NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.0584 8.0093 121.4425 61.2504 38.4600 175.9430 5 D 4.3072 8.2280 125.8354 51.9428 42.3361 175.6283 6 Y 4.2327 8.2066 116.7375 60.9021 38.1627 179.8702 7 K 4.0265 8.1304 120.1529 59.9256 32.4388 178.7536 8 T 3.9444 8.6470 116.1090 66.6119 68.4990 176.3163 9 A 4.0266 8.3494 122.8073 55.1482 18.2126 179.2188 10 F 4.0579 8.1783 117.7259 62.1492 39.5591 176.9790 11 H 4.4350 8.3022 113.7979 58.1160 28.5972 176.8656 12 L 4.2268 8.0486 120.7835 55.3704 42.8825 176.7540 13 A 4.0443 7.3418 122.1556 52.2074 18.6587 176.0756 14 P 4.5988 0.0000 0.0000 63.2938 31.9003 175.7707 15 I 4.7084 7.0394 111.3697 58.7377 40.7794 175.5725 16 G 3.9304 8.8843 111.2809 46.5255 0.0000 172.6243 17 L 5.5952 9.2613 124.3001 52.9332 45.9404 175.7810 18 V 5.1696 9.1906 121.1785 61.4597 35.4877 173.9608 19 L 5.2342 9.2337 128.2312 53.7565 43.1204 176.0492 20 S 5.3194 9.2580 119.1501 56.9259 66.8213 173.2567 21 R 4.6883 9.0108 119.5951 56.0308 33.5163 174.6564 22 D 4.7656 9.6231 126.3577 54.5311 38.8241 174.5906 23 R 4.1507 8.1542 111.8522 57.0379 28.0915 175.9563 24 V 4.3723 7.4314 117.6906 60.7722 33.5937 174.8245 25 I 3.9596 8.0119 127.9945 61.2953 36.9976 176.3376 26 E 4.4171 9.0772 128.2832 58.2822 30.5159 176.4635 27 D 4.9449 7.9176 116.9970 53.5018 44.8975 173.6388 28 C 5.9177 8.9675 116.8876 58.2425 32.8829 172.2073 29 N 4.9392 8.3421 117.0846 51.3567 39.5665 175.6587 30 D 4.3784 8.6979 117.9550 57.3517 40.6499 178.5558 31 E 3.9041 8.1275 119.5485 59.0691 29.6739 178.3738 32 L 4.0070 8.2192 119.6676 58.1790 42.2101 178.4892 33 A 4.0324 7.8279 120.5548 55.2088 18.3068 179.4469 34 A 3.9076 8.1494 119.1954 55.4167 18.2726 179.8569 35 I 3.3882 7.7014 117.1027 64.1661 37.3902 177.7947 36 F 4.3462 8.1059 116.3583 55.9757 39.3685 176.0120 37 R 3.9050 7.7049 116.8393 56.8181 27.9564 174.2790 38 C 4.5966 8.0862 110.0607 57.2970 33.1607 173.1838 39 A 4.5878 8.7073 121.8340 51.1724 19.9832 178.6423 40 R 3.9381 8.6846 118.9468 59.5773 29.8694 179.2943 41 A 3.9717 8.0354 118.8211 55.3751 18.3607 178.9650 42 D 4.4110 8.0608 116.2653 56.5466 41.1120 177.8316 43 L 4.4913 7.9386 119.0861 54.4616 42.4959 176.5857 44 I 3.8156 7.2725 119.8916 62.7587 37.1432 175.9943 45 G 3.8018 9.2287 114.1708 45.5535 0.0000 172.5320 46 R 4.2232 7.7407 120.5267 54.2175 31.1298 175.8778 47 S 4.3816 8.3557 119.4533 58.3446 63.0211 174.8277 48 F 4.3283 8.9614 126.4575 60.7770 38.6581 177.3927 49 E 3.3185 7.7419 118.9733 59.3967 28.8487 179.2187 50 V 3.7396 7.2773 110.8009 63.2880 31.6825 177.5345 51 L 4.2109 7.8652 117.6682 54.8528 40.6678 176.4414 52 Y 4.4321 7.1996 116.7420 56.1805 39.0639 174.8141 53 P 4.5964 0.0000 0.0000 65.6575 31.8327 177.1313 54 S 4.6297 7.6166 110.2524 56.0575 67.2109 175.2985 55 S 4.1197 8.6355 116.2477 61.8419 61.9538 175.8871 56 D 4.3674 8.0989 120.9363 57.3661 40.5031 178.5190 57 E 3.9081 8.1088 118.6390 59.2828 29.5434 178.9968 58 F 2.6685 8.1206 123.1158 61.5123 39.3775 177.7086 59 E 3.5702 8.1985 117.7702 60.8604 29.4907 180.8516 60 R 3.9466 8.0781 120.4140 59.4420 30.1450 178.8287 61 I 3.8420 7.9128 120.0189 63.9359 37.0278 178.5870 62 G 3.3156 7.4891 106.7294 47.8707 0.0000 175.5790 63 E 4.0873 7.8714 121.7702 59.0619 29.4482 179.7425 64 R 4.2282 7.3610 119.9674 60.7859 29.9746 183.6387 65 I 3.4645 7.8039 120.1600 64.4056 36.8552 178.1693 66 S 4.1608 7.5782 114.6247 61.4833 62.9912 174.5489 67 P 4.3619 0.0000 0.0000 65.7077 31.7008 178.7787 68 V 4.0277 7.5071 114.8531 63.8248 30.9066 177.3779 *70 I 4.3053 8.1231 118.8098 61.0425 38.7170 177.0628 71 A 4.0777 8.1878 121.5991 54.6224 18.2228 177.8631 72 H 4.7096 8.3742 110.5308 55.0311 30.6628 175.6922 73 G 3.9772 9.9502 106.5680 45.2040 0.0000 172.4588 74 S 4.7379 7.3651 112.0337 57.7351 66.1786 172.9159 75 Y 4.8438 8.6363 120.2613 56.2310 42.2941 173.4225 76 A 5.0311 7.4445 126.3388 50.7323 22.6479 174.6277 77 D 4.5708 8.8365 119.8300 52.7926 43.5744 173.2612 78 D 5.6855 8.6825 117.9096 52.8215 43.4052 176.0589 79 R 4.5979 8.9311 117.9068 55.0174 33.5388 174.1265 80 I 4.1847 7.2901 119.7356 59.3205 38.6123 175.8016 *82 K 4.3337 8.3374 124.0206 56.3130 32.7849 176.0291 83 R 4.3459 9.1096 125.7836 55.4470 30.7250 176.0583 84 A 4.1183 8.4057 123.5474 54.4458 18.5445 178.5233 85 G 3.9070 8.6214 111.4892 44.7476 0.0000 174.2338 86 G 4.0123 8.2143 107.8379 44.7365 0.0000 173.7620 87 E 4.0819 8.1979 121.7893 56.5301 30.5741 175.5473 88 L 5.0259 8.5951 127.1428 54.1301 43.2716 175.8249 89 F 5.0453 8.2254 116.1545 55.5281 41.7491 172.7829 90 W 4.7480 8.9583 119.5702 56.0215 30.9101 175.0425 91 C 5.2803 9.0984 124.1978 57.9565 34.8518 171.9609 92 H 5.3086 9.3286 126.4477 55.3611 31.1984 173.8483 93 V 4.8604 8.6652 125.5050 61.1950 34.6154 174.2464 94 T 5.0718 8.5123 117.0194 60.1878 72.4582 172.9416 95 G 2.8670 8.6378 108.8146 44.5293 0.0000 171.8165 96 R 4.8144 8.1906 122.4603 53.9261 33.2393 174.6266 97 A 4.6417 8.5359 129.0378 51.4360 19.4355 177.0744 98 L 4.0297 8.6344 123.7059 57.2514 42.5061 177.0914 99 D 4.7887 7.8408 117.9059 51.8476 43.1728 176.0233 100 R 3.9421 8.7022 123.9594 59.2918 29.6017 178.1560 101 T 4.1494 8.1987 106.4054 62.4699 69.7421 174.5802 102 A 4.7706 8.0532 125.9341 49.8803 18.6371 174.9309 103 P 4.3352 0.0000 0.0000 64.4065 32.1948 178.4234 104 L 4.7309 7.9216 116.2816 54.2797 42.7771 175.8824 105 A 4.9263 7.8976 127.3086 51.0701 18.2778 177.7426 106 A 4.7904 8.1270 117.1984 53.3080 19.7340 177.3978 107 G 4.5133 8.5661 106.7784 45.9639 0.0000 171.7678 108 V 5.1497 8.3779 119.7495 60.8893 33.7680 174.5733 109 W 5.4127 9.5565 127.1279 55.0683 33.2305 174.3890 110 T 5.3722 9.1341 113.1870 60.1309 71.9119 172.8620 111 F 5.3179 9.4510 121.2068 55.9894 43.6564 173.3343 112 E 5.0642 9.3260 123.5229 54.2660 32.9635 173.9162 113 D 4.8993 9.0467 127.1363 54.3405 41.8786 175.4100 114 L 4.6491 8.8375 125.2642 55.0402 41.9008 178.0265 115 S 4.2690 8.8358 118.2230 61.4221 62.9700 175.3205 116 A 4.2114 7.7397 121.5884 51.6243 18.8427 177.1671 117 T 3.9098 8.3550 117.9574 63.8091 69.0346 174.5042 118 R 4.0562 8.3889 125.3797 55.8481 30.7422 176.1884 119 R 4.1009 8.4934 123.5771 55.6431 30.8291 175.3228 120 V 4.2220 8.3361 124.5535 61.0382 33.2695 175.0299 121 A 4.3058 8.5603 128.9181 52.3226 19.0092 176.3288 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 4 I 8.01 4.06 1.84 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 1.47 1.05 0.91 0.00 0.00 5 D 8.23 4.31 0.00 2.90 2.74 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 0.00 0.00 0.00 6 Y 8.21 4.23 0.00 3.08 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 7 K 8.13 4.03 0.00 1.89 1.88 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.62 7.81 8 T 8.65 3.94 4.41 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 1.25 0.00 0.00 9 A 8.35 4.03 1.46 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 10 F 8.18 4.06 0.00 3.15 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 11 H 8.30 4.43 0.00 3.30 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.05 4.23 0.00 1.78 1.78 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.34 4.04 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 14 P 0.00 4.60 0.00 2.21 2.18 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 15 I 7.04 4.71 2.10 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 1.19 0.78 0.96 0.00 0.00 16 G 8.88 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 17 L 9.26 5.60 0.00 0.89 1.50 0.69 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 V 9.19 5.17 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 1.25 0.00 0.00 1.18 0.00 0.00 19 L 9.23 5.23 0.00 1.69 1.64 0.62 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.26 5.32 0.00 4.01 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 0.00 21 R 9.01 4.69 0.00 1.91 1.77 0.00 3.26 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 22 D 9.62 4.77 0.00 2.87 2.70 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 0.00 0.00 0.00 0.00 23 R 8.15 4.15 0.00 2.29 2.45 0.00 2.95 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 1.68 1.67 0.00 24 V 7.43 4.37 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 0.91 0.00 0.00 0.93 0.00 0.00 25 I 8.01 3.96 1.84 