NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7317 8.4449 117.8555 55.3880 30.7480 173.9444 3 E 4.2937 8.1728 117.8621 55.7113 29.9812 175.4959 4 W 4.2113 8.5071 131.3165 59.4755 31.5937 177.0964 5 A 4.0725 8.4959 120.2074 55.6759 17.3698 179.4624 6 L 3.9060 7.9386 116.3908 57.2152 41.6725 178.7653 7 A 4.0445 9.0954 120.2704 53.6881 19.0678 178.9786 8 D 3.6304 6.9017 116.2276 57.2716 41.1303 177.7699 9 A 3.8853 7.5106 120.8739 55.2276 18.1825 179.6460 10 I 3.5368 7.5225 116.9086 63.8327 37.0833 178.3822 11 V 4.0208 7.7949 118.7124 64.3971 31.6218 177.6517 12 R 4.0647 7.8322 118.5761 59.2438 29.5448 178.3638 13 T 3.9317 8.6375 116.2352 66.5242 68.5294 176.8282 14 V 3.7492 7.6097 118.9166 65.7369 31.2430 177.6997 15 L 4.3007 7.9215 117.6775 56.5466 41.6853 178.6412 16 D 4.4728 8.0630 119.1013 56.9151 41.0560 177.9154 17 Y 4.0130 7.8525 118.9105 60.6192 38.9926 177.2753 18 A 4.0333 8.2040 121.5038 55.3314 18.4670 179.6546 19 Q 3.9424 7.8179 115.5617 59.3241 28.5242 178.2191 20 R 4.3677 7.4146 114.3527 56.0593 29.6257 176.4622 21 E 4.3400 7.2303 115.9627 55.1339 31.2776 175.8161 22 G 3.8750 7.5920 106.2042 46.2478 0.0000 173.9196 23 A 4.2788 7.6615 120.7862 51.4254 19.4177 178.7029 24 S 4.4461 8.2589 114.0352 58.3959 64.0687 174.4159 25 R 4.4133 7.1430 118.9716 56.0394 32.1737 172.9957 26 V 4.1477 8.7857 125.0063 61.6605 32.6029 175.5452 27 K 4.4114 8.6332 126.0828 58.0541 33.7124 176.3319 28 A 5.1471 7.6813 118.2926 50.5339 22.8856 176.2381 29 V 4.2454 8.7940 119.3260 61.6256 34.7869 173.7416 30 R 4.9900 8.6673 128.8394 55.0342 31.4359 175.4002 31 V 4.5400 8.9945 125.6289 61.0285 34.9288 174.1042 32 V 4.9232 8.3088 125.7456 61.1749 34.2013 174.4975 33 L 4.7217 9.2692 127.3996 52.5266 45.5187 176.2988 34 G 3.9945 8.5771 110.7120 45.8157 0.0000 173.9163 35 E 4.2851 8.4250 120.0841 57.4683 29.4216 177.4765 36 L 4.3742 7.7836 119.0342 55.1286 42.4424 176.2675 37 Q 4.2403 8.1265 120.2415 55.3547 28.9377 175.1161 38 D 4.7755 8.5907 122.8106 53.4902 39.8681 176.6506 39 V 4.1257 7.5236 111.9025 60.9002 33.0977 175.8278 40 A 4.5101 8.6247 126.4620 50.6936 18.8851 177.8744 41 E 4.2645 9.0515 122.6925 60.7525 29.2401 178.9687 42 D 4.5876 8.2288 118.8879 56.0015 39.5851 178.3736 43 I 3.8302 7.9799 121.7859 64.0761 37.0886 178.3541 44 V 3.7079 7.7925 118.9841 65.5547 31.4010 177.9663 45 K 3.9326 8.2187 119.5810 59.3979 32.1989 178.5132 46 F 3.8888 8.6326 118.2160 60.7696 38.6909 177.6790 47 A 4.0844 8.3152 118.8101 55.6224 18.4964 179.2352 48 M 3.6808 8.4753 117.4895 58.3354 32.1385 178.4875 49 E 3.9785 8.5410 118.8104 60.1216 29.8462 179.9571 50 Q 4.1657 8.1318 119.6317 59.4747 28.5884 179.1790 51 L 4.2878 7.7318 122.0418 58.7069 41.2923 180.8393 52 F 5.0801 7.7851 114.8152 58.8576 38.9322 175.5715 53 A 4.1052 7.0225 119.8405 54.1550 18.3730 177.5659 54 G 3.9415 9.3607 110.9453 45.9155 0.0000 172.7717 55 T 4.7405 7.7591 109.2673 59.0224 71.9855 174.5545 56 I 3.8008 8.2373 112.3527 62.1770 37.4062 176.6756 57 A 4.2158 7.4308 123.2438 51.6925 18.9679 177.1128 58 E 4.0078 7.8181 118.4899 57.5069 30.2374 176.6436 59 G 3.7317 8.6108 111.8329 46.8033 0.0000 173.5569 60 A 4.7968 8.0404 123.4278 50.1457 20.7664 178.5323 61 E 3.9556 8.7446 121.3422 57.7161 30.9481 172.6876 62 I 4.8378 8.3417 125.1215 58.9059 39.2163 174.8393 63 E 4.6897 8.8100 126.8974 54.6294 32.3198 175.2883 64 F 5.7769 8.6067 119.6956 56.0099 42.6242 174.6561 65 V 4.5651 9.3051 121.8004 61.1979 35.2073 173.7538 66 E 4.8263 8.7921 126.6900 55.0797 31.3072 175.0806 67 E 4.4809 9.1990 129.8064 54.7508 31.0434 175.1963 68 E 3.9790 8.7475 124.2784 56.9105 30.3004 173.6684 69 A 4.3940 8.4660 123.7864 50.8041 20.7184 176.8238 70 V 3.7472 7.2404 112.7907 60.0150 35.9790 173.5460 71 F 4.7256 8.3464 121.3236 55.6522 43.6483 173.4228 