NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3652 8.0232 122.9396 51.8496 20.8396 175.9335 *2 F 4.8352 7.5604 114.8696 57.5895 40.8943 173.8316 3 T 4.9801 8.5767 117.4011 62.1135 71.5198 173.6333 4 T 4.4149 8.7260 122.5952 61.7708 72.1998 173.0448 5 V 4.3745 8.3026 127.0798 61.8710 32.7980 175.1548 6 I 4.4605 8.4962 128.1256 59.6980 41.1106 174.7050 7 T 4.8607 8.1349 122.1859 60.5025 69.1000 173.1224 8 P 4.9228 0.0000 0.0000 63.0170 32.3624 176.0854 9 R 4.9528 8.9082 118.8739 54.1435 33.4979 177.5019 10 V 2.9318 8.0928 119.9891 65.8428 31.5994 178.5453 11 S 4.1399 7.8921 112.5998 60.8629 62.9183 174.6880 12 E 4.0790 8.2170 119.9874 57.2654 29.5131 176.6048 13 T 4.8114 7.5985 110.1134 60.3299 70.6718 172.3292 14 D 4.9014 8.3534 120.1085 51.3056 42.2908 176.3724 15 G 3.6174 8.5402 106.7921 47.9192 0.0000 175.0403 16 V 3.5343 7.5555 118.9799 64.2944 31.5611 176.8699 17 G 4.0514 8.2943 107.2910 45.1473 0.0000 172.4272 18 H 4.9252 7.4955 114.6288 52.9268 31.2112 173.5215 19 I 4.0932 7.9086 120.5131 61.3443 37.5119 176.0011 20 N 4.6586 8.7739 124.2604 52.8092 39.7351 175.5046 21 N 4.2572 8.6244 122.0825 56.3657 35.5064 177.0605 22 T 4.0855 8.2727 110.8579 63.8896 68.9012 176.6701 23 T 3.8299 7.7321 119.4264 66.0738 68.1861 176.7474 24 V 3.1997 7.2889 120.0391 65.5312 31.5093 176.4322 25 P 4.4858 0.0000 0.0000 65.3913 31.1646 178.8331 26 V 3.6604 7.2175 116.6800 65.8347 31.5062 178.2106 27 W 4.4847 8.2758 118.9229 59.7423 28.6612 178.5747 28 F 4.6016 8.2947 117.2911 60.7577 38.8136 176.9213 29 E 4.2805 8.8211 118.8905 59.4031 29.3124 178.7081 30 A 4.2531 8.4679 120.9816 55.0185 18.2572 179.3093 31 G 3.7605 7.9286 101.9892 46.3909 0.0000 175.0524 32 R 3.9660 7.5437 119.3375 56.2905 30.2762 177.3259 33 H 3.9756 7.5106 120.0703 59.7129 29.5968 176.8279 34 E 3.7438 7.4696 117.4688 58.6577 29.5107 179.0912 35 I 3.7781 6.7480 119.8525 64.3253 37.2620 177.9153 36 F 4.2994 7.6080 118.7490 60.7196 38.8460 177.7350 37 K 4.1271 8.0685 119.0300 59.3883 31.6961 178.8931 38 L 3.9621 7.4820 118.2892 57.6244 41.5357 179.0852 39 F 4.2395 7.9837 116.5157 59.1243 40.3674 175.9344 40 T 4.5396 8.1728 115.7191 60.3920 69.3352 172.1619 41 P 4.7310 0.0000 0.0000 64.5072 31.7027 177.0939 42 D 4.6354 8.1030 114.2218 52.3278 39.5671 175.7677 43 L 3.7654 8.1333 118.0389 55.7517 40.1822 174.3701 44 S 4.2747 8.0284 112.8755 57.9433 63.1684 175.2796 45 F 4.4966 8.6824 125.9516 60.3430 39.0267 177.7675 46 K 4.1541 8.3079 119.0646 58.7208 31.9856 177.7092 47 R 4.6961 7.6710 116.1209 55.4539 30.3480 176.1559 48 W 4.3300 7.9359 127.8144 57.8663 31.5173 176.6968 49 R 5.3824 7.2084 119.1359 54.5278 29.7246 172.0499 *51 V 4.2606 7.7635 124.3299 63.2676 33.3033 174.0195 52 I 3.3806 8.3635 128.7523 60.8615 37.9310 175.2115 53 I 4.4234 8.7957 121.4237 61.1757 39.9586 174.5127 54 R 4.3845 7.3637 121.2686 55.4766 33.9606 172.7785 *56 E 4.4598 8.5498 118.2614 56.2173 31.1590 175.5309 57 V 4.7662 8.2961 122.6167 61.3096 34.7740 173.9101 58 D 4.8122 9.3335 128.3552 53.2322 42.6282 175.4025 59 Y 4.6479 8.7890 122.4381 57.2026 37.3844 175.5405 60 V 3.9856 8.6838 125.3466 65.0836 32.2582 176.0667 61 N 5.0954 7.8764 114.2699 51.4153 42.6128 175.0958 62 Q 4.0117 8.2762 119.3435 55.7671 29.8814 175.1069 *64 Y 4.4879 8.0273 114.7995 58.1549 38.9809 174.6770 65 Y 4.3110 8.7309 124.3571 59.2287 39.3311 176.0793 66 G 3.6702 8.4000 112.6693 45.3284 0.0000 173.4491 67 Q 4.4532 7.5114 119.3440 53.9347 32.2496 173.9376 68 D 4.6694 8.5180 123.5843 54.7009 42.3029 175.5243 69 V 4.5378 8.2268 113.3672 59.8444 35.9558 174.7245 70 T 4.7237 8.6566 119.0032 61.7510 71.7771 173.1239 71 V 4.6558 8.5808 126.9677 61.6725 33.5002 