NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2553 8.2644 123.5800 51.6484 19.6122 176.3816 3 D 4.3204 8.6220 122.9870 54.3877 42.2457 175.8925 4 T 3.9372 9.3686 121.0998 66.9916 69.3698 176.8011 5 V 3.3069 8.7497 114.5624 64.1142 31.3652 178.5464 6 L 4.0392 7.5056 117.5349 57.8477 41.4399 179.3754 7 F 4.1487 8.1262 119.9677 61.0533 39.4412 176.3942 8 E 3.6258 7.9496 118.4977 59.4880 29.4061 178.9943 9 F 4.5822 8.3053 117.9974 60.3470 38.9526 177.4432 10 L 3.8733 8.0927 120.0678 58.4443 41.8840 178.2040 11 H 3.6260 8.2610 118.4354 59.6769 29.5742 176.9703 12 T 4.0180 7.8646 117.1091 67.0028 68.3908 176.4711 13 E 4.0634 8.2709 120.0918 59.2985 29.5010 179.3982 14 M 4.0129 7.9194 119.1878 58.3954 32.0066 179.1612 15 V 3.6158 7.8650 112.5241 64.0505 31.4220 178.3439 16 A 4.1166 7.7195 119.8263 55.3718 18.3306 178.9210 17 E 4.1983 8.0359 115.9154 57.7914 29.9377 177.0217 18 L 4.7115 7.6858 116.1522 53.6501 43.1588 178.1986 19 W 4.1425 8.3277 117.8485 58.6394 28.0337 176.7518 20 A 3.9931 6.5198 118.8836 51.4998 19.0829 175.7059 21 H 4.2085 7.3300 117.3372 55.5701 30.2858 175.1184 22 D 4.5296 7.8829 126.2640 52.8137 41.6269 172.6190 23 P 4.3165 0.0000 0.0000 64.3455 32.3887 177.0501 24 D 4.9791 7.6897 118.6526 51.5355 40.7298 173.4602 25 P 3.9960 0.0000 0.0000 63.6862 31.5115 180.3857 26 G 3.7560 8.8182 107.1538 42.3768 0.0000 169.5202 27 P 4.1426 0.0000 0.0000 64.5460 30.9235 176.5218 28 G 3.8189 9.3257 110.4834 45.7592 0.0000 173.0945 29 G 3.7289 8.2451 106.0245 46.2277 0.0000 174.0296 30 Q 4.2644 7.5302 120.2393 54.2091 29.2422 175.4162 31 K 4.2699 8.4230 125.7536 56.1208 32.9404 176.5480 32 M 4.1339 9.3526 124.3188 54.8203 31.8580 175.3598 33 S 4.1768 8.7280 122.4169 60.0818 63.2359 174.4343 34 L 3.7866 8.9718 123.1478 55.7079 39.5816 176.0931 35 S 4.1139 8.4074 115.9692 61.8089 62.0679 176.7108 36 V 3.6101 7.7790 119.9116 65.9848 31.3681 177.6585 37 L 4.1545 8.0070 118.2104 58.0722 41.4989 179.0373 38 E 4.3237 8.5529 119.2298 59.1320 29.5497 179.0597 39 G 3.6500 8.2456 105.9220 48.2194 0.0000 175.6587 40 M 4.3632 8.4556 121.7082 57.8891 31.9004 179.0873 41 G 2.6239 8.3132 106.0363 47.2342 0.0000 175.2924 42 F 4.3619 8.3701 123.3421 61.2548 39.2692 177.4114 43 R 3.7184 8.0165 117.3167 59.1991 29.8767 179.2512 44 V 3.6740 7.9912 118.1460 66.0395 31.5726 178.3550 45 G 3.5043 8.6128 106.2376 47.6801 0.0000 175.3789 46 Q 4.4698 8.4641 123.2804 58.4279 28.9311 178.3303 47 A 4.3542 7.7500 121.7769 54.9544 18.4676 179.5825 48 L 4.0835 8.0179 117.7156 57.8110 41.3889 179.9690 49 G 3.7794 8.0116 105.0975 47.6306 0.0000 175.1826 50 E 4.2497 7.4653 120.1299 58.6384 29.8591 178.4071 51 R 4.2839 7.9002 115.3709 55.8538 30.8406 176.3790 52 L 4.7549 7.0426 118.9518 51.9436 43.5643 174.6312 53 P 4.2294 0.0000 0.0000 63.0522 31.6927 175.9693 *59 F 4.5298 8.3047 120.0700 57.4250 39.3554 174.2398 60 R 4.1415 8.1705 121.6730 56.6255 30.8756 177.3193 61 E 4.6149 8.6491 116.2721 54.5655 32.4832 176.9622 62 E 3.8088 8.9127 120.2991 59.7833 29.2668 178.4331 63 L 3.9346 8.1223 119.4933 58.7446 42.1094 178.4337 64 D 4.3631 8.0727 118.3349 57.5897 40.2729 179.1994 65 V 2.9032 7.6281 118.5097 65.7240 31.1294 177.9756 66 L 3.9980 7.4589 117.7870 56.9799 41.5870 179.2462 67 K 3.9941 8.1714 119.1603 59.0350 31.8888 179.0656 68 F 4.2017 8.0250 120.7913 61.3597 39.3286 177.2021 69 L 3.8148 7.5143 117.3864 57.9283 41.3023 179.2675 70 C 4.0295 7.8009 116.1140 61.5052 27.1925 175.6214 71 K 4.1821 7.8856 119.3080 58.1885 32.6376 178.1980 72 D 4.1815 8.0018 119.0288 56.6077 41.1045 178.5000 73 L 3.7042 7.0245 120.0250 58.0408 42.1128 178.7174 74 W 4.0741 8.2524 128.1295 