NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2552 8.2644 123.5844 52.4992 18.8103 175.9328 3 Y 4.6153 7.8991 123.9681 55.3451 38.2298 172.9105 4 D 4.5455 8.8306 125.1542 53.6868 44.3246 175.7144 5 L 3.9844 8.3836 126.1252 58.3795 42.3017 179.5737 6 S 4.1322 8.1273 113.3959 60.9343 62.9840 176.2806 7 E 3.8940 7.7954 122.2608 59.2980 29.3105 178.7220 8 F 4.5399 7.5943 121.9867 61.0279 39.3712 176.6956 9 M 3.8328 8.2983 118.1611 58.6016 31.9290 178.4969 10 G 3.5517 7.9366 105.6963 47.7169 0.0000 175.4722 11 D 4.5087 8.5414 121.6648 57.1979 40.8141 178.8968 12 I 3.7106 7.7906 120.2691 64.4159 37.2703 178.2975 13 V 3.4497 7.8612 118.9645 66.3554 31.0216 178.0107 14 A 4.0454 7.9135 118.7134 54.8256 18.2397 179.0919 15 L 4.0871 7.9013 118.6495 58.3460 42.3210 179.0884 16 V 3.7361 7.7960 116.8868 64.5422 32.8239 176.6643 17 D 4.5512 7.3414 119.2342 51.9003 37.7724 175.1338 *19 R 3.8080 7.2155 117.9024 56.5795 32.1578 176.2329 20 W 3.7048 9.1237 123.8459 57.2958 26.3907 173.3760 21 A 4.3658 7.8529 120.8991 52.6407 18.9631 176.5082 22 G 4.2749 8.8572 107.0540 43.2835 0.0000 173.5070 23 I 3.6732 8.2604 117.3826 64.3328 37.7422 177.5405 24 H 4.3990 8.0381 116.4055 58.4290 28.4081 177.2225 25 D 4.4790 7.8257 120.4320 57.2331 40.6713 178.3411 26 I 4.2194 7.8191 120.1020 64.2929 37.3225 177.9994 27 E 4.6939 8.1180 120.7383 58.7293 28.7669 178.5168 28 H 4.1933 8.6234 118.8527 59.4216 29.6343 177.0808 29 L 4.2805 7.7122 117.9020 57.9504 41.8640 179.1824 30 A 3.0105 7.9473 120.0682 54.9372 18.2412 179.1598 31 N 4.1650 8.2330 114.7357 56.4551 38.3123 177.4193 32 A 3.4626 7.2738 120.4679 54.4858 18.2979 179.0007 33 F 4.0497 7.8557 114.8271 56.9715 40.6361 175.6103 34 S 3.5320 7.1815 111.9741 59.0030 60.4124 170.6662 35 L 4.2337 7.5406 120.3812 53.5326 42.9007 176.7935 36 P 4.6670 0.0000 0.0000 59.0154 29.2078 174.0888 37 T 4.4604 7.2358 124.7124 62.9639 70.8006 172.3038 38 P 4.5943 0.0000 0.0000 65.4045 32.0216 177.9188 39 E 4.1385 8.1602 116.1090 59.2522 29.9236 178.9464 40 I 3.8106 7.2010 119.4444 61.6414 36.7684 178.0460 *42 V 4.1226 7.9518 122.0407 63.0910 33.2372 177.3111 43 R 3.8246 7.9728 119.0878 59.4114 29.7900 177.8466 44 F 3.7077 8.2277 120.6389 61.8947 39.1230 176.8856 45 Y 4.3467 7.8374 115.2442 60.8092 37.5529 178.0461 46 Q 3.9863 7.8522 118.6263 59.1605 29.2033 178.1401 47 D 4.4148 8.3027 120.1928 56.7748 40.6184 178.4762 48 L 3.3720 7.4733 117.2628 55.8214 41.6594 178.1945 *50 R 4.1092 7.8362 118.8079 56.3232 31.8874 176.9344 51 M 3.9962 7.8193 116.7632 58.9453 31.9985 178.2882 52 F 3.6462 7.8683 117.8286 60.2903 38.7868 177.5858 53 R 4.0606 7.5480 116.0299 58.3734 29.9779 177.4146 54 L 4.5115 7.3083 116.2254 53.8791 42.4958 176.7883 55 F 4.7820 7.5309 119.1177 56.4587 39.8559 173.6697 56 P 4.5748 0.0000 0.0000 62.6302 31.8944 177.4146 57 L 4.2856 8.7209 119.7583 57.8250 41.8741 179.6724 58 G 3.8433 8.3185 106.7948 48.7089 0.0000 174.8490 59 V 3.5788 7.4371 111.4354 62.9604 31.8277 176.5751 60 F 4.6091 7.4238 117.6842 56.0782 40.0680 175.9418 61 S 4.2510 8.6706 117.4870 61.4417 62.6814 174.6382 62 D 4.6480 7.4746 116.8765 51.9764 45.7061 175.9664 63 E 3.8219 8.6120 122.5033 59.1971 29.6430 178.8730 64 E 3.8546 7.9964 119.0622 59.4487 29.8201 178.7543 65 Q 3.6641 7.7193 117.5219 58.5145 28.7727 178.4149 66 R 3.2867 7.8824 119.9405 59.2738 30.0037 178.7043 67 Q 3.8637 8.1427 118.0110 58.9150 28.7585 177.7934 68 N 4.3072 8.3756 118.5507 56.9982 38.8553 176.5614 69 L 4.0358 7.8544 121.3125 58.1990 42.2408 178.9382 70 L 4.1312 8.0592 118.9709 57.6343 41.4046 179.2591 71 Q 3.9969 8.6555 120.2575 59.3993 28.9264 178.1618 72 M 4.0964 8.2239 119.8688 58.3272 31.9075 178.3390 73 C 4.0851 8.1591 117.0520 62.9684 28.3647 175.9502 74 Q 3.9532 8.0098 120.8079 59.4398 28.6218 178.1500 75 N 4.2995 8.5434 117.5456 56.1017 38.4833 177.3264 76 A 3.6553 7.9890 122.3463 54.9655 18.3194 179.5961 77 I 3.7132 7.9490 118.7090 64.6979 37.2136 178.2676 78 D 4.3252 8.1273 119.5064 57.7221 40.7219 178.3652 79 M 3.9262 8.3408 118.7232 58.9426 32.0789 178.1340 80 A 4.1650 7.9712 120.5645 54.8110 18.5493 179.7096 81 I 3.6538 8.0477 118.6447 64.6299 37.2861 178.1353 