NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3146 8.1749 115.2523 61.3395 68.4082 173.0166 3 I 3.7938 7.9573 124.3657 60.7888 37.3068 176.6128 4 F 4.4862 9.1989 123.0340 58.9523 39.7764 174.9204 5 E 4.5316 7.8294 118.8556 55.2556 30.9422 175.7831 6 K 4.1933 8.0056 117.2984 56.0539 31.0163 176.2752 7 K 4.2690 8.1708 123.2139 54.9975 33.7881 175.5868 8 P 4.0098 0.0000 0.0000 62.7724 31.7424 175.1778 9 D 4.5830 8.1459 121.9000 53.2111 42.3574 176.4707 10 F 4.9332 8.4837 123.2733 57.5154 39.7251 177.5327 11 T 3.9421 7.7092 116.1520 66.9287 68.4475 175.9081 12 L 3.9318 7.8935 121.3065 57.9583 42.2559 178.2379 13 F 4.2110 8.3881 120.2015 61.6784 39.2684 177.0437 14 L 3.8938 8.5101 118.6244 57.4322 41.2697 179.5500 15 Q 3.9758 8.1059 118.5992 59.1120 28.6789 178.7676 16 T 3.8244 7.6206 110.5386 64.2807 68.8434 176.6609 17 L 3.6730 7.8595 123.8771 57.8952 42.1151 179.0342 18 S 2.9821 7.4026 114.1581 60.7222 62.4171 176.6246 19 W 3.6729 7.8106 122.1104 59.5050 28.8954 178.0053 20 E 3.9877 8.2720 119.1650 59.4536 29.0783 178.9767 21 I 3.7587 7.9686 119.8025 64.5899 36.9962 178.0674 22 D 4.4335 7.8658 118.4826 57.4700 40.6464 178.2145 23 D 4.4013 7.7310 117.7090 57.3506 41.3357 177.9560 24 Q 4.2361 7.9782 117.5884 57.0636 29.0762 176.2587 25 V 4.5329 7.2974 110.7001 59.0964 35.6798 175.7134 26 G 3.9835 8.1142 109.2754 45.0074 0.0000 173.9540 27 I 3.7046 8.4519 118.9540 64.7076 37.1457 178.0837 28 E 3.9920 8.0663 119.4623 59.1028 29.6477 178.7431 29 V 3.6390 7.7097 118.0518 65.5170 31.6431 177.9498 30 R 3.8601 7.7389 118.8086 59.5459 30.0056 178.3229 31 N 4.2098 8.4637 116.7147 56.1223 38.5511 177.0531 32 E 3.9308 8.1244 120.7696 58.6381 29.6038 178.4106 33 L 3.8922 7.7206 120.3213 58.3741 42.2116 179.1748 34 L 3.8780 7.7980 118.6147 57.4369 41.4116 179.6507 35 R 4.0303 7.9855 118.3846 59.2456 29.9604 178.6896 36 E 3.8647 7.9061 118.5956 59.1486 29.4269 178.8399 37 V 3.6269 7.8722 117.8099 65.8886 31.4050 177.9120 38 G 3.5677 8.0958 105.3489 47.9033 0.0000 175.8423 39 R 4.0460 7.8424 119.7451 58.5410 30.0064 179.9229 40 G 3.7956 8.1147 104.7069 44.9145 0.0000 175.4877 *42 G 3.7829 8.1414 111.2150 44.8889 0.0000 174.7610 43 T 4.2510 7.3788 108.2179 62.6941 69.4560 175.8027 44 R 4.3990 7.8959 120.0478 56.5946 31.3315 176.2684 45 I 4.5803 7.3329 109.2915 58.1264 40.5931 172.6949 *47 P 3.9367 0.0000 0.0000 61.5659 32.0386 174.2189 48 P 4.3992 0.0000 0.0000 61.6289 32.0510 174.0013 49 P 4.3786 0.0000 0.0000 62.4800 31.1134 175.9362 50 C 4.6667 8.3091 121.4151 58.1689 29.8077 174.3245 51 Q 4.1429 8.6867 122.9818 58.5143 28.8105 176.6367 52 T 4.7589 7.3829 106.3271 58.8048 73.3986 174.9347 53 V 3.5193 8.1618 119.7405 66.0367 31.5416 177.0676 54 D 4.3260 8.1098 117.2921 57.5949 41.0502 178.4131 55 K 3.9621 7.7466 118.7738 59.3378 31.9664 179.1653 56 L 3.9156 7.9571 120.7244 57.9689 41.9855 178.7080 57 Q 3.9556 8.3865 119.9178 59.2409 29.0018 178.3886 58 I 3.6725 7.6787 120.6605 64.5749 37.3205 178.1849 59 E 3.8818 8.1478 119.2398 59.5040 29.1987 179.5866 60 L 3.5885 8.0429 118.9964 57.6035 41.5993 179.1665 61 N 4.4201 8.3807 116.3373 56.1830 38.2770 177.3145 62 A 3.9608 7.9362 122.2285 54.9713 18.3405 179.6964 63 L 3.8388 7.6098 117.0558 58.0567 41.7549 179.6721 64 L 4.0780 8.3680 119.0565 57.9829 41.3413 179.5956 65 A 4.1249 8.2212 120.0666 54.8316 18.3250 178.4630 66 L 4.0475 7.5875 119.1354 57.4425 42.2044 177.6297 67 I 4.3617 7.3425 108.3934 59.8007 38.3243 175.3591 68 G 3.9396 8.2993 109.0453 47.2641 0.0000 174.3549 69 W 4.6063 8.4547 116.7201 55.8060 29.9706 175.1635 70 G 3.9311 8.0302 