60.5772 30.6652 178.1153 75 V 3.8665 7.5280 118.4285 65.7837 30.6868 177.9050 76 A 3.9017 7.8936 120.2939 54.5103 18.3205 179.1809 77 V 3.3072 7.5291 115.8600 64.2371 32.0695 176.9074 78 F 4.7490 7.6476 115.2365 56.3247 39.2904 175.3797 79 Q 4.1519 8.2868 116.6997 54.6714 26.3175 173.6947 80 K 4.5654 7.3584 112.2219 55.9488 35.6364 175.4111 81 Q 4.5081 8.6510 121.1840 55.4972 29.4953 175.6926 82 M 3.8868 8.4834 120.8558 55.8986 32.8494 176.2145 83 D 4.7479 8.8433 125.8615 57.2319 42.2688 176.3942 84 S 4.7278 8.1353 111.1487 56.6421 66.9240 173.0627 85 L 5.0591 8.5355 123.5918 53.6397 44.1338 175.4209 86 R 4.7947 8.4384 124.6707 54.8450 34.3513 174.6869 87 T 4.3909 7.7827 110.8082 61.2666 69.3345 171.9417 88 N 4.4920 7.9714 127.0023 51.3785 38.8258 175.9665 89 H 4.5723 8.2673 122.5922 56.0937 26.7860 175.5644 90 Q 4.4286 7.4119 112.0388 55.7721 31.3692 177.0295 91 G 3.9799 8.0048 108.2829 45.4250 0.0000 173.4124 92 T 5.0100 7.5118 116.3185 62.5449 69.9452 173.5777 93 Y 4.7495 9.6544 125.6595 56.2267 41.5305 175.6024 94 V 4.7424 9.0018 121.6158 61.3531 34.2328 174.2081 95 L 4.8870 9.1081 129.8764 53.4605 43.1165 175.6555 96 Q 5.0161 8.7699 125.6463 54.1159 32.3334 173.6971 97 D 5.5374 8.6741 124.8814 51.6894 43.4359 176.0137 98 N 4.7105 9.3281 123.5673 54.8608 39.5104 175.7169 99 S 4.6252 8.6704 113.3976 56.6128 63.2152 174.9556 100 F 4.3781 8.4612 122.9130 59.0886 39.7115 173.4199 101 P 3.9863 0.0000 0.0000 65.7705 30.9729 178.2641 102 L 3.9002 6.2931 114.4598 56.3005 41.7210 178.0646 103 L 4.5009 7.8343 118.1921 54.3958 42.6226 178.1578 104 L 4.0041 7.2324 118.9411 57.6786 41.7435 177.5349 105 P 4.3505 0.0000 0.0000 65.6946 31.2689 178.2326 106 M 3.9802 7.5363 117.2787 55.7028 32.1220 176.1507 107 A 4.4686 6.8001 118.6079 52.1497 22.5689 175.9974 108 S 5.0035 9.3749 111.9904 54.8136 63.0522 174.4519 109 G 4.2921 6.6359 118.3723 46.7292 0.0000 173.3141 110 L 4.5646 7.7773 123.9428 54.1019 43.1027 177.7651 111 Q 3.6034 7.8712 119.5668 58.8139 29.1360 177.1874 112 Y 4.8887 7.6144 113.3652 57.0828 39.3407 177.0914 113 L 3.9976 8.0778 122.8325 58.1914 41.7168 178.2924 114 E 4.0333 8.2416 117.3103 59.5883 29.6983 178.1518 115 E 4.2145 8.3349 116.6910 58.1479 30.0526 178.5135 116 A 4.1159 8.0672 121.3559 54.8725 18.4722 177.5390 117 P 4.2381 0.0000 0.0000 65.8297 31.5995 178.7903 118 K 3.7420 7.8824 116.0851 59.4149 31.9478 177.5075 119 F 4.8591 8.4307 115.6324 57.5254 38.9391 176.6834 120 L 4.9939 8.4218 122.9320 55.1499 43.4798 178.2678 121 A 4.1355 8.3290 120.7412 55.4521 18.2019 179.1237 122 F 4.3544 8.5618 118.1675 62.1121 39.5464 177.3289 123 T 4.0800 8.4571 114.7708 66.7773 68.2493 176.2652 124 C 4.3820 8.7149 119.0233 62.9648 28.2100 176.4088 125 G 4.1552 8.1440 107.0692 47.3046 0.0000 175.3826 126 L 3.9482 7.7403 122.5205 58.1139 42.1195 179.2244 127 L 4.0314 7.9449 118.8657 57.7660 41.5353 179.4926 128 R 4.1356 8.4777 119.1207 59.4592 30.0861 178.8665 129 G 3.0319 8.7847 105.8410 47.4288 0.0000 175.6264 130 A 4.1721 7.8838 122.8598 54.8839 18.4603 179.7887 131 L 3.9301 8.1626 117.6778 58.1966 41.6724 178.4688 132 Y 4.0766 8.3396 119.3765 61.2650 38.4517 178.3145 133 T 3.9569 8.0002 115.8439 66.4490 68.7730 174.5288 134 L 4.5545 7.2989 119.1358 54.3954 41.9706 176.3433 135 G 3.7161 8.2466 105.1967 46.7098 0.0000 175.5482 136 I 4.4221 7.5584 119.9296 59.0210 39.5603 175.4402 137 E 4.3910 8.7151 125.7226 56.3210 30.1374 176.6191 138 S 4.7603 8.0592 115.8353 58.0033 66.0215 173.4607 139 V 4.3233 8.4469 119.0202 61.6544 34.2334 174.7202 140 V 5.0260 8.6413 128.7999 61.6798 32.7807 174.8058 141 T 4.8760 9.2124 118.3638 59.8916 71.8894 172.9711 