82 E 3.9448 8.2301 119.3474 59.8096 29.3935 179.6063 83 S 4.1355 8.1401 112.7728 61.2764 62.1921 175.6712 84 E 3.9313 8.1364 121.1216 59.3698 29.6487 178.4791 85 E 4.1096 8.4199 118.7586 59.4480 29.6079 178.9314 86 E 3.9530 8.6633 118.9422 59.7937 29.3618 179.4598 87 E 4.0290 8.0075 116.9011 58.7833 29.5844 178.4672 88 L 4.4667 7.5325 116.6239 55.0835 42.2793 178.2884 89 S 4.2909 7.8380 114.3679 59.3222 63.5093 173.9335 90 E 4.7537 7.4232 120.5239 54.2978 32.5432 175.5459 91 L 4.0339 8.6214 123.7612 56.5600 42.7328 176.4298 92 D 4.7857 8.0494 121.2986 54.8325 40.7536 173.4129 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 A 8.26 4.26 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 3 Y 7.90 4.62 0.00 2.79 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 4 D 8.83 4.55 0.00 2.88 2.45 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 5 L 8.38 3.98 0.00 1.81 1.65 1.08 0.88 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 6 S 8.13 4.13 0.00 4.06 4.08 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 7 E 7.80 3.89 0.00 1.90 1.81 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 2.45 2.36 0.00 8 F 7.59 4.54 0.00 2.43 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 9 M 8.30 3.83 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 10 G 7.94 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.54 4.51 0.00 3.19 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 12 I 7.79 3.71 1.84 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.34 0.97 0.00 0.00 13 V 7.86 3.45 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 0.96 0.00 0.00 0.86 0.00 0.00 14 A 7.91 4.05 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 15 L 7.90 4.09 0.00 1.83 1.93 1.04 1.45 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 16 V 7.80 3.74 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 0.59 0.00 0.00 0.60 0.00 0.00 17 D 7.34 4.55 0.00 2.83 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 *19 R 7.22 3.81 0.00 1.95 1.80 0.00 3.47 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 20 W 9.12 3.70 0.00 3.51 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.85 4.37 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 22 G 8.86 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 0.00 0.00 0.00 0.00 23 I 8.26 3.67 1.80 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 1.49 1.20 0.69 0.00 0.00 24 H 8.04 4.40 0.00 3.26 3.38 0.00 5.67 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 25 D 7.83 4.48 0.00 2.86 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 26 I 7.82 4.22 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.35 1.11 0.00 0.00 27 E 8.12 4.69 0.00 2.07 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 2.25 2.36 0.00 28 H 8.62 4.19 0.00 3.44 3.67 0.00 5.79 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 29 L 7.71 4.28 0.00 2.35 2.33 1.40 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.95 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.23 4.17 0.00 2.87 2.82 0.00 0.00 6.95 7.05 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 32 A 7.27 3.46 0.22 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 33 F 7.86 4.05 0.00 2.97 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 34 S 7.18 3.53 0.00 3.81 3.78 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 35 L 7.54 4.23 0.00 1.53 1.48 0.23 1.01 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 36 P 0.00 4.67 0.00 2.15 2.06 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 37 T 7.24 4.46 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 1.39 0.00 0.00 38 P 0.00 4.59 0.00 2.05 2.12 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 39 E 8.16 4.14 0.00 2.11 2.21 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 2.35 2.27 0.00 40 I 7.20 3.81 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 1.16 0.63 0.87 0.00 0.00 *42 V 7.95 4.12 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 1.01 0.00 0.00 1.08 0.00 0.00 43 R 7.97 3.82 0.00 2.15 2.02 0.00 3.20 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 44 F 8.23 3.71 0.00 3.00 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 