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.29 0.89 0.00 0.00 26 E 9.08 4.42 0.00 1.94 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 0.00 2.44 2.39 0.00 27 D 7.92 4.94 0.00 2.72 2.40 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 28 C 8.97 5.92 0.00 3.17 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 29 N 8.34 4.94 0.00 2.72 2.42 0.00 0.00 5.93 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 30 D 8.70 4.38 0.00 2.74 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 31 E 8.13 3.90 0.00 2.07 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 2.45 2.50 0.00 32 L 8.22 4.01 0.00 1.84 1.79 0.68 0.98 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 33 A 7.83 4.03 1.45 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 0.00 0.00 0.00 34 A 8.15 3.91 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 I 7.70 3.39 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.33 0.00 0.00 36 F 8.11 4.35 0.00 3.08 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 37 R 7.70 3.90 0.00 1.92 1.93 0.00 3.23 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 38 C 8.09 4.60 0.00 3.26 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 39 A 8.71 4.59 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 R 8.68 3.94 0.00 1.89 2.05 0.00 3.35 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 41 A 8.04 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 42 D 8.06 4.41 0.00 2.81 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 43 L 7.94 4.49 0.00 1.74 1.58 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.27 3.82 1.86 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 1.63 0.75 0.95 0.00 0.00 45 G 9.23 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 0.00 0.00 0.00 46 R 7.74 4.22 0.00 1.84 1.70 0.00 3.07 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 47 S 8.36 4.38 0.00 3.76 3.52 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 48 F 8.96 4.33 0.00 3.33 3.24 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 49 E 7.74 3.32 0.00 1.16 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 2.01 1.79 0.00 50 V 7.28 3.74 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 0.70 0.00 0.00 0.85 0.00 0.00 51 L 7.87 4.21 0.00 1.36 1.23 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.20 4.43 0.00 3.26 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 53 P 0.00 4.60 0.00 2.06 2.11 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 54 S 7.62 4.63 0.00 4.04 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 55 S 8.64 4.12 0.00 3.90 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 56 D 8.10 4.37 0.00 2.73 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 57 E 8.11 3.91 0.00 2.29 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 2.35 2.50 0.00 58 F 8.12 2.67 0.00 2.74 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 59 E 8.20 3.57 0.00 2.02 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 2.24 2.19 0.00 60 R 8.08 3.95 0.00 1.86 2.00 0.00 3.05 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 61 I 7.91 3.84 1.78 0.00 0.00 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 1.50 0.56 0.99 0.00 0.00 62 G 7.49 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 0.00 0.00 0.00 63 E 7.87 4.09 0.00 2.05 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 2.26 2.36 0.00 64 R 7.36 4.23 0.00 1.89 1.83 0.00 3.27 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 65 I 7.80 3.46 1.74 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.35 0.80 0.00 0.00 66 S 7.58 4.16 0.00 3.82 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 67 P 0.00 4.36 0.00 2.23 2.31 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 68 V 7.51 4.03 2.56 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 1.13 0.00 0.00 1.16 0.00 0.00 *70 I 8.12 4.31 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 1.43 1.46 0.91 0.00 0.00 71 A 8.19 4.08 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 72 H 8.37 4.71 0.00 3.24 3.32 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.95 3.98 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 