173.8773 72 Y 5.3346 8.9959 125.8687 56.7165 40.4181 174.9733 73 T 5.2583 9.0074 120.4053 62.0526 72.3852 173.5109 74 G 3.5715 9.6705 112.4475 44.7048 0.0000 171.0499 75 I 4.7556 8.7193 121.3387 60.4894 37.9859 176.8128 76 E 4.3409 9.7548 129.3509 58.3817 30.4544 176.6696 77 R 4.6892 7.9181 118.3164 54.6730 34.0628 174.1340 78 I 4.5330 8.5965 126.9359 59.7474 37.5432 175.4195 79 G 4.0439 8.5990 117.7546 44.5449 0.0000 171.2800 80 N 4.4635 8.9458 116.9163 56.5419 39.3014 177.5897 81 T 4.6590 7.9452 106.5448 61.3527 70.8695 173.6875 82 S 5.5176 7.8671 116.5738 56.5523 66.3244 172.9625 83 L 5.3274 8.8338 119.9382 54.4961 44.2934 175.1073 84 T 5.1390 8.9865 117.6154 62.0883 71.2934 173.1431 85 I 4.8995 9.3213 127.9384 60.0071 39.4866 173.9704 86 Y 5.2522 9.0304 128.3590 56.1034 40.9961 174.0951 87 E 5.2132 7.3888 122.5856 55.2470 33.4562 173.7816 88 E 5.4416 9.7626 120.7569 54.9352 34.6220 174.2948 89 I 5.0907 9.1346 123.1222 60.0005 40.3188 174.3663 90 H 5.5758 9.5576 123.8430 54.1167 32.3636 172.8363 91 Q 4.6136 8.6087 121.9647 54.9078 32.6677 174.5014 92 N 4.0221 9.9569 122.8277 54.7795 37.4897 174.5969 93 G 3.9915 8.6431 101.0125 45.2924 0.0000 173.9081 94 V 4.3628 7.5350 119.2542 60.1344 33.8486 175.1622 95 V 3.7879 8.3559 126.8647 63.3870 32.0005 174.9695 96 C 4.8880 9.5779 124.4326 60.1942 31.0418 173.5826 97 A 5.2282 7.7617 118.9387 50.5241 22.6066 175.2795 98 K 5.0091 9.1904 119.8535 54.7409 36.5630 175.8645 99 G 4.0772 9.1821 110.7851 44.4591 0.0000 171.4461 100 R 5.4240 8.6182 119.9984 54.1199 33.6163 175.2651 101 S 4.9282 9.0776 116.3964 56.6156 67.1312 172.7769 102 V 4.9232 8.9255 121.9337 61.5500 33.9687 173.9836 103 Y 5.1217 8.9740 124.8513 56.3189 41.4249 174.9828 104 V 5.0222 8.8289 114.8480 59.3440 34.8326 175.3215 105 N 4.6967 9.1478 123.5977 53.7850 39.9768 173.5490 106 F 4.8580 9.4311 128.3008 56.3598 43.4100 172.9304 107 N 4.9460 7.7856 124.8858 51.9206 39.2092 175.3254 108 F 4.5613 8.9471 125.4475 59.6271 39.6010 176.9707 109 D 4.5833 8.6081 121.1254 56.7290 40.7027 177.3167 110 T 4.2602 7.9612 106.2161 60.6678 69.9045 174.8618 111 G 3.9206 8.1457 110.1245 46.4342 0.0000 173.3914 112 R 4.5439 6.6953 116.3489 52.9162 34.4590 173.3442 113 P 4.7330 0.0000 0.0000 62.9076 32.1937 175.6816 114 E 4.7455 8.9818 121.2540 53.7214 33.5873 173.8149 115 P 4.5127 0.0000 0.0000 63.2187 32.1488 176.1967 116 I 3.9939 8.7400 125.5149 60.6467 37.6010 174.7213 117 P 4.3865 0.0000 0.0000 62.4225 32.2290 176.8341 118 D 4.3794 8.9463 121.7205 58.1035 40.4700 179.3548 119 D 4.3219 7.9922 118.0067 56.7646 40.7178 178.8089 120 I 3.6269 7.4946 120.3720 64.1293 37.3960 177.9078 121 R 3.8547 7.9020 118.9867 59.4595 29.6950 179.0355 122 V 3.5540 7.6863 116.6195 66.1855 31.5853 178.0185 123 K 4.1213 7.3240 115.3844 59.3212 32.0580 179.1560 124 L 4.2115 8.2365 119.6691 57.6373 41.1987 179.5343 125 R 3.9079 7.9246 117.9437 59.2519 29.6636 178.7879 126 E 4.0261 8.1863 117.6875 58.4912 29.3217 177.8006 127 H 5.1677 7.8716 114.5864 54.3701 29.2918 173.6437 128 V 4.2374 7.1530 119.4212 61.9427 31.8139 176.1756 129 W 4.5365 8.7506 126.4199 57.4887 28.9415 175.8174 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 0 A 8.02 4.37 1.14 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 0.00 0.00 *2 F 7.56 4.84 0.00 2.97 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 3 T 8.58 4.98 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 1.06 0.00 0.00 4 T 8.73 4.41 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 1.12 0.00 0.00 5 V 8.30 4.37 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 0.68 0.00 0.00 0.83 0.00 0.00 6 I 8.50 4.46 1.20 