142 A 4.9834 8.4685 123.4619 50.2801 22.1536 175.7059 143 S 4.4516 8.4230 114.9535 56.6490 66.1877 172.7994 144 V 4.5029 8.4122 126.2707 61.3609 32.9433 174.7114 145 A 4.2370 8.8469 130.6055 53.9893 19.6300 177.3777 146 A 4.5454 7.5774 118.6990 50.8228 21.4608 175.5727 147 L 4.1541 8.2521 124.0263 55.2209 42.0477 176.1494 148 P 4.7226 0.0000 0.0000 62.6116 31.6046 175.2099 149 V 4.3597 7.4442 120.2565 63.0324 30.8342 174.7166 150 C 5.1289 8.7779 122.6055 55.7471 33.1954 172.9375 151 K 4.8968 8.4639 119.6842 55.1576 35.2007 174.6763 152 F 5.0235 9.6207 123.9474 56.1311 40.9848 174.3609 153 Q 4.9725 9.4956 126.4480 54.5581 30.9718 174.1855 154 V 4.7299 9.0558 127.3410 61.4053 33.9046 174.4517 155 V 4.4998 8.8276 129.9578 61.5000 33.0507 174.9272 156 I 4.3580 8.7097 131.3958 58.9775 37.1746 174.4537 157 P 4.3157 0.0000 0.0000 63.2504 31.6604 177.1581 158 K 4.1963 8.3337 123.6889 54.6922 32.8487 178.5804 *159 S 4.3436 8.3790 113.1383 59.3890 62.9091 174.3517 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 1.29 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 3 D 8.62 4.32 0.00 2.75 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 4 T 9.37 3.94 4.19 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 1.19 0.00 0.00 5 V 8.75 3.31 1.42 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 0.55 0.00 0.00 0.96 0.00 0.00 6 L 7.51 4.04 0.00 1.92 1.77 0.95 0.96 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 7 F 8.13 4.15 0.00 3.08 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 8 E 7.95 3.63 0.00 2.12 1.73 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 2.12 2.23 0.00 9 F 8.31 4.58 0.00 3.12 2.88 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 10 L 8.09 3.87 0.00 1.83 1.81 0.90 0.82 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 11 H 8.26 3.63 0.00 2.15 3.02 0.00 5.65 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 12 T 7.86 4.02 4.54 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 1.29 0.00 0.00 13 E 8.27 4.06 0.00 2.10 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 2.46 2.46 0.00 14 M 7.92 4.01 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 15 V 7.86 3.62 1.74 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 0.47 0.00 0.00 0.26 0.00 0.00 16 A 7.72 4.12 1.42 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 0.00 0.00 17 E 8.04 4.20 0.00 2.09 1.96 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 2.28 2.35 0.00 18 L 7.69 4.71 0.00 1.85 1.55 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.33 4.14 0.00 3.48 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 20 A 6.52 3.99 -0.14 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 21 H 7.33 4.21 0.00 2.97 3.24 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 22 D 7.88 4.53 0.00 2.60 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 23 P 0.00 4.32 0.00 2.22 2.18 0.00 3.80 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 2.00 2.06 0.00 24 D 7.69 4.98 0.00 2.68 2.62 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 25 P 0.00 4.00 0.00 2.07 1.96 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 26 G 8.82 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 27 P 0.00 4.14 0.00 2.22 2.26 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 28 G 9.33 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 29 G 8.25 3.73 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 0.00 0.00 0.00 30 Q 7.53 4.26 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 31 K 8.42 4.27 0.00 1.77 1.76 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.39 7.81 32 M 9.35 4.13 0.00 2.00 1.96 