NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.0760 8.1744 115.2433 62.7729 68.3042 172.2117 12 V 2.9836 8.4246 128.3700 61.6126 29.0961 168.5032 13 P 4.1651 0.0000 0.0000 64.0099 32.6301 176.0939 14 E 3.8281 8.8578 119.5530 57.0836 27.3461 175.8759 15 S 4.4957 7.5430 116.0577 57.3521 61.8152 174.1781 16 T 4.5085 7.4392 123.7466 62.5541 71.8996 174.8260 17 A 3.9801 8.4213 124.7471 55.5477 18.4185 180.0112 18 R 3.9214 8.0766 116.5486 60.0678 30.1006 178.4671 19 M 4.1767 7.9972 117.7926 58.4533 32.0567 178.5245 20 Q 4.0742 8.3729 118.4542 59.0857 28.9350 179.3334 21 G 3.6268 8.3400 106.3391 47.3661 0.0000 175.7374 22 A 3.7608 7.8696 123.2829 54.8234 18.2755 179.7849 23 G 3.4955 7.9602 104.2028 47.9754 0.0000 175.7532 24 K 3.8739 7.9761 121.4517 59.1282 32.0328 179.2685 25 A 3.9495 7.9065 120.7800 54.9876 18.1752 179.4978 26 L 3.6999 8.0337 119.0345 58.2491 42.1627 178.1983 27 H 4.0060 8.2766 118.3172 59.7273 29.6365 176.7797 28 E 3.9793 8.5517 120.2560 59.3366 29.4136 179.3192 29 L 3.9599 8.0561 120.4188 58.0914 41.9511 178.8606 30 L 3.9826 7.9560 117.9830 57.9865 41.6785 179.2340 31 L 4.1828 7.8491 117.6697 57.6015 41.5237 179.4200 32 S 4.2822 8.3723 114.2385 60.7199 62.9607 174.8604 33 A 4.1796 7.2629 124.2116 52.5519 18.6898 176.9844 34 Q 4.0866 8.7619 120.7180 56.2487 30.4373 174.5221 35 R 4.5473 7.6202 117.4043 53.7120 29.6482 174.9970 36 Q 4.7547 7.5315 119.3774 55.3261 30.9805 174.0605 37 G 3.5920 8.0784 107.2861 46.1058 0.0000 177.9953 38 C 3.9058 8.7920 116.8542 60.4276 29.0723 173.7984 39 L 4.3603 8.5130 123.4329 55.7393 40.3523 175.5477 40 T 3.7807 7.2636 111.8634 63.8788 68.8855 172.9177 41 A 4.8944 8.7285 128.8979 51.5618 21.2431 177.2971 42 G 4.0648 8.9272 107.8649 45.7185 0.0000 174.9936 43 V 3.4552 8.1827 118.9741 66.2301 31.4535 178.2242 44 Y 4.1855 7.4148 115.9211 60.8201 37.8760 177.9659 45 E 4.0609 8.2229 119.1318 59.6574 29.6168 179.4363 46 S 4.1021 8.1572 114.6665 61.5631 62.8466 176.4258 47 A 3.8755 8.1069 123.5423 55.1119 18.0573 179.6390 48 K 3.7944 7.8075 117.8102 59.5989 32.2888 178.8033 49 V 3.5532 7.5279 118.2221 66.3464 31.1035 177.9152 50 L 3.9211 7.7913 116.9459 57.9893 41.4816 179.1082 51 N 4.2908 7.9968 115.4116 55.4363 38.4263 176.9214 52 V 4.1959 7.8829 118.6530 63.6451 33.5390 176.3859 53 D 4.7371 8.3586 118.6027 52.3825 41.2624 172.5098 54 P 4.7100 0.0000 0.0000 63.1693 32.5609 178.5146 55 D 4.4767 8.1280 118.3304 56.4823 41.0090 176.4268 56 N 4.8119 8.1056 115.3603 53.0287 39.7977 174.3974 57 V 4.2754 7.4257 118.4804 61.1062 31.9000 176.0176 58 A 4.6242 9.2892 126.8003 52.6033 20.9752 176.3942 59 F 4.7082 7.6193 115.3656 57.4158 43.1524 172.4970 60 C 5.3449 7.9564 124.2312 57.5857 35.4924 172.8187 61 V 4.6668 8.6754 124.1388 61.1970 34.2910 174.0356 62 L 4.7927 8.7356 128.6190 53.5973 43.3136 175.6964 63 A 5.2954 8.9990 124.8222 50.2429 22.2023 174.7222 64 A 4.8516 8.9196 122.1582 51.1396 23.6008 176.2181 65 G 4.1502 9.1357 109.8435 43.4395 0.0000 174.4706 66 E 3.9955 8.6066 118.7642 58.9843 29.8471 178.3487 67 E 3.9438 8.4060 117.5092 59.5839 29.7227 177.5333 68 D 4.6764 8.1188 115.9811 54.5701 41.2336 178.1692 69 E 4.0384 8.0370 120.1428 58.7000 29.5648 177.9279 70 G 3.9575 7.9760 105.6029 45.4689 0.0000 174.2183 71 D 4.5928 7.6049 121.7108 52.6112 40.2098 176.5916 72 I 3.6567 7.9487 126.8509 63.5867 37.3659 177.3373 73 A 3.9299 7.9699 121.2720 55.3216 18.1986 179.2401 74 L 3.5969 7.9764 118.4583 58.2903 42.0630 179.2982 75 Q 3.9416 8.1972 118.2478 58.8620 28.5944 178.4522 76 I 3.7124 8.2074 121.2193 64.8608 37.0840 178.2269 77 H 4.1576 8.0837 116.8856 58.7308 28.4054 177.7270 78 F 4.5880 8.4591 120.0956 61.1143 38.7835 177.8194 79 T 3.9254 8.5158 115.5581 66.7976 68.3493 176.7636 80 L 4.0933 8.1695 121.0112 57.6193 41.6127 179.6309 81 I 3.7441 8.2642 120.2713 64.4638 37.1250 178.1956 82 Q 