104.0635 44.0507 0.0000 172.8922 71 T 5.1496 8.3016 108.6617 59.9819 72.7145 173.3353 72 V 5.1104 9.0573 120.9988 60.2971 34.8221 174.6531 73 T 4.8819 8.7899 112.4800 59.9361 71.8124 172.6224 74 L 5.2026 9.3250 123.8084 52.9540 44.5129 175.5560 75 E 4.6093 8.8190 123.9045 54.2294 32.8989 174.3402 76 L 4.5432 8.6781 127.2241 54.5648 42.7087 176.8135 77 L 4.4647 9.2701 126.0656 52.8754 42.1750 176.8742 78 S 4.6127 8.4294 118.2319 58.7171 62.6247 175.1903 79 E 4.5620 8.1176 120.5118 56.2711 31.6240 176.1937 80 D 4.6446 8.1557 115.3073 53.1111 41.8483 175.7263 81 Q 3.3139 7.9940 115.4685 57.2668 26.4545 172.8428 82 S 4.8964 8.2391 111.3974 56.5645 67.7390 173.6832 83 L 5.0318 8.3543 121.7374 53.2230 44.5177 174.9321 84 R 3.7928 8.9450 128.3870 55.7444 31.4283 174.8896 85 I 4.5757 7.8598 126.9861 59.5611 39.7475 174.6059 86 V 4.4049 8.4209 128.2709 61.4591 33.4525 173.7029 87 H 5.1749 9.3954 129.8321 55.0080 31.3465 173.7921 88 E 4.7597 9.0703 125.7760 55.1112 32.1340 175.5984 89 N 4.1805 8.7224 116.3752 53.5623 36.0440 174.8930 90 L 3.8820 8.0565 119.1731 54.8135 42.6209 174.8227 91 P 4.0632 0.0000 0.0000 62.9140 31.6242 175.5161 92 Q 4.4662 8.3771 123.8088 54.7963 30.3777 175.9054 93 V 4.3658 7.9909 123.1634 61.2598 32.1336 175.3950 94 G 3.8457 7.8499 111.0922 45.2977 0.0000 172.4334 95 S 4.6902 8.5387 112.6991 57.7893 64.3867 174.0900 96 A 4.0122 7.7818 124.9391 53.3865 18.6540 176.3008 97 G 4.1427 8.7762 105.8745 44.6337 0.0000 173.6683 98 E 4.4937 8.3080 117.5419 53.4092 31.6619 174.4324 99 P 4.4863 0.0000 0.0000 61.8196 32.2804 176.0499 100 S 4.6894 7.9397 114.2064 60.0654 63.0154 175.2780 101 G 4.3166 9.2615 113.6451 45.2182 0.0000 174.6269 102 T 4.5496 7.7223 108.9926 61.1245 69.1207 176.2292 103 W 4.3181 8.5427 134.1945 61.5713 30.8349 177.3292 104 L 4.1624 8.0584 115.3858 55.4569 41.1328 178.3199 105 A 4.0196 8.1997 122.5704 54.8998 18.2986 177.7803 106 P 4.3965 0.0000 0.0000 64.7309 31.3910 178.7976 107 V 3.7510 7.6179 117.8645 66.0029 31.3178 177.9288 108 L 3.9504 7.7211 118.8683 57.5728 41.4024 179.3407 109 E 4.0871 8.0852 118.3308 59.3920 29.5448 179.4889 110 G 3.4645 7.8964 105.6075 47.5380 0.0000 175.4310 111 L 3.5218 7.7428 124.6309 57.4715 42.0436 178.8108 112 Y 4.2110 7.9261 116.9145 60.7658 37.6059 178.6824 113 G 3.6792 8.1247 106.9844 47.9167 0.0000 175.7491 114 R 3.9714 7.9951 121.0197 58.7104 29.8260 178.7341 115 W 4.4861 7.7218 117.9622 59.6889 29.3661 178.4284 116 V 3.8334 8.2149 118.2384 66.4694 31.0634 178.0738 117 T 4.0203 7.8185 115.8564 66.7241 68.1483 176.4160 118 S 4.3926 7.9600 113.9022 60.1773 62.9270 174.5181 119 Q 4.5332 7.8498 121.7374 55.7006 29.6447 175.8256 120 A 4.2844 8.3385 121.1303 53.1880 19.1123 179.4258 121 G 3.9318 7.9764 103.6114 45.6472 0.0000 173.2706 122 A 3.8250 8.2669 120.6164 54.1912 18.4777 178.5814 123 F 4.9037 7.8155 111.4897 57.1492 40.3472 175.4386 124 G 3.8599 7.6023 109.1167 43.6403 0.0000 173.1271 125 D 4.5288 7.4609 122.3444 52.4994 43.3938 173.1676 126 Y 5.4396 8.4656 122.0734 56.0786 40.9916 175.5547 127 V 4.6280 8.9067 115.6355 59.5916 35.0592 175.1809 128 V 4.7832 8.4361 122.9884 61.4253 33.2230 174.8570 129 T 4.9132 8.6170 117.7396 59.5852 71.6010 173.7168 130 R 4.1314 9.4451 126.2265 56.5347 30.8383 175.2160 131 D 4.9161 9.0103 127.6481 52.8085 41.3857 176.0788 132 V 3.9545 8.4081 127.1873 63.6175 32.6110 178.3568 133 D 4.2875 8.1798 120.0122 55.9535 39.6163 177.5184 134 A 4.2515 9.6213 121.8195 53.2008 18.0369 177.7066 135 E 4.5809 8.0303 116.5589 56.3326 29.5259 177.5446 136 D 4.5183 8.1432 121.1127 54.4616 41.1612 