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.67 0.34 0.00 0.00 7 T 8.13 4.86 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 1.22 0.00 0.00 8 P 0.00 4.92 0.00 2.33 2.48 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 9 R 8.91 4.95 0.00 2.03 1.83 0.00 3.24 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 10 V 8.09 2.93 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 0.82 0.00 0.00 0.23 0.00 0.00 11 S 7.89 4.14 0.00 3.98 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 12 E 8.22 4.08 0.00 2.32 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 2.24 2.27 0.00 13 T 7.60 4.81 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 1.28 0.00 0.00 14 D 8.35 4.90 0.00 2.85 2.76 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 15 G 8.54 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.56 3.53 1.86 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 0.63 0.00 0.00 0.90 0.00 0.00 17 G 8.29 4.05 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 0.00 18 H 7.50 4.93 0.00 3.02 3.33 0.00 5.49 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.91 4.09 1.79 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.09 0.48 0.00 0.00 20 N 8.77 4.66 0.00 2.71 2.56 0.00 0.00 6.63 7.56 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 21 N 8.62 4.26 0.00 2.52 2.58 0.00 0.00 5.89 7.22 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 22 T 8.27 4.09 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 1.20 0.00 0.00 23 T 7.73 3.83 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 -0.39 0.00 0.00 24 V 7.29 3.20 2.29 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 0.67 0.00 0.00 0.89 0.00 0.00 25 P 0.00 4.49 0.00 2.25 2.20 0.00 3.74 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 2.18 2.26 0.00 26 V 7.22 3.66 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 1.11 0.00 0.00 0.94 0.00 0.00 27 W 8.28 4.48 0.00 3.38 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 28 F 8.29 4.60 0.00 3.11 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 29 E 8.82 4.28 0.00 2.37 2.31 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 2.74 2.79 0.00 30 A 8.47 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.93 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 0.00 0.00 0.00 32 R 7.54 3.97 0.00 1.54 0.84 0.00 3.29 0.00 0.00 3.05 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.76 0.00 33 H 7.51 3.98 0.00 3.28 3.19 0.00 5.78 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 34 E 7.47 3.74 0.00 1.16 1.12 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 1.98 1.99 0.00 35 I 6.75 3.78 1.62 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 1.74 0.81 0.93 0.00 0.00 36 F 7.61 4.30 0.00 3.11 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 37 K 8.07 4.13 0.00 1.87 1.79 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 38 L 7.48 3.96 0.00 1.82 1.57 1.08 0.69 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 39 F 7.98 4.24 0.00 2.94 2.95 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 40 T 8.17 4.54 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 1.33 0.00 0.00 41 P 0.00 4.73 0.00 2.01 2.11 0.00 3.69 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 42 D 8.10 4.64 0.00 2.76 2.76 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 43 L 8.13 3.77 0.00 1.71 1.77 0.86 0.92 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 44 S 8.03 4.27 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.68 4.50 0.00 3.07 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 46 K 8.31 4.15 0.00 1.82 1.94 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.53 7.81 47 R 7.67 4.70 0.00 1.84 1.98 0.00 3.20 0.00 0.00 