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 2.59 2.66 0.00 33 S 8.73 4.18 0.00 3.95 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 34 L 8.97 3.79 0.00 1.96 1.85 1.00 1.09 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 35 S 8.41 4.11 0.00 3.88 4.02 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 36 V 7.78 3.61 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 1.02 0.00 0.00 1.07 0.00 0.00 37 L 8.01 4.15 0.00 2.02 1.92 1.01 0.91 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 38 E 8.55 4.32 0.00 2.20 2.15 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 2.54 2.53 0.00 39 G 8.25 3.65 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 0.00 0.00 0.00 40 M 8.46 4.36 0.00 2.41 2.62 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.67 0.00 41 G 8.31 2.62 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 42 F 8.37 4.36 0.00 3.16 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 43 R 8.02 3.72 0.00 1.98 1.98 0.00 3.27 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 1.74 1.97 0.00 44 V 7.99 3.67 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 1.05 0.00 0.00 1.25 0.00 0.00 45 G 8.61 3.50 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 0.00 46 Q 8.46 4.47 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.30 1.99 0.00 47 A 7.75 4.35 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 48 L 8.02 4.08 0.00 1.82 1.69 0.77 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.01 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 50 E 7.47 4.25 0.00 2.11 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 2.58 0.00 51 R 7.90 4.28 0.00 1.81 1.97 0.00 3.14 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 52 L 7.04 4.75 0.00 2.04 1.85 0.82 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.23 0.00 2.27 2.13 0.00 3.93 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.07 0.00 *59 F 8.30 4.53 0.00 3.01 3.02 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 60 R 8.17 4.14 0.00 2.03 1.88 0.00 3.36 0.00 0.00 3.23 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 61 E 8.65 4.61 0.00 2.07 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 2.25 0.00 62 E 8.91 3.81 0.00 2.06 2.06 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 2.36 2.38 0.00 63 L 8.12 3.93 0.00 1.89 1.74 1.08 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.07 4.36 0.00 2.94 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 65 V 7.63 2.90 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 0.83 0.00 0.00 0.64 0.00 0.00 66 L 7.46 4.00 0.00 1.42 1.31 0.40 -0.28 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 67 K 8.17 3.99 0.00 1.97 1.89 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.62 7.81 68 F 8.02 4.20 0.00 3.02 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 3.81 0.00 1.62 1.60 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 C 7.80 4.03 0.00 3.02 2.85 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 71 K 7.89 4.18 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.62 7.81 72 D 8.00 4.18 0.00 1.87 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 73 L 7.02 3.70 0.00 1.38 1.85 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 W 8.25 4.07 0.00 3.56 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 75 V 7.53 3.87 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 0.95 0.00 0.00 1.03 0.00 0.00 76 A 7.89 3.90 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 77 V 7.53 3.31 1.15 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 -0.95 0.00 0.00 0.51 0.00 0.00 78 F 7.65 4.75 0.00 2.75 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 79 Q 8.29 