NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 5.3070 8.3981 119.9478 57.0903 35.1186 174.0352 4 I 4.4216 7.9747 113.7676 58.4625 40.2391 172.7267 5 R 5.7876 8.8875 129.2135 54.2770 30.7616 175.4022 6 I 5.0895 8.2994 119.5521 58.0354 40.4790 175.1649 7 K 4.9167 8.4377 123.8172 54.9578 35.7760 175.1264 8 L 5.2556 8.6001 121.1357 53.3360 45.9899 175.9201 9 R 5.3986 8.2337 120.5133 54.0265 32.7877 174.4570 10 G 4.1815 8.4278 110.8612 45.3933 0.0000 171.4372 11 F 5.7482 7.9207 116.7134 56.6910 41.2353 175.6494 12 D 4.8047 8.0170 119.3351 52.4311 41.6480 176.2663 13 H 4.1553 8.5753 124.1467 58.2220 28.1937 177.0647 14 K 3.9411 8.1793 122.5439 59.0110 31.9985 178.9009 15 T 3.8811 7.9880 115.7679 66.3978 68.3856 176.5097 16 L 4.0253 7.7390 120.3890 57.9743 41.2733 179.1820 17 D 4.4445 7.9490 117.5962 56.0812 40.3902 178.1523 18 A 4.2208 7.2003 120.8956 54.6211 19.3534 179.4082 19 S 4.1643 8.7688 113.6240 61.0088 62.8130 176.7041 20 A 4.0888 8.2881 124.5365 54.8141 17.8507 178.9826 21 Q 4.0394 7.7791 115.3179 57.6506 29.1852 178.0928 22 K 3.9525 7.9384 120.2069 59.8444 32.5706 178.0672 23 I 3.9533 7.1905 115.8815 62.7921 37.2226 177.4996 24 V 3.9878 7.5147 119.4938 64.8315 31.8439 177.4990 25 E 3.9848 7.6463 118.5527 59.0664 29.4128 180.3909 26 A 5.0930 7.9268 120.6842 50.8991 18.8249 177.7351 27 A 4.6938 9.0520 124.8123 55.4155 25.7355 179.6484 28 R 3.9057 8.0076 113.9463 59.5160 30.0744 178.3044 29 R 4.3210 7.8945 110.0316 56.6804 30.2214 176.5285 30 S 4.6633 8.1229 112.9771 57.2690 64.0341 174.0307 31 G 4.5524 8.0014 106.6100 46.3293 0.0000 173.0541 32 A 4.0609 8.1767 122.1567 52.0146 18.7967 178.6128 33 Q 3.9072 8.5618 119.9458 57.1909 29.3728 173.9533 34 V 3.5930 7.4862 123.5031 62.4355 33.2245 171.7711 35 S 4.4464 10.4004 120.1383 57.8240 61.6188 174.3761 36 G 3.8187 7.7218 111.0412 43.8892 0.0000 171.0506 37 P 5.0949 0.0000 0.0000 61.5513 32.1986 175.1521 38 I 4.4459 9.1091 120.5597 58.5328 39.9279 173.4792 39 P 5.0770 0.0000 0.0000 61.8012 31.0738 175.3489 40 L 4.3369 8.1710 125.9335 53.5911 42.3083 175.5377 41 P 4.2117 0.0000 0.0000 63.7672 31.4501 176.0655 42 T 4.2946 8.2757 117.0728 63.5423 69.8320 174.0603 43 R 4.4528 8.5329 124.9774 54.7833 31.8852 174.8259 44 V 4.4074 8.3022 126.8324 61.8127 33.2593 174.9671 45 R 4.4620 8.3910 127.0527 54.6844 32.5947 174.3916 46 R 4.9790 8.3095 124.8123 54.7208 32.9172 175.8997 47 F 4.7383 9.6668 120.1768 56.3294 42.7331 173.8582 48 T 5.1686 8.7823 120.7962 61.7024 70.7298 174.3826 49 V 4.6210 8.1785 123.4494 59.8267 35.3028 174.6572 50 I 3.9446 8.5002 124.3103 61.7309 37.6240 176.2291 51 R 4.0304 8.2809 124.6736 59.3487 30.1065 177.9468 52 G 3.9494 7.7670 105.1679 44.3676 0.0000 171.9399 53 P 4.4651 0.0000 0.0000 64.4162 31.8493 176.5099 54 F 4.8813 7.8323 120.0446 57.2640 42.9991 175.6118 55 K 3.0790 8.7045 125.7944 57.2167 33.1869 174.6569 56 H 4.0308 8.4462 104.9154 56.7961 26.0807 176.2042 57 K 4.0557 8.1728 113.3313 57.6879 31.7715 175.8958 58 D 4.9798 8.4642 115.8983 53.9130 41.4609 176.1414 59 S 4.4238 8.0489 111.4849 59.8741 64.7210 174.6259 60 R 4.7097 8.1357 123.9319 55.9411 28.2452 173.0722 61 E 3.4747 7.7382 119.7333 56.2367 30.2404 172.9824 62 H 5.1379 8.2292 121.3744 54.2172 31.1589 174.1206 63 F 5.3845 9.3220 120.7223 55.6966 42.5036 173.8347 64 E 5.2420 9.1472 120.5400 54.4570 32.5218 175.1214 65 L 4.4593 9.3594 125.1230 53.5858 44.0371 174.7575 66 R 4.6456 8.3278 126.0082 55.2150 32.3143 175.8192 67 T 5.0850 8.5669 121.7025 62.5471 69.7572 174.0634 68 H 4.7997 9.2027 124.6294 55.5311 30.0423 174.5355 69 N 5.5525 8.7286 117.4601 