3.9446 8.4300 120.3574 59.2562 28.9123 178.1626 83 A 4.0185 8.1543 121.7432 54.9775 18.3021 179.4680 84 F 4.0104 8.1622 118.6319 61.7096 39.5216 177.0568 85 C 4.0036 8.2874 116.3358 63.1487 27.4139 176.0860 86 C 4.0638 8.0396 118.0697 62.7067 27.4667 175.8329 87 E 3.8979 7.8598 119.0082 59.1078 29.0993 178.5488 88 N 4.5941 7.5636 113.1556 52.1400 38.9801 174.5837 89 D 4.3703 7.3418 117.2302 55.4021 38.9180 173.4655 90 I 4.2596 7.7516 120.1876 60.1033 38.0250 176.0409 91 D 4.4768 8.5538 126.8396 54.6885 41.9503 175.1291 92 I 4.6583 7.6850 120.6809 59.9503 41.2329 173.8257 93 V 4.7078 7.9926 126.2290 61.5888 35.4957 173.1345 94 R 4.9593 8.8661 125.1715 54.4752 32.6432 175.3005 95 V 4.6393 8.9008 123.5676 61.2139 34.2832 176.1442 96 G 4.0393 8.9098 114.3324 45.1357 0.0000 173.4922 97 D 4.7435 7.6460 119.4367 52.1921 42.4550 175.8247 98 V 3.6873 8.1452 127.3667 65.4616 31.7140 177.5768 99 Q 3.9563 7.9658 117.2700 59.3193 28.5460 178.2081 100 R 3.8535 8.2578 119.8338 58.7761 30.3181 177.8988 101 L 4.0445 7.9576 120.0903 58.0566 41.7282 178.8559 102 A 4.4592 8.2770 121.8361 54.4814 18.0363 179.3882 103 A 3.9608 7.9430 118.7418 55.0467 18.4238 179.2343 104 I 4.0320 7.4699 117.5349 62.2462 38.0649 176.5465 105 V 4.7561 6.4215 116.9374 60.1328 34.7655 175.1793 106 G 3.9547 8.3813 112.7014 46.5066 0.0000 172.6911 107 A 3.5336 9.3386 116.7731 52.7049 15.2387 176.9823 108 G 3.7910 7.5226 107.8205 46.3880 0.0000 173.4752 *117 L 4.0775 8.2225 118.0079 55.3817 42.4587 176.0183 118 H 5.2645 7.7006 115.6609 55.4321 31.3281 175.4748 119 C 5.3084 7.8629 118.3472 57.9501 35.4795 172.4805 120 I 5.0864 8.8838 125.3206 59.6859 40.9797 174.0230 121 L 5.1210 8.9268 127.1124 53.1438 44.1646 175.3926 122 I 4.6245 9.0276 124.4344 59.9262 39.4121 174.7481 123 S 5.2580 8.2779 123.7906 57.3799 66.4433 172.5247 124 N 4.6053 8.2119 122.6505 54.5559 39.2666 176.0860 *130 W 4.1252 8.4947 125.3271 57.0913 29.8217 173.4913 131 K 4.2452 9.0707 122.4200 53.0814 35.2167 174.1452 132 D 4.1441 8.1581 121.8086 54.2894 40.8039 172.6406 133 P 4.1947 0.0000 0.0000 65.8598 31.2926 178.2055 134 A 3.9301 8.1235 118.7650 55.0753 18.3095 179.3563 135 L 3.7228 7.8402 118.3119 58.1464 42.2735 178.4932 136 E 3.9767 8.4084 118.8717 59.5661 29.4082 179.4273 137 K 3.9725 8.2996 119.5420 59.5879 32.1808 178.8743 138 L 4.0684 8.1415 119.4145 57.7090 41.6194 179.3388 139 S 4.5051 8.4005 114.8706 60.8526 62.2592 176.0563 140 L 4.0380 8.3147 123.2554 57.8179 41.8136 178.5175 141 F 4.2374 8.4855 120.9543 61.7359 39.3337 177.0033 142 C 4.1813 8.6358 116.4746 62.7365 27.8486 175.6971 143 E 3.9578 8.1570 120.5823 59.3982 28.3057 178.7383 144 E 3.8782 8.3578 118.6967 59.3599 29.3209 179.6137 145 S 4.0501 7.6870 115.3223 61.4923 62.8003 176.7785 146 R 3.8160 8.0701 120.7605 59.4301 29.6115 178.9572 147 S 4.1043 7.8622 114.0328 60.9646 62.8040 175.9482 148 V 4.1362 6.6409 112.8290 60.9862 31.6975 175.6194 149 N 3.1400 8.0847 114.9899 53.5490 35.9860 174.8096 150 D 4.1916 7.1151 120.1708 52.1879 39.8997 175.9166 151 W 4.5459 7.5895 125.2540 58.3720 29.5126 176.7177 152 V 4.2752 7.5180 116.7978 59.0039 31.6530 173.0215 153 P 4.7766 0.0000 0.0000 62.2709 33.4480 175.0198 154 S 5.0083 8.5176 115.1604 57.7774 63.6218 173.1004 155 I 4.5865 8.5713 126.1127 59.7935 40.0203 175.3360 156 T 4.3329 8.4107 123.3139 61.8970 68.8968 174.8873 157 L 4.1606 8.2574 127.2662 53.9793 42.1274 175.4751 158 P 4.3267 0.0000 0.0000 65.1583 32.1014 176.2158 159 E 4.7200 8.2077 123.4324 55.0284 29.7448 176.8890 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 T 8.17 4.08 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 12 V 8.42 2.98 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 0.88 0.00 0.00 0.93 0.00 0.00 13 P 0.00 4.17 0.00 2.08 2.00 0.00 3.85 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 2.04 2.13 0.00 