3.18 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 48 W 7.94 4.33 0.00 3.63 3.07 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 0.00 0.00 0.00 0.00 49 R 7.21 5.38 0.00 2.15 2.13 0.00 3.63 0.00 0.00 3.77 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.46 0.00 *51 V 7.76 4.26 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 0.70 0.00 0.00 0.68 0.00 0.00 52 I 8.36 3.38 1.14 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.24 0.77 0.00 0.00 53 I 8.80 4.42 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 1.18 0.82 0.88 0.00 0.00 54 R 7.36 4.38 0.00 1.85 1.77 0.00 3.21 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 *56 E 8.55 4.46 0.00 1.99 1.91 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 2.31 2.32 0.00 57 V 8.30 4.77 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 0.21 0.00 0.00 1.03 0.00 0.00 58 D 9.33 4.81 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.79 4.65 0.00 2.82 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 60 V 8.68 3.99 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 0.77 0.00 0.00 1.02 0.00 0.00 61 N 7.88 5.10 0.00 2.73 2.69 0.00 0.00 6.92 7.69 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 62 Q 8.28 4.01 0.00 2.03 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 *64 Y 8.03 4.49 0.00 3.14 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 65 Y 8.73 4.31 0.00 2.96 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 66 G 8.40 3.67 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 0.00 0.00 0.00 67 Q 7.51 4.45 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 68 D 8.52 4.67 0.00 2.57 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 69 V 8.23 4.54 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 0.58 0.00 0.00 0.01 0.00 0.00 70 T 8.66 4.72 4.07 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 0.00 0.00 0.00 0.56 0.00 0.00 71 V 8.58 4.66 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 1.24 0.00 0.00 0.83 0.00 0.00 72 Y 9.00 5.33 0.00 3.21 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 73 T 9.01 5.26 4.47 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 1.29 0.00 0.00 74 G 9.67 3.57 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 0.00 0.00 0.00 75 I 8.72 4.76 1.93 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 1.32 1.09 1.06 0.00 0.00 76 E 9.75 4.34 0.00 2.15 2.22 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 2.35 2.29 0.00 77 R 7.92 4.69 0.00 1.92 1.75 0.00 3.23 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 78 I 8.60 4.53 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 1.42 0.81 0.97 0.00 0.00 79 G 8.60 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 80 N 8.95 4.46 0.00 2.76 2.84 0.00 0.00 6.52 7.22 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 81 T 7.95 4.66 4.40 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 1.23 0.00 0.00 82 S 7.87 5.52 0.00 4.03 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 83 L 8.83 5.33 0.00 2.00 1.90 1.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.99 5.14 4.33 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 1.35 0.00 0.00 85 I 9.32 4.90 2.07 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 1.18 0.91 1.05 0.00 0.00 86 Y 9.03 5.25 0.00 3.10 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 87 E 7.39 5.21 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 1.61 1.47 0.00 88 E 9.76 5.44 0.00 2.15 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 0.00 2.22 2.07 0.00 89 I 9.13 5.09 1.89 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.90 0.99 0.00 0.00 90 H 9.56 5.58 0.00 3.19 3.34 