72 K 5.0757 8.3948 120.5067 54.8884 35.5081 174.4531 73 C 4.8803 8.9367 125.7184 57.9690 32.7832 174.8634 74 R 3.9832 8.9463 125.8287 59.4027 30.0535 177.6712 75 N 4.5261 8.3193 115.3053 55.6083 39.5321 174.8968 76 C 4.6522 8.1144 110.9166 57.0300 31.6408 174.8363 77 N 4.7849 8.6278 117.4505 53.1368 38.6504 173.0752 78 Y 4.0881 7.6749 118.3680 58.9958 39.6803 174.2871 79 E 5.4716 8.7715 128.1337 54.7524 31.6341 174.6297 80 W 5.5312 9.4773 122.4537 55.5606 32.6587 173.9856 81 K 4.5919 8.7929 119.7019 54.5782 34.0327 177.4273 82 L 4.4325 8.1641 121.3138 59.0864 41.9855 179.4579 83 K 4.2041 7.8643 118.8899 59.5316 32.5123 177.4322 84 E 4.0603 8.0243 117.8083 59.7378 29.5180 179.6793 85 V 3.7354 8.6545 120.8137 66.5794 31.5166 178.8090 86 K 4.0959 8.0634 122.9348 60.0847 31.6333 180.5849 87 D 4.4500 8.3171 122.3888 57.6480 40.5019 179.6991 88 K 4.0813 7.8514 123.2450 59.3160 31.9555 181.3223 89 F 4.5208 8.3059 122.8781 61.8095 39.6562 178.0178 90 D 4.5682 9.0502 121.5647 58.1663 39.2505 179.2253 91 E 4.6034 7.8680 116.7417 56.4657 29.6414 177.4609 92 R 4.3895 7.5803 117.4409 56.0715 31.1879 176.4997 93 I 4.1336 7.4067 120.1231 63.3074 37.5690 177.9157 94 K 4.0664 7.7627 123.6373 58.5349 32.2796 183.6687 95 E 4.4370 8.1240 118.3557 59.7486 29.5735 178.6080 96 D 4.4415 7.4311 118.2670 53.5868 39.5326 181.2748 97 I 3.3649 7.4753 117.8530 62.6248 33.3957 179.0525 *98 H 4.4750 8.1081 118.7704 55.5577 28.8027 178.5340 *103 V 4.3902 8.3884 120.2539 61.7732 33.6352 179.8533 104 V 3.7161 7.8215 120.6177 66.2746 31.6462 179.8604 105 H 4.4085 8.3574 118.5238 58.7341 29.4523 177.0399 106 A 4.1957 7.5691 122.0586 54.6535 18.3658 178.6715 107 F 4.3593 7.9493 112.7085 57.7730 39.1403 176.2080 108 L 4.9299 7.5156 117.3799 53.6834 42.5779 175.5737 109 A 4.6821 7.9081 119.4461 50.7210 21.9220 176.6648 110 C 3.9288 9.0129 122.6161 59.2217 31.9330 171.9416 111 P 4.2863 0.0000 0.0000 66.3965 30.3356 177.8616 112 K 3.8620 7.4928 119.5801 56.0111 32.0132 179.8863 113 C 4.6556 7.5621 114.9109 56.1432 32.0441 174.1885 114 G 3.8544 8.7512 108.4381 47.5677 0.0000 176.3684 115 S 3.3911 8.9266 113.3108 58.6585 62.2852 173.5123 116 H 4.5026 9.9145 128.6366 57.6158 27.9867 173.2065 117 D 4.5552 7.7260 116.7758 53.0317 43.2146 173.7946 118 F 4.9552 7.3981 122.5111 55.7420 40.4600 173.0635 119 E 4.7878 8.9332 118.9619 55.2525 32.5197 176.5294 120 V 4.0857 8.1594 124.7087 61.0472 30.6176 175.7956 121 V 3.7422 8.2595 124.8897 64.8009 31.7731 176.2110 122 K 4.5849 7.4707 116.9351 54.4345 35.1008 173.7782 123 G 3.6645 8.1928 123.0840 47.0382 0.0000 175.4030 124 R 4.2961 8.5817 120.4246 54.5341 28.9145 178.4141 125 G 4.1185 7.3333 109.3155 43.8831 0.0000 172.2028 126 V 4.1012 7.7115 120.8286 61.4309 32.2879 172.7879 127 Y 5.0165 7.3867 124.8312 54.6737 40.8283 175.9337 128 V 4.2307 8.1573 118.5743 61.2216 31.6005 176.5141 129 A 3.9078 8.7303 129.1438 52.7321 18.6416 177.8558 130 G 4.2510 6.4273 105.4022 45.2602 0.0000 172.8241 131 I 4.5602 8.1998 122.7263 59.0356 40.6248 174.9311 132 K 4.5043 8.6551 123.9748 54.5915 33.5486 175.4237 133 I 4.7439 8.0446 116.5064 59.0870 40.8246 173.8403 134 E 4.6991 8.5106 118.0462 54.7300 32.6518 175.3094 135 K 4.7164 8.5159 123.1984 55.4375 36.1379 176.8346 136 E 4.2863 8.5004 114.5977 56.6282 30.7678 171.2986 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 2 H 8.44 4.73 0.00 3.15 3.45 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.17 4.29 0.00 2.05 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 2.43 2.51 0.00 4 W 8.51 4.21 0.00 3.43 3.19 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 5 A 8.50 4.07 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 0.00 0.00 0.00 0.00 0.00 6 L 7.94 3.91 0.00 1.70 1.63 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 