4.15 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 80 K 7.36 4.57 0.00 2.08 1.82 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.31 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.74 1.71 7.81 81 Q 8.65 4.51 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 82 M 8.48 3.89 0.00 1.71 1.46 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.23 0.00 83 D 8.84 4.75 0.00 2.93 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 84 S 8.14 4.73 0.00 3.83 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 85 L 8.54 5.06 0.00 1.58 1.57 1.02 0.88 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 86 R 8.44 4.79 0.00 1.75 1.73 0.00 3.20 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 87 T 7.78 4.39 3.39 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 0.87 0.00 0.00 88 N 7.97 4.49 0.00 2.78 2.85 0.00 0.00 6.74 7.79 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 89 H 8.27 4.57 0.00 3.14 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.41 4.43 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 91 G 8.00 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 92 T 7.51 5.01 4.38 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 1.21 0.00 0.00 93 Y 9.65 4.75 0.00 2.81 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 94 V 9.00 4.74 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 0.97 0.00 0.00 0.93 0.00 0.00 95 L 9.11 4.89 0.00 1.69 1.32 0.96 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.77 5.02 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 97 D 8.67 5.54 0.00 3.05 2.80 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 98 N 9.33 4.71 0.00 2.80 2.88 0.00 0.00 6.94 7.57 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 99 S 8.67 4.63 0.00 3.92 3.87 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 0.00 100 F 8.46 4.38 0.00 3.18 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 0.00 101 P 0.00 3.99 0.00 1.66 1.95 0.00 2.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.08 0.00 102 L 6.29 3.90 0.00 1.42 1.68 1.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.83 4.50 0.00 1.87 1.72 1.08 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.23 4.00 0.00 1.70 1.69 0.88 0.92 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 0.00 105 P 0.00 4.35 0.00 1.90 2.05 0.00 3.50 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 1.91 2.09 0.00 106 M 7.54 3.98 0.00 1.85 2.17 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.10 0.00 107 A 6.80 4.47 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 0.00 108 S 9.37 5.00 0.00 3.80 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 0.00 109 G 6.64 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 0.00 0.00 0.00 0.00 110 L 7.78 4.56 0.00 1.68 1.64 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 7.87 3.60 0.00 1.73 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.45 0.00 0.00 0.00 0.00 0.00 1.16 1.61 0.00 112 Y 7.61 4.89 0.00 3.07 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 0.00 113 L 8.08 4.00 0.00 1.63 1.76 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.24 4.03 0.00 1.93 2.03 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 2.29 2.46 0.00 115 E 8.33 4.21 0.00 2.22 2.13 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 2.35 2.34 0.00 116 A 8.07 4.12 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 0.00 117 P 0.00 4.24 0.00 2.19 2.16 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 118 K 7.88 3.74 0.00 1.31 1.47 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.13 1.24 7.81 119 F 8.43 4.86 0.00 3.28 3.27 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 