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.61 4.61 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.26 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 92 N 9.96 4.02 0.00 3.09 2.89 0.00 0.00 7.12 7.98 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 93 G 8.64 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 94 V 7.54 4.36 2.25 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 1.01 0.00 0.00 0.97 0.00 0.00 95 V 8.36 3.79 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 0.93 0.00 0.00 0.85 0.00 0.00 96 C 9.58 4.89 0.00 2.92 3.12 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 97 A 7.76 5.23 1.11 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 0.00 0.00 0.00 0.00 0.00 98 K 9.19 5.01 0.00 1.72 1.73 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.43 7.81 99 G 9.18 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 0.00 0.00 0.00 100 R 8.62 5.42 0.00 1.82 1.83 0.00 3.30 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 101 S 9.08 4.93 0.00 3.93 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 0.00 102 V 8.93 4.92 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 1.02 0.00 0.00 0.96 0.00 0.00 103 Y 8.97 5.12 0.00 2.99 2.79 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 0.00 104 V 8.83 5.02 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 0.70 0.00 0.00 1.11 0.00 0.00 105 N 9.15 4.70 0.00 3.06 3.01 0.00 0.00 6.63 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 0.00 106 F 9.43 4.86 0.00 2.93 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 0.00 107 N 7.79 4.95 0.00 2.80 2.48 0.00 0.00 6.99 7.23 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 0.00 108 F 8.95 4.56 0.00 3.29 3.26 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 0.00 109 D 8.61 4.58 0.00 2.85 2.76 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 0.00 110 T 7.96 4.26 4.17 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 1.17 0.00 0.00 111 G 8.15 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 0.00 0.00 0.00 112 R 6.70 4.54 0.00 1.49 1.62 0.00 3.06 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 113 P 0.00 4.73 0.00 1.95 2.08 0.00 3.57 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 2.09 2.32 0.00 114 E 8.98 4.75 0.00 1.69 1.75 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 2.13 2.26 0.00 115 P 0.00 4.51 0.00 1.94 2.02 0.00 3.67 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 2.03 2.26 0.00 116 I 8.74 3.99 1.94 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 1.54 0.61 0.92 0.00 0.00 117 P 0.00 4.39 0.00 2.12 1.95 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 118 D 8.95 4.38 0.00 2.66 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 0.00 119 D 7.99 4.32 0.00 2.63 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 0.00 120 I 7.49 3.63 1.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 -0.13 0.00 0.00 121 R 7.90 3.85 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 122 V 7.69 3.55 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 0.80 0.00 0.00 0.97 0.00 0.00 123 K 7.32 4.12 0.00 1.85 1.82 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.62 7.81 124 L 8.24 4.21 0.00 1.82 1.75 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.92 3.91 0.00 2.03 1.95 0.00 3.11 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 126 E 8.19 4.03 0.00 1.43 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 2.54 2.23 0.00 127 H 7.87 5.17 0.00 3.03 2.82 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.15 4.24 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 0.96 0.00 0.00 129 W 8.75 4.54 0.00 3.30 3.07 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.