178.5673 137 L 4.0968 7.8529 118.3748 57.0351 41.9914 177.8093 138 N 4.2916 7.8343 115.2551 54.2364 39.2329 175.1185 139 A 3.7617 7.2792 120.5135 53.1296 16.4570 176.7261 140 V 3.9007 7.1075 114.9994 59.9946 33.0485 175.5991 141 P 4.4157 0.0000 0.0000 62.5678 31.9109 177.6285 142 R 3.8535 8.6922 120.8025 59.7536 30.1163 177.4218 143 Q 4.4426 8.0571 114.4539 56.1286 28.8414 174.2974 144 T 4.9771 7.7329 116.0707 62.3888 69.8755 174.2213 145 I 4.6649 9.0036 127.8262 59.6747 39.7343 175.1376 146 I 4.9565 8.4994 127.0629 59.3115 40.2943 174.7926 *148 Y 4.7526 7.7856 118.6941 58.1714 40.3061 174.3303 *150 R 4.5689 8.3445 119.0087 56.6220 32.2826 175.4003 151 V 3.9698 8.6023 121.2279 63.3627 32.0101 175.7178 152 R 4.1165 9.0739 129.6686 56.6446 30.0565 176.6358 153 S 4.0967 8.9787 121.5887 61.2830 63.8746 174.3228 154 S 3.5843 7.9599 112.4470 58.6904 59.9352 169.4546 155 A 4.5312 7.8614 122.7673 53.0968 21.2341 176.3649 156 T 4.1733 7.6487 112.6587 62.2778 67.7802 173.3476 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 T 8.17 4.31 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 1.25 0.00 0.00 3 I 7.96 3.79 1.91 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 1.43 0.61 0.98 0.00 0.00 4 F 9.20 4.49 0.00 2.88 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 5 E 7.83 4.53 0.00 1.93 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 2.23 2.30 0.00 6 K 8.01 4.19 0.00 1.78 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.35 7.81 7 K 8.17 4.27 0.00 1.85 1.80 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 8 P 0.00 4.01 0.00 1.28 1.61 0.00 3.63 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 9 D 8.15 4.58 0.00 2.54 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 10 F 8.48 4.93 0.00 3.24 3.22 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 11 T 7.71 3.94 4.29 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 1.22 0.00 0.00 12 L 7.89 3.93 0.00 1.69 1.70 0.91 0.80 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 13 F 8.39 4.21 0.00 3.27 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.51 3.89 0.00 1.96 1.64 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.11 3.98 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 16 T 7.62 3.82 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 17 L 7.86 3.67 0.00 0.98 1.15 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.40 2.98 0.00 2.72 2.63 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 0.00 0.00 0.00 19 W 7.81 3.67 0.00 3.48 3.31 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 20 E 8.27 3.99 0.00 2.11 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 0.00 2.33 2.43 0.00 21 I 7.97 3.76 2.08 0.00 0.00 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 1.61 0.82 1.08 0.00 0.00 22 D 7.87 4.43 0.00 2.74 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 23 D 7.73 4.40 0.00 2.83 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 24 Q 7.98 4.24 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 25 V 7.30 4.53 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 0.70 0.00 0.00 1.00 0.00 0.00 26 G 8.11 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 27 I 8.45 3.70 1.85 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 1.51 0.47 0.89 0.00 0.00 28 E 8.07 3.99 0.00 2.06 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 2.36 2.40 0.00 29 V 7.71 3.64 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 0.98 0.00 0.00 0.92 0.00 0.00 30 R 7.74 3.86 0.00 2.01 2.16 0.00 3.50 0.00 0.00 3.