45 Y 7.84 4.35 0.00 3.14 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 46 Q 7.85 3.99 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 47 D 8.30 4.41 0.00 2.47 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 48 L 7.47 3.37 0.00 1.39 1.53 0.55 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 *50 R 7.84 4.11 0.00 1.99 2.02 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 51 M 7.82 4.00 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.36 0.00 52 F 7.87 3.65 0.00 2.92 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 53 R 7.55 4.06 0.00 1.87 2.07 0.00 3.24 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 54 L 7.31 4.51 0.00 1.84 1.78 0.94 1.34 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 55 F 7.53 4.78 0.00 3.35 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 56 P 0.00 4.57 0.00 2.23 2.21 0.00 3.65 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 1.99 1.95 0.00 57 L 8.72 4.29 0.00 1.79 1.83 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.32 3.84 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 0.00 0.00 0.00 59 V 7.44 3.58 1.67 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 0.38 0.00 0.00 0.09 0.00 0.00 60 F 7.42 4.61 0.00 2.97 2.90 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 61 S 8.67 4.25 0.00 3.79 3.82 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 62 D 7.47 4.65 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 63 E 8.61 3.82 0.00 2.03 1.90 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 2.33 2.36 0.00 64 E 8.00 3.85 0.00 2.04 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 2.25 2.49 0.00 65 Q 7.72 3.66 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 66 R 7.88 3.29 0.00 1.18 1.75 0.00 2.35 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 67 Q 8.14 3.86 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.49 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 68 N 8.38 4.31 0.00 2.87 2.91 0.00 0.00 6.92 6.21 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 69 L 7.85 4.04 0.00 1.91 1.82 1.03 0.34 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 70 L 8.06 4.13 0.00 1.84 1.70 0.84 0.61 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 71 Q 8.66 4.00 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 72 M 8.22 4.10 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 3.01 0.00 73 C 8.16 4.09 0.00 3.24 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 74 Q 8.01 3.95 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 75 N 8.54 4.30 0.00 2.85 2.81 0.00 0.00 6.96 7.70 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 76 A 7.99 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.95 3.71 2.02 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 1.64 0.83 0.95 0.00 0.00 78 D 8.13 4.33 0.00 2.90 2.71 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 0.00 0.00 0.00 0.00 79 M 8.34 3.93 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 80 A 7.97 4.17 1.60 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 0.00 0.00 81 I 8.05 3.65 2.10 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 1.54 0.80 0.92 0.00 0.00 82 E 8.23 3.94 0.00 2.23 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 2.34 2.34 0.00 83 S 8.14 4.14 0.00 3.92 4.08 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 84 E 8.14 3.93 0.00 2.24 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 0.00 2.33 2.37 0.00 85 E 8.42 4.11 0.00 2.22 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 2.33 2.49 0.00 86 E 8.66 3.95 0.00 2.10 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 2.34 2.57 0.00 87 E 8.01 4.03 0.00 2.09 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 2.50 2.52 0.00 88 L 7.53 4.47 0.00 1.74 1.70 0.97 0.93 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 89 S 7.84 4.29 0.00 4.05 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 90 E 7.42 4.75 0.00 1.93 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 2.19 2.25 0.00 91 L 8.62 4.03 0.00 1.58 1.68 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.05 4.79 0.00 2.87 2.65 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.