 39 A 7.96 4.25 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 40 I 7.69 4.02 2.13 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 1.03 0.00 0.00 41 E 9.28 4.84 0.00 2.01 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 2.25 2.42 0.00 42 W 9.35 5.03 0.00 3.53 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 43 T 8.89 5.09 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 1.07 0.00 0.00 44 E 9.27 4.58 0.00 2.27 1.66 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 0.00 2.78 2.83 0.00 *46 A 8.87 4.21 1.29 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 0.00 0.00 47 G 8.00 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.94 4.47 0.00 3.08 2.96 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 49 P 0.00 4.10 0.00 2.08 2.06 0.00 2.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.79 0.00 50 C 7.89 4.53 0.00 3.43 3.04 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 51 A 7.63 4.07 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 52 G 7.16 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 0.00 0.00 0.00 53 T 7.40 4.74 4.12 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 1.19 0.00 0.00 54 Y 8.87 4.83 0.00 2.99 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 55 R 9.21 5.49 0.00 1.78 1.91 0.00 3.17 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 56 S 7.78 4.64 0.00 4.01 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 57 A 8.53 3.87 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 58 D 8.05 4.22 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 59 E 8.23 3.91 0.00 2.28 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 0.00 2.40 2.38 0.00 60 I 7.57 3.05 1.55 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.54 -0.31 0.00 0.00 61 V 7.87 3.60 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 0.99 0.00 0.00 0.84 0.00 0.00 62 R 8.11 3.83 0.00 1.91 1.90 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 63 N 8.08 4.29 0.00 2.08 2.68 0.00 0.00 6.85 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 64 V 6.97 3.90 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.16 0.00 0.00 65 F 8.02 4.00 0.00 3.15 3.01 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 66 R 8.60 3.91 0.00 1.86 2.14 0.00 3.08 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 67 R 7.42 4.02 0.00 1.91 1.96 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 68 L 8.18 4.22 0.00 1.77 1.45 0.37 0.44 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 69 G 8.02 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 0.00 0.00 0.00 70 E 8.36 4.15 0.00 2.10 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 2.51 0.00 71 E 8.48 4.19 0.00 2.19 1.74 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 2.15 2.43 0.00 72 W 7.73 5.38 0.00 3.61 3.43 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 73 D 9.72 4.79 0.00 2.77 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 74 G 9.03 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 75 Y 8.45 4.14 0.00 3.18 3.04 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 76 T 8.60 4.94 4.16 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 1.22 0.00 0.00 77 F 9.20 5.58 0.00 3.54 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 78 K 8.02 4.18 0.00 1.49 1.43 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.34 1.21 7.81 79 L 7.99 3.95 0.00 1.41 1.36 0.59 1.01 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 80 D 9.36 4.77 0.00 2.61 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 81 A 7.55 4.72 1.11 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 0.00 0.00 82 L 8.30 4.92 0.00 1.51 1.56 1.08 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 83 H 9.56 5.01 0.00 3.14 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.99 5.10 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.73 4.82 1.35 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 86 G 8.49 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 87 D 9.21 4.55 0.00 2.76 2.92 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 88 T 7.78 5.20 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 1.35 0.00 0.00 89 V 9.05 5.08 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 1.16 0.00 0.00 1.08 0.00 0.00 90 I 9.12 5.11 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.45 1.00 0.00 0.00 91 G 9.41 4.63 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 0.00 0.00 0.00 92 V 8.45 4.89 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 0.94 0.00 0.00 0.99 0.00 0.00 93 G 8.51 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 0.00 0.00 0.00 94 R 7.88 5.16 0.00 1.58 1.69 0.00 3.20 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 95 Y 8.93 5.53 0.00 3.16 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 96 S 7.42 4.12 0.00 3.53 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 97 G 6.81 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 98 T 8.37 5.54 4.39 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 1.32 0.00 0.00 99 Y 9.28 3.80 0.00 2.25 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 0.00 100 R 8.12 3.81 0.00 1.53 1.77 0.00 3.18 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 101 R 6.94 3.68 0.00 1.23 1.89 0.00 3.14 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.35 0.00 102 T 7.20 4.29 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 1.35 0.00 0.00 103 G 8.14 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 0.00 104 K 7.91 4.68 0.00 2.09 1.83 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.58 7.81 105 S 8.73 5.66 0.00 3.92 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 0.00 106 F 8.90 5.21 0.00 3.17 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 0.00 107 E 8.73 4.82 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 2.16 2.34 0.00 108 C 9.12 4.84 0.00 3.16 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 0.00 109 R 8.58 4.99 0.00 1.79 1.88 0.00 3.44 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 110 V 8.32 4.86 1.74 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 0.16 0.00 0.00 0.75 0.00 0.00 111 A 9.16 5.18 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 0.00 112 H 9.40 4.98 0.00 3.20 2.49 0.00 5.60 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 0.00 113 V 8.19 4.57 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 1.08 0.00 0.00 0.87 0.00 0.00 114 W 9.36 5.38 0.00 3.37 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 0.00 115 R 9.19 5.20 0.00 1.91 1.80 0.00 3.05 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 116 V 8.73 4.98 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 0.88 0.00 0.00 0.98 0.00 0.00 117 D 8.96 4.53 0.00 2.75 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 0.00 118 A 9.89 4.02 1.35 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 0.00 119 G 8.65 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 0.00 0.00 0.00 120 K 7.71 4.79 0.00 1.83 1.82 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.53 7.81 121 I 8.84 4.52 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 1.35 0.00 0.00 122 V 9.30 4.53 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 0.80 0.00 0.00 1.08 0.00 0.00 123 H 8.16 5.48 0.00 3.25 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.73 4.59 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 0.00 0.00 0.00 125 E 7.34 4.28 0.00 1.61 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 1.47 1.63 0.00 126 Q 7.69 4.34 0.00 1.87 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.57 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 127 F 9.17 4.67 0.00 2.86 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 0.00 128 T 8.24 5.12 4.43 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 1.30 0.00 0.00 129 D 8.68 4.74 0.00 2.85 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 0.00 130 T 8.04 4.02 4.39 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 1.43 0.00 0.00 131 L 7.90 3.91 0.00 1.80 1.73 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.52 4.19 0.00 1.92 1.85 1.07 1.10 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 0.00 133 V 7.70 2.93 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 0.65 0.00 0.00 0.57 0.00 0.00 134 A 7.84 3.88 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 0.00 135 Q 8.06 4.28 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.60 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 136 A 7.49 4.28 1.62 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 0.00 0.00 *138 Q 7.68 4.01 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.63 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 139 P 0.00 4.44 0.00 2.04 1.98 0.00 3.70 0.00 0.00 3.69 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 * Residues marked with a * may have inaccurate shift predictions.