14 E 8.86 3.83 0.00 2.14 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 0.00 2.21 2.29 0.00 15 S 7.54 4.50 0.00 3.93 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 16 T 7.44 4.51 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 1.26 0.00 0.00 17 A 8.42 3.98 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 18 R 8.08 3.92 0.00 1.95 2.03 0.00 3.26 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 19 M 8.00 4.18 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.71 0.00 20 Q 8.37 4.07 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 21 G 8.34 3.63 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 22 A 7.87 3.76 0.49 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 0.00 0.00 23 G 7.96 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 0.00 0.00 0.00 24 K 7.98 3.87 0.00 1.79 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.64 7.81 25 A 7.91 3.95 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 26 L 8.03 3.70 0.00 1.65 1.73 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 H 8.28 4.01 0.00 3.37 3.48 0.00 5.67 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 28 E 8.55 3.98 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 29 L 8.06 3.96 0.00 1.75 1.46 0.21 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.96 3.98 0.00 1.79 1.73 0.89 0.89 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 31 L 7.85 4.18 0.00 1.92 1.77 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.37 4.28 0.00 4.11 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 33 A 7.26 4.18 1.44 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 0.00 0.00 34 Q 8.76 4.09 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 35 R 7.62 4.55 0.00 2.11 1.88 0.00 3.61 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 36 Q 7.53 4.75 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.16 1.93 0.00 37 G 8.08 3.59 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 0.00 38 C 8.79 3.91 0.00 3.21 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 39 L 8.51 4.36 0.00 1.81 1.75 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.26 3.78 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 1.23 0.00 0.00 41 A 8.73 4.89 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 42 G 8.93 4.06 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 0.00 0.00 0.00 43 V 8.18 3.46 1.50 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 0.70 0.00 0.00 0.83 0.00 0.00 44 Y 7.41 4.19 0.00 3.06 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 45 E 8.22 4.06 0.00 2.35 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 2.52 2.50 0.00 46 S 8.16 4.10 0.00 4.05 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 47 A 8.11 3.88 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 48 K 7.81 3.79 0.00 1.82 1.82 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 49 V 7.53 3.55 2.27 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 1.00 0.00 0.00 1.00 0.00 0.00 50 L 7.79 3.92 0.00 1.39 0.58 0.91 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.00 4.29 0.00 2.82 2.83 0.00 0.00 6.95 8.08 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 52 V 7.88 4.20 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 0.82 0.00 0.00 0.96 0.00 0.00 53 D 8.36 4.74 0.00 2.58 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.71 0.00 2.53 2.84 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 55 D 8.13 4.48 0.00 2.71 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 56 N 8.11 4.81 0.00 2.79 2.89 0.00 0.00 6.89 7.68 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 57 V 7.43 4.28 2.12 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 0.77 0.00 0.00 1.03 0.00 0.00 58 A 9.29 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.62 4.71 0.00 2.96 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 60 