0.00 0.00 0.00 74 S 7.37 4.74 0.00 3.76 3.76 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 75 Y 8.64 4.84 0.00 3.08 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 76 A 7.44 5.03 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 77 D 8.84 4.57 0.00 2.78 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 78 D 8.68 5.69 0.00 2.77 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 79 R 8.93 4.60 0.00 1.75 2.03 0.00 3.08 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.77 0.00 80 I 7.29 4.18 1.38 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 -0.30 -0.36 0.58 0.00 0.00 *82 K 8.34 4.33 0.00 1.81 1.89 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.71 7.81 83 R 9.11 4.35 0.00 1.87 1.75 0.00 3.02 0.00 0.00 2.86 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.55 0.00 84 A 8.41 4.12 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 85 G 8.62 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 0.00 0.00 0.00 86 G 8.21 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 0.00 0.00 0.00 87 E 8.20 4.08 0.00 2.08 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 2.44 2.39 0.00 88 L 8.60 5.03 0.00 1.58 1.52 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.23 5.05 0.00 3.17 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 90 W 8.96 4.75 0.00 3.37 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 91 C 9.10 5.28 0.00 2.44 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 92 H 9.33 5.31 0.00 3.31 3.21 0.00 5.58 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 93 V 8.67 4.86 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 0.82 0.00 0.00 0.76 0.00 0.00 94 T 8.51 5.07 4.13 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 1.11 0.00 0.00 95 G 8.64 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 0.00 0.00 0.00 96 R 8.19 4.81 0.00 1.69 1.59 0.00 3.03 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 0.00 97 A 8.54 4.64 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 98 L 8.63 4.03 0.00 1.61 1.74 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.84 4.79 0.00 2.66 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 0.00 100 R 8.70 3.94 0.00 2.03 2.18 0.00 3.24 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 101 T 8.20 4.15 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 0.00 102 A 8.05 4.77 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 0.00 103 P 0.00 4.34 0.00 2.23 2.23 0.00 3.76 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 2.00 2.00 0.00 104 L 7.92 4.73 0.00 1.73 1.72 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.90 4.93 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 0.00 106 A 8.13 4.79 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 0.00 107 G 8.57 4.51 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 0.00 0.00 0.00 108 V 8.38 5.15 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 1.18 0.00 0.00 0.98 0.00 0.00 109 W 9.56 5.41 0.00 3.71 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 0.00 110 T 9.13 5.37 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 1.25 0.00 0.00 111 F 9.45 5.32 0.00 3.10 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 0.00 112 E 9.33 5.06 0.00 2.10 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 2.27 2.30 0.00 113 D 9.05 4.90 0.00 2.74 2.59 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 0.00 114 L 8.84 4.65 0.00 1.72 1.71 1.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.84 4.27 0.00 3.90 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 0.00 116 A 7.74 4.21 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 0.00 117 T 8.36 3.91 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 0.00 118 R 8.39 4.06 0.00 1.78 1.85 0.00 3.16 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 119 R 8.49 4.10 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 120 V 8.34 4.22 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 0.91 0.00 0.00 121 A 8.56 4.31 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 * Residues marked with a * may have inaccurate shift predictions.