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.79 0.00 31 N 8.46 4.21 0.00 2.80 2.77 0.00 0.00 6.73 7.27 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 32 E 8.12 3.93 0.00 2.21 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 2.28 2.33 0.00 33 L 7.72 3.89 0.00 1.95 1.79 0.96 0.51 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 34 L 7.80 3.88 0.00 1.49 1.45 -0.30 0.43 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 35 R 7.99 4.03 0.00 2.04 1.92 0.00 3.25 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 36 E 7.91 3.86 0.00 2.20 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 2.28 2.32 0.00 37 V 7.87 3.63 2.16 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 0.84 0.00 0.00 0.93 0.00 0.00 38 G 8.10 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 39 R 7.84 4.05 0.00 1.88 1.95 0.00 3.14 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 40 G 8.11 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 *42 G 8.14 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 0.00 0.00 0.00 43 T 7.38 4.25 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 1.22 0.00 0.00 44 R 7.90 4.40 0.00 1.78 2.00 0.00 3.19 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 45 I 7.33 4.58 1.93 0.00 0.00 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 1.48 0.84 0.91 0.00 0.00 *47 P 0.00 3.94 0.00 2.03 1.75 0.00 3.56 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.42 0.00 48 P 0.00 4.40 0.00 2.16 2.08 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 49 P 0.00 4.38 0.00 2.05 2.04 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 50 C 8.31 4.67 0.00 2.93 2.82 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 51 Q 8.69 4.14 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 52 T 7.38 4.76 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 53 V 8.16 3.52 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 1.09 0.00 0.00 0.91 0.00 0.00 54 D 8.11 4.33 0.00 2.82 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 55 K 7.75 3.96 0.00 1.79 1.82 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 56 L 7.96 3.92 0.00 1.83 1.83 0.87 0.83 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 57 Q 8.39 3.96 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 58 I 7.68 3.67 1.98 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 1.51 0.65 0.89 0.00 0.00 59 E 8.15 3.88 0.00 2.00 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 2.48 2.42 0.00 60 L 8.04 3.59 0.00 1.72 1.76 1.19 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.38 4.42 0.00 2.95 2.88 0.00 0.00 6.89 7.20 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 62 A 7.94 3.96 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 63 L 7.61 3.84 0.00 1.66 1.60 0.77 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.37 4.08 0.00 1.77 2.04 1.22 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.22 4.12 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 66 L 7.59 4.05 0.00 1.77 1.88 0.93 1.35 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 67 I 7.34 4.36 1.88 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 0.87 0.00 0.00 68 G 8.30 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 69 W 8.45 4.61 0.00 3.31 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 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 71 T 8.30 5.15 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 1.24 0.00 0.00 72 V 9.06 5.11 2.32 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 0.90 0.00 0.00 0.89 0.00 0.00 73 T 8.79 4.88 4.22 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 1.20 0.00 0.00 74 L 9.33 5.20 0.00 1.43 