51.6615 42.6125 173.5903 70 R 4.9700 8.9407 120.5745 54.3540 34.6105 173.9247 71 L 5.1000 9.3443 125.1250 53.2702 45.5779 175.2993 72 V 4.9713 8.4196 124.9014 61.5446 35.5928 173.2604 73 D 5.8500 8.3367 123.0429 51.7692 44.9019 174.6035 74 I 4.3468 8.3409 124.8360 59.2958 38.4366 174.4449 75 I 4.0754 8.2960 122.3986 59.5642 35.2569 172.0421 76 N 4.2244 8.6489 121.6488 51.5029 39.3904 175.3397 77 P 4.7294 0.0000 0.0000 62.0908 30.4212 176.4186 78 N 4.0479 9.7214 115.3785 55.2200 38.8441 176.4309 79 R 4.0520 8.5426 121.4380 57.3817 30.7972 177.3468 80 K 5.1123 7.7523 117.3327 57.8696 33.0824 177.8316 81 T 4.6833 7.8401 114.8842 65.7173 68.4481 176.6391 82 I 3.7566 7.2314 121.9944 63.8329 37.8320 177.4588 83 E 4.0976 7.9631 119.3626 57.9115 29.4034 178.9406 84 Q 4.0769 8.9786 121.1947 59.5275 31.2522 179.8684 85 L 3.8567 8.7207 115.3299 56.2435 40.0155 182.4323 86 M 2.7939 5.8600 119.3831 57.4850 36.2554 176.5041 87 T 4.6532 8.1462 122.6179 61.6420 69.6977 174.2579 88 L 4.6677 7.8348 121.1569 54.5059 44.2036 175.9217 89 D 4.5150 8.1283 118.7469 53.7879 39.6971 175.9831 90 L 4.7383 8.2450 119.0311 53.5786 44.3330 174.3997 91 P 4.6759 0.0000 0.0000 62.2659 32.5997 175.8190 92 T 4.2724 8.4918 116.5572 64.4954 69.9604 175.5714 93 G 4.2399 7.7180 108.2846 45.2641 0.0000 173.6502 94 V 4.6421 7.3883 117.3354 60.9812 34.8369 174.7503 95 E 4.6185 8.6112 128.3276 55.1484 31.8303 174.5729 96 I 5.0018 8.0764 123.3164 59.6719 41.2745 174.5056 97 E 4.9611 9.0524 124.9033 54.5579 32.8429 175.0028 98 I 4.8257 7.8014 114.0506 59.4809 41.1435 174.4307 99 K 4.2446 8.2256 124.3813 58.7570 37.2637 173.1078 100 T 5.0419 8.2723 113.0397 62.0291 71.9716 170.3088 *101 V 3.9936 8.2456 114.9473 62.8484 32.3498 171.4504 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 3 K 8.40 5.31 0.00 1.82 2.01 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.24 7.81 4 I 7.97 4.42 1.94 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 1.44 1.34 0.94 0.00 0.00 5 R 8.89 5.79 0.00 1.94 1.88 0.00 3.08 0.00 0.00 3.32 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 6 I 8.30 5.09 1.88 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 1.24 1.96 0.97 0.00 0.00 7 K 8.44 4.92 0.00 1.71 1.74 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.44 7.81 8 L 8.60 5.26 0.00 1.55 1.50 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.23 5.40 0.00 1.77 1.98 0.00 2.98 0.00 0.00 3.27 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 10 G 8.43 4.18 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 0.00 0.00 0.00 11 F 7.92 5.75 0.00 2.98 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 12 D 8.02 4.80 0.00 2.70 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 13 H 8.58 4.16 0.00 3.22 3.15 0.00 5.50 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.18 3.94 0.00 1.63 1.74 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.35 7.81 15 T 7.99 3.88 4.36 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 1.19 0.00 0.00 16 L 7.74 4.03 0.00 1.73 1.72 1.06 0.87 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 17 D 7.95 4.44 0.00 2.76 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 18 A 7.20 4.22 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 S 8.77 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 20 A 8.29 4.09 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 21 Q 7.78 4.04 0.00 2.