C 7.96 5.34 0.00 2.92 2.48 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 0.00 0.00 0.00 61 V 8.68 4.67 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 1.01 0.00 0.00 1.15 0.00 0.00 62 L 8.74 4.79 0.00 1.20 0.48 0.58 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 63 A 9.00 5.30 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 64 A 8.92 4.85 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.14 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.61 4.00 0.00 2.03 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 2.43 2.61 0.00 67 E 8.41 3.94 0.00 2.02 2.04 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 2.34 2.32 0.00 68 D 8.12 4.68 0.00 2.85 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 69 E 8.04 4.04 0.00 1.92 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 2.38 2.36 0.00 70 G 7.98 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 71 D 7.60 4.59 0.00 2.69 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 72 I 7.95 3.66 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 1.56 0.64 0.90 0.00 0.00 73 A 7.97 3.93 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 74 L 7.98 3.60 0.00 1.70 1.58 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.20 3.94 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 76 I 8.21 3.71 1.97 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 1.69 0.86 0.82 0.00 0.00 77 H 8.08 4.16 0.00 3.23 3.24 0.00 5.83 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 78 F 8.46 4.59 0.00 3.14 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 79 T 8.52 3.93 4.49 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 1.24 0.00 0.00 80 L 8.17 4.09 0.00 1.70 1.73 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.26 3.74 2.16 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 1.43 0.86 0.95 0.00 0.00 82 Q 8.43 3.94 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 83 A 8.15 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 84 F 8.16 4.01 0.00 3.27 3.27 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 85 C 8.29 4.00 0.00 3.14 3.14 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 86 C 8.04 4.06 0.00 3.05 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 87 E 7.86 3.90 0.00 1.98 1.79 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 2.37 2.45 0.00 88 N 7.56 4.59 0.00 2.09 2.49 0.00 0.00 7.13 7.62 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 89 D 7.34 4.37 0.00 2.80 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 90 I 7.75 4.26 1.82 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 1.27 0.46 0.85 0.00 0.00 91 D 8.55 4.48 0.00 2.53 2.47 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 92 I 7.69 4.66 1.70 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 1.09 1.56 0.84 0.00 0.00 93 V 7.99 4.71 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 1.06 0.00 0.00 1.09 0.00 0.00 94 R 8.87 4.96 0.00 1.75 1.73 0.00 3.06 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 95 V 8.90 4.64 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 0.98 0.00 0.00 0.99 0.00 0.00 96 G 8.91 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 0.00 0.00 0.00 97 D 7.65 4.74 0.00 2.68 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 98 V 8.15 3.69 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 1.01 0.00 0.00 1.01 0.00 0.00 99 Q 7.97 3.96 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 100 R 8.26 3.85 0.00 1.92 1.99 0.00 3.26 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 101 L 7.96 4.04 0.00 1.98 1.80 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.28 4.46 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 0.00 103 A 7.94 3.96 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 0.00 104 I 7.47 4.03 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.87 0.00 0.00 105 V 6.42 4.76 