1.54 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.82 4.61 0.00 1.98 1.71 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 2.19 2.24 0.00 76 L 8.68 4.54 0.00 1.57 1.61 0.92 0.97 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 77 L 9.27 4.46 0.00 1.85 1.66 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.43 4.61 0.00 3.87 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 79 E 8.12 4.56 0.00 1.91 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 0.00 2.20 2.26 0.00 80 D 8.16 4.64 0.00 2.59 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 81 Q 7.99 3.31 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 82 S 8.24 4.90 0.00 4.04 4.11 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 83 L 8.35 5.03 0.00 1.60 1.47 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.94 3.79 0.00 1.80 1.65 0.00 3.00 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.00 85 I 7.86 4.58 1.53 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.09 0.25 0.00 0.00 86 V 8.42 4.40 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 0.91 0.00 0.00 0.83 0.00 0.00 87 H 9.40 5.17 0.00 3.31 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.07 4.76 0.00 1.94 1.84 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 2.26 2.27 0.00 89 N 8.72 4.18 0.00 2.90 2.92 0.00 0.00 6.88 7.85 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 90 L 8.06 3.88 0.00 1.61 1.75 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.06 0.00 1.49 1.65 0.00 3.00 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.51 0.00 92 Q 8.38 4.47 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.40 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 93 V 7.99 4.37 2.16 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 0.77 0.00 0.00 0.95 0.00 0.00 94 G 7.85 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 95 S 8.54 4.69 0.00 4.08 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 96 A 7.78 4.01 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 97 G 8.78 4.14 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 0.00 98 E 8.31 4.49 0.00 1.89 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 2.19 2.32 0.00 99 P 0.00 4.49 0.00 2.23 2.19 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 100 S 7.94 4.69 0.00 3.90 4.03 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 0.00 101 G 9.26 4.32 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 0.00 102 T 7.72 4.55 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 0.00 103 W 8.54 4.32 0.00 3.31 3.36 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 0.00 104 L 8.06 4.16 0.00 1.76 1.62 1.28 0.84 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 0.00 105 A 8.20 4.02 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 0.00 106 P 0.00 4.40 0.00 2.00 2.00 0.00 3.42 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 107 V 7.62 3.75 2.41 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 1.08 0.00 0.00 1.02 0.00 0.00 108 L 7.72 3.95 0.00 2.02 1.87 1.09 0.76 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 0.00 109 E 8.09 4.09 0.00 2.19 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 0.00 2.41 2.38 0.00 110 G 7.90 3.46 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 0.00 111 L 7.74 3.52 0.00 1.28 1.10 -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 7.93 4.21 0.00 3.13 2.97 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 0.00 113 G 8.12 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 3.97 0.00 1.85 1.88 0.00 3.15 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 115 W 