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 22 K 7.94 3.95 0.00 1.99 1.94 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.46 7.81 23 I 7.19 3.95 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 1.40 0.81 0.91 0.00 0.00 24 V 7.51 3.99 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 1.09 0.00 0.00 1.01 0.00 0.00 25 E 7.65 3.98 0.00 2.21 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 2.59 2.46 0.00 26 A 7.93 5.09 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 27 A 9.05 4.69 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 28 R 8.01 3.91 0.00 1.83 2.04 0.00 3.32 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 29 R 7.89 4.32 0.00 1.91 2.04 0.00 2.97 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 30 S 8.12 4.66 0.00 4.15 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 31 G 8.00 4.55 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 32 A 8.18 4.06 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 33 Q 8.56 3.91 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.81 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 34 V 7.49 3.59 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 0.92 0.00 0.00 0.98 0.00 0.00 35 S 10.40 4.45 0.00 3.88 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 36 G 7.72 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 0.00 0.00 0.00 37 P 0.00 5.09 0.00 2.09 2.09 0.00 3.75 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 1.94 1.95 0.00 38 I 9.11 4.45 1.88 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 1.35 0.89 0.92 0.00 0.00 39 P 0.00 5.08 0.00 2.11 2.16 0.00 3.77 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 1.98 2.00 0.00 40 L 8.17 4.34 0.00 1.60 1.65 0.93 0.99 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 41 P 0.00 4.21 0.00 2.17 2.09 0.00 3.77 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 2.00 2.03 0.00 42 T 8.28 4.29 4.20 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 0.00 0.00 0.00 1.10 0.00 0.00 43 R 8.53 4.45 0.00 1.90 1.81 0.00 3.09 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 44 V 8.30 4.41 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 0.78 0.00 0.00 0.91 0.00 0.00 45 R 8.39 4.46 0.00 1.82 1.85 0.00 3.34 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.34 0.00 46 R 8.31 4.98 0.00 1.54 1.69 0.00 3.07 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 47 F 9.67 4.74 0.00 3.17 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 48 T 8.78 5.17 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 1.26 0.00 0.00 49 V 8.18 4.62 2.24 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 1.01 0.00 0.00 1.02 0.00 0.00 50 I 8.50 3.94 1.89 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 1.41 0.54 1.07 0.00 0.00 51 R 8.28 4.03 0.00 1.92 1.99 0.00 3.13 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 52 G 7.77 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 53 P 0.00 4.47 0.00 2.27 2.25 0.00 3.79 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 2.09 2.00 0.00 54 F 7.83 4.88 0.00 2.87 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 55 K 8.70 3.08 0.00 1.63 0.82 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.02 7.81 56 H 8.45 4.03 0.00 3.36 3.36 0.00 5.63 0.00 0.00 0.00 0.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.17 4.06 0.00 1.63 1.76 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.50 7.81 58 D 8.46 4.98 0.00 2.63 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 59 S 8.05 4.42 0.00 3.90 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 60 R 8.14 4.71 0.00 1.89 2.01 0.00 3.70 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 61 E 7.74 3.47 0.00 1.89 1.65 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 1.47 1.94 0.00 62 H 8.23 5.14 0.00 2.97 3.11 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.32 5.38 0.00 3.13 2.83 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 0.00 0.00 0.00 64 E 9.15 5.24 0.00 1.94 1.92 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 2.23 2.32 0.00 65 L 9.36 4.46 0.00 1.74 1.69 -0.