A 9.10 4.04 1.02 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 8 D 6.90 3.63 0.00 1.58 1.94 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 9 A 7.51 3.89 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 10 I 7.52 3.54 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.24 0.91 0.00 0.00 11 V 7.79 4.02 1.95 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 1.01 0.00 0.00 0.21 0.00 0.00 12 R 7.83 4.06 0.00 2.01 2.01 0.00 3.16 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 13 T 8.64 3.93 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 1.20 0.00 0.00 14 V 7.61 3.75 2.35 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 1.02 0.00 0.00 1.14 0.00 0.00 15 L 7.92 4.30 0.00 1.84 1.74 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.06 4.47 0.00 2.79 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 17 Y 7.85 4.01 0.00 3.01 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 18 A 8.20 4.03 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 19 Q 7.82 3.94 0.00 2.34 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 20 R 7.41 4.37 0.00 1.95 2.03 0.00 3.00 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.50 0.00 21 E 7.23 4.34 0.00 1.95 1.72 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 1.71 1.47 0.00 22 G 7.59 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 A 7.66 4.28 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 24 S 8.26 4.45 0.00 3.97 3.97 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 25 R 7.14 4.41 0.00 1.70 1.76 0.00 3.23 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.58 0.00 26 V 8.79 4.15 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 0.72 0.00 0.00 0.84 0.00 0.00 27 K 8.63 4.41 0.00 1.70 1.80 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.36 7.81 28 A 7.68 5.15 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 29 V 8.79 4.25 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 1.00 0.00 0.00 0.99 0.00 0.00 30 R 8.67 4.99 0.00 1.86 1.80 0.00 3.23 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 31 V 8.99 4.54 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 0.60 0.00 0.00 1.11 0.00 0.00 32 V 8.31 4.92 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 0.83 0.00 0.00 0.91 0.00 0.00 33 L 9.27 4.72 0.00 1.46 1.37 0.67 0.56 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 34 G 8.58 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.42 4.29 0.00 1.95 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 0.00 2.30 2.26 0.00 36 L 7.78 4.37 0.00 1.63 1.74 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.13 4.24 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.50 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 38 D 8.59 4.78 0.00 2.75 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 39 V 7.52 4.13 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 0.71 0.00 0.00 0.88 0.00 0.00 40 A 8.62 4.51 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 41 E 9.05 4.26 0.00 2.80 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 2.52 2.56 0.00 42 D 8.23 4.59 0.00 3.18 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 43 I 7.98 3.83 2.03 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 1.29 0.65 0.92 0.00 0.00 44 V 7.79 3.71 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 1.09 0.00 0.00 0.95 0.00 0.00 45 K 8.22 3.93 0.00 1.84 1.90 0.00 1.53 0.00 0.00 1.49 0.00 0.00 3.07 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.31 7.81 46 F 8.63 3.89 0.00 3.30 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 47 A 8.32 4.08 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 M 8.48 3.68 0.00 1.66 2.07 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.30 0.00 49 E 8.54 3.98 0.00 1.93 