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 0.86 0.00 0.00 1.01 0.00 0.00 106 G 8.38 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 0.00 107 A 9.34 3.53 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.52 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 *117 L 8.22 4.08 0.00 1.61 1.62 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 118 H 7.70 5.26 0.00 3.17 3.60 0.00 5.93 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 0.00 119 C 7.86 5.31 0.00 3.10 2.63 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 0.00 120 I 8.88 5.09 1.91 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 1.25 0.57 0.95 0.00 0.00 121 L 8.93 5.12 0.00 1.60 1.58 0.95 0.45 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 0.00 122 I 9.03 4.62 1.78 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 1.02 0.83 0.27 0.00 0.00 123 S 8.28 5.26 0.00 3.79 3.80 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 0.00 124 N 8.21 4.61 0.00 2.79 2.83 0.00 0.00 7.09 7.82 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 *130 W 8.49 4.13 0.00 3.23 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 0.00 131 K 9.07 4.25 0.00 1.72 1.84 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.34 7.81 132 D 8.16 4.14 0.00 2.97 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 0.00 133 P 0.00 4.19 0.00 2.20 2.13 0.00 3.67 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 2.13 2.21 0.00 134 A 8.12 3.93 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 0.00 135 L 7.84 3.72 0.00 1.75 2.08 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.41 3.98 0.00 2.21 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 2.38 2.61 0.00 137 K 8.30 3.97 0.00 1.95 1.99 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 138 L 8.14 4.07 0.00 1.78 1.69 0.35 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.40 4.51 0.00 4.00 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 0.00 140 L 8.31 4.04 0.00 1.84 1.91 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.49 4.24 0.00 3.29 3.23 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 0.00 142 C 8.64 4.18 0.00 3.12 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 0.00 143 E 8.16 3.96 0.00 2.15 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 0.00 2.32 2.41 0.00 144 E 8.36 3.88 0.00 2.01 1.84 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 2.29 2.48 0.00 145 S 7.69 4.05 0.00 3.88 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 0.00 146 R 8.07 3.82 0.00 2.12 2.25 0.00 3.26 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 147 S 7.86 4.10 0.00 3.92 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 0.00 148 V 6.64 4.14 1.93 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 0.60 0.00 0.00 0.83 0.00 0.00 149 N 8.08 3.14 0.00 2.45 2.41 0.00 0.00 6.70 8.71 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 0.00 150 D 7.12 4.19 0.00 2.34 2.46 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 0.00 151 W 7.59 4.55 0.00 3.35 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 0.00 152 V 7.52 4.28 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 0.85 0.00 0.00 0.90 0.00 0.00 153 P 0.00 4.78 0.00 2.28 2.16 0.00 3.93 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 2.28 1.98 0.00 154 S 8.52 5.01 0.00 3.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.57 4.59 1.83 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.80 0.77 0.00 0.00 156 T 8.41 4.33 4.23 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 1.21 0.00 0.00 157 L 8.26 4.16 0.00 1.61 1.57 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.33 0.00 2.19 2.13 0.00 3.78 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 159 E 8.21 4.72 0.00 2.08 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 0.00 2.10 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.