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.33 4.65 0.00 1.81 1.76 0.00 3.45 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 67 T 8.57 5.09 4.34 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 1.31 0.00 0.00 68 H 9.20 4.80 0.00 3.17 3.28 0.00 5.55 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 69 N 8.73 5.55 0.00 2.84 2.68 0.00 0.00 6.72 7.66 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 70 R 8.94 4.97 0.00 1.69 1.77 0.00 3.24 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 71 L 9.34 5.10 0.00 1.60 1.56 0.92 0.70 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 72 V 8.42 4.97 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 0.89 0.00 0.00 0.93 0.00 0.00 73 D 8.34 5.85 0.00 2.64 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 0.00 0.00 0.00 0.00 74 I 8.34 4.35 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 1.40 0.94 0.91 0.00 0.00 75 I 8.30 4.08 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 1.48 0.52 0.91 0.00 0.00 76 N 8.65 4.22 0.00 2.86 3.03 0.00 0.00 6.76 8.03 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 77 P 0.00 4.73 0.00 2.17 2.14 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 78 N 9.72 4.05 0.00 2.78 2.83 0.00 0.00 7.08 7.54 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 79 R 8.54 4.05 0.00 1.80 1.97 0.00 3.20 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 80 K 7.75 5.11 0.00 1.69 1.87 0.00 1.48 0.00 0.00 2.55 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.56 7.81 81 T 7.84 4.68 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 1.27 0.00 0.00 82 I 7.23 3.76 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 1.29 1.19 0.91 0.00 0.00 83 E 7.96 4.10 0.00 2.23 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 2.33 2.33 0.00 84 Q 8.98 4.08 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 85 L 8.72 3.86 0.00 1.70 1.45 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 86 M 5.86 2.79 0.00 2.05 2.61 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 87 T 8.15 4.65 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 88 L 7.83 4.67 0.00 1.57 1.59 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.13 4.51 0.00 2.77 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 90 L 8.24 4.74 0.00 1.58 1.64 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.68 0.00 2.15 2.02 0.00 3.66 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 1.93 1.96 0.00 92 T 8.49 4.27 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 1.20 0.00 0.00 93 G 7.72 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 0.00 0.00 0.00 0.00 94 V 7.39 4.64 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 0.78 0.00 0.00 0.90 0.00 0.00 95 E 8.61 4.62 0.00 1.97 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 2.21 2.23 0.00 96 I 8.08 5.00 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 1.33 0.76 0.95 0.00 0.00 97 E 9.05 4.96 0.00 1.94 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 2.21 2.35 0.00 98 I 7.80 4.83 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 1.22 0.65 0.91 0.00 0.00 99 K 8.23 4.24 0.00 1.86 1.70 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 1.39 7.81 100 T 8.27 5.04 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 *101 V 8.25 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.