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 2.32 2.47 0.00 50 Q 8.13 4.17 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.82 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 51 L 7.73 4.29 0.00 1.75 1.58 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.79 5.08 0.00 3.33 2.98 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 0.00 0.00 0.00 0.00 53 A 7.02 4.11 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 54 G 9.36 3.94 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 0.00 0.00 0.00 55 T 7.76 4.74 4.26 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 1.31 0.00 0.00 56 I 8.24 3.80 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.89 0.00 0.00 57 A 7.43 4.22 0.03 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 0.00 0.00 58 E 7.82 4.01 0.00 2.16 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 2.34 2.30 0.00 59 G 8.61 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 60 A 8.04 4.80 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 61 E 8.74 3.96 0.00 1.69 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 2.18 0.00 62 I 8.34 4.84 1.70 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.78 0.00 0.00 63 E 8.81 4.69 0.00 1.94 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 2.22 2.23 0.00 64 F 8.61 5.78 0.00 2.80 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 65 V 9.31 4.57 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 0.97 0.00 0.00 66 E 8.79 4.83 0.00 2.01 1.80 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 2.20 2.36 0.00 67 E 9.20 4.48 0.00 1.95 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 2.12 2.16 0.00 68 E 8.75 3.98 0.00 1.79 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 69 A 8.47 4.39 1.05 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 0.00 0.00 0.00 70 V 7.24 3.75 1.80 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 0.46 0.00 0.00 0.70 0.00 0.00 71 F 8.35 4.73 0.00 1.73 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 72 K 8.39 5.08 0.00 1.70 1.66 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 73 C 8.94 4.88 0.00 3.51 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 74 R 8.95 3.98 0.00 1.89 2.02 0.00 3.30 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 75 N 8.32 4.53 0.00 2.71 2.88 0.00 0.00 6.76 7.65 0.00 0.00 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 C 8.11 4.65 0.00 3.23 3.18 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 0.00 0.00 0.00 0.00 77 N 8.63 4.78 0.00 2.94 3.13 0.00 0.00 7.11 8.07 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 78 Y 7.67 4.09 0.00 3.28 2.84 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 0.00 0.00 0.00 79 E 8.77 5.47 0.00 2.08 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 2.37 0.00 80 W 9.48 5.53 0.00 3.61 3.64 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 81 K 8.79 4.59 0.00 1.91 1.75 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.39 7.81 82 L 8.16 4.43 0.00 1.83 1.76 1.31 0.70 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 83 K 7.86 4.20 0.00 1.96 1.86 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.71 7.81 84 E 8.02 4.06 0.00 2.50 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 0.00 2.48 2.57 0.00 85 V 8.65 3.74 2.50 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 1.05 0.00 0.00 1.18 0.00 0.00 86 K 8.06 4.10 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.10 7.81 87 D 8.32 4.45 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.85 4.08 0.00 1.84 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.32 7.81 89 F 8.31 4.52 0.00 3.19 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 90 D 9.05 4.57 0.00 2.68 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 91 E 7.87 4.60 0.00 1.92 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 