7.72 4.49 0.00 3.61 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 0.00 116 V 8.21 3.83 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.00 0.00 0.00 117 T 7.82 4.02 4.32 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 1.26 0.00 0.00 118 S 7.96 4.39 0.00 4.07 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 0.00 119 Q 7.85 4.53 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 120 A 8.34 4.28 1.61 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 0.00 0.00 121 G 7.98 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 0.00 122 A 8.27 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.82 4.90 0.00 3.05 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 0.00 124 G 7.60 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.46 4.53 0.00 2.60 2.34 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 0.00 126 Y 8.47 5.44 0.00 2.94 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 0.00 127 V 8.91 4.63 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 0.69 0.00 0.00 0.98 0.00 0.00 128 V 8.44 4.78 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 0.86 0.00 0.00 1.00 0.00 0.00 129 T 8.62 4.91 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 1.24 0.00 0.00 130 R 9.45 4.13 0.00 1.90 1.89 0.00 3.22 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 131 D 9.01 4.92 0.00 3.02 2.82 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 0.00 132 V 8.41 3.95 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 0.80 0.00 0.00 0.94 0.00 0.00 133 D 8.18 4.29 0.00 2.93 2.97 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 0.00 134 A 9.62 4.25 1.49 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 0.00 0.00 135 E 8.03 4.58 0.00 2.21 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 2.32 2.55 0.00 136 D 8.14 4.52 0.00 2.85 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 0.00 137 L 7.85 4.10 0.00 1.68 1.78 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 138 N 7.83 4.29 0.00 2.84 2.88 0.00 0.00 7.20 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 0.00 139 A 7.28 3.76 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 0.00 140 V 7.11 3.90 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 0.70 0.00 0.00 0.94 0.00 0.00 141 P 0.00 4.42 0.00 2.18 1.99 0.00 3.62 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 2.12 2.09 0.00 142 R 8.69 3.85 0.00 1.76 1.98 0.00 3.49 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 143 Q 8.06 4.44 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 144 T 7.73 4.98 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 1.22 0.00 0.00 145 I 9.00 4.66 1.90 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 1.27 1.03 0.92 0.00 0.00 146 I 8.50 4.96 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 1.16 1.78 0.76 0.00 0.00 *148 Y 7.79 4.75 0.00 3.03 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 *150 R 8.34 4.57 0.00 1.88 1.97 0.00 3.16 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 1.71 1.74 0.00 151 V 8.60 3.97 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 0.65 0.00 0.00 1.01 0.00 0.00 152 R 9.07 4.12 0.00 1.82 2.06 0.00 3.45 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 153 S 8.98 4.10 0.00 4.01 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 0.00 154 S 7.96 3.58 0.00 3.94 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 0.00 155 A 7.86 4.53 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 0.00 156 T 7.65 4.17 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 * Residues marked with a * may have inaccurate shift predictions.