0.00 120 L 8.42 4.99 0.00 1.82 1.80 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.33 4.14 1.47 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 0.00 0.00 122 F 8.56 4.35 0.00 3.32 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 0.00 123 T 8.46 4.08 4.78 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 1.33 0.00 0.00 124 C 8.71 4.38 0.00 3.28 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 0.00 125 G 8.14 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 0.00 0.00 0.00 126 L 7.74 3.95 0.00 1.84 1.67 0.63 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.94 4.03 0.00 1.93 1.71 0.72 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.48 4.14 0.00 1.99 2.28 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 129 G 8.78 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 0.00 0.00 0.00 130 A 7.88 4.17 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 0.00 131 L 8.16 3.93 0.00 1.97 1.89 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.34 4.08 0.00 3.40 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 0.00 133 T 8.00 3.96 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 1.22 0.00 0.00 134 L 7.30 4.55 0.00 1.83 1.65 0.73 1.00 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 0.00 135 G 8.25 3.72 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 0.00 0.00 0.00 136 I 7.56 4.42 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 0.92 0.00 0.00 137 E 8.72 4.39 0.00 2.02 1.96 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 2.55 2.39 0.00 138 S 8.06 4.76 0.00 4.04 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 0.00 139 V 8.45 4.32 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 1.05 0.00 0.00 0.95 0.00 0.00 140 V 8.64 5.03 2.28 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 1.03 0.00 0.00 1.00 0.00 0.00 141 T 9.21 4.88 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 1.24 0.00 0.00 142 A 8.47 4.98 1.07 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 0.00 0.00 143 S 8.42 4.45 0.00 3.80 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 0.00 144 V 8.41 4.50 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 0.86 0.00 0.00 145 A 8.85 4.24 1.26 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 0.00 0.00 146 A 7.58 4.55 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 0.00 147 L 8.25 4.15 0.00 1.85 1.76 0.97 0.82 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 0.00 148 P 0.00 4.72 0.00 2.27 2.28 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.95 0.00 149 V 7.44 4.36 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 1.03 0.00 0.00 150 C 8.78 5.13 0.00 2.78 2.85 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 0.00 151 K 8.46 4.90 0.00 1.74 1.85 0.00 1.24 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.20 1.25 7.81 152 F 9.62 5.02 0.00 2.93 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 0.00 153 Q 9.50 4.97 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 154 V 9.06 4.73 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 0.90 0.00 0.00 0.96 0.00 0.00 155 V 8.83 4.50 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 0.94 0.00 0.00 0.96 0.00 0.00 156 I 8.71 4.36 1.96 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 1.68 1.25 0.99 0.00 0.00 157 P 0.00 4.32 0.00 2.20 2.09 0.00 4.01 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 2.02 2.00 0.00 158 K 8.33 4.20 0.00 1.80 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.00 7.81 *159 S 8.38 4.34 0.00 3.59 3.71 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 * Residues marked with a * may have inaccurate shift predictions.