2.31 2.60 0.00 92 R 7.58 4.39 0.00 1.60 1.50 0.00 3.13 0.00 0.00 3.06 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 93 I 7.41 4.13 2.02 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 0.91 0.00 0.00 94 K 7.76 4.07 0.00 1.85 1.72 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.05 7.81 95 E 8.12 4.44 0.00 2.19 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 0.00 2.28 2.45 0.00 96 D 7.43 4.44 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 97 I 7.48 3.36 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 1.16 1.00 0.91 0.00 0.00 *98 H 8.11 4.48 0.00 2.93 2.87 0.00 7.20 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *103 V 8.39 4.39 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 0.68 0.00 0.00 0.93 0.00 0.00 104 V 7.82 3.72 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 0.76 0.00 0.00 0.93 0.00 0.00 105 H 8.36 4.41 0.00 3.25 3.36 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.57 4.20 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 0.00 107 F 7.95 4.36 0.00 3.03 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 0.00 108 L 7.52 4.93 0.00 1.77 1.54 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.91 4.68 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 0.00 110 C 9.01 3.93 0.00 3.00 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 0.00 111 P 0.00 4.29 0.00 2.18 2.12 0.00 3.78 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 1.95 1.90 0.00 112 K 7.49 3.86 0.00 1.80 1.66 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.01 7.81 113 C 7.56 4.66 0.00 3.09 2.99 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 0.00 0.00 0.00 114 G 8.75 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 0.00 115 S 8.93 3.39 0.00 4.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.91 4.50 0.00 3.17 3.71 0.00 5.49 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.73 4.56 0.00 2.55 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 0.00 118 F 7.40 4.96 0.00 3.05 3.05 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 0.00 119 E 8.93 4.79 0.00 1.96 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 2.33 0.00 120 V 8.16 4.09 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 0.84 0.00 0.00 1.05 0.00 0.00 121 V 8.26 3.74 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 0.86 0.00 0.00 0.94 0.00 0.00 122 K 7.47 4.58 0.00 1.72 1.65 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.40 7.81 123 G 8.19 3.66 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 0.00 0.00 0.00 124 R 8.58 4.30 0.00 1.84 1.77 0.00 3.21 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 125 G 7.33 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 0.00 0.00 0.00 0.00 126 V 7.71 4.10 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 0.80 0.00 0.00 0.87 0.00 0.00 127 Y 7.39 5.02 0.00 2.96 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 0.00 128 V 8.16 4.23 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 1.03 0.00 0.00 0.98 0.00 0.00 129 A 8.73 3.91 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 0.00 130 G 6.43 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 0.00 131 I 8.20 4.56 1.86 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 1.41 0.70 0.90 0.00 0.00 132 K 8.66 4.50 0.00 1.70 1.70 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.37 7.81 133 I 8.04 4.74 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 1.40 0.65 0.90 0.00 0.00 134 E 8.51 4.70 0.00 1.91 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 2.19 2.28 0.00 135 K 8.52 4.72 0.00 1.68 1.70 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 136 E 8.50 4.29 0.00 1.92 1.63 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 2.11 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.