NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3740 8.2493 123.5818 52.6017 20.0168 176.0301 2 T 4.5757 8.1693 106.2217 60.6691 70.7734 171.8801 3 K 5.2675 8.3064 123.2036 55.2012 37.3193 176.0585 4 A 5.2708 8.9049 123.4765 51.2886 23.2892 175.3000 5 V 5.1277 8.9876 118.0456 60.9733 35.8623 173.7537 6 C 4.8869 9.0403 121.2846 58.5050 34.9947 172.7615 7 V 4.7796 8.5010 119.8093 59.7377 33.5402 174.8812 8 L 4.8821 9.0228 127.4163 54.1659 42.7204 176.3049 9 K 4.8589 8.9304 123.3583 54.7849 35.9739 176.3643 10 G 4.4705 7.7781 108.2973 43.9324 0.0000 172.3230 11 D 4.7675 8.8680 120.3274 54.1933 42.0970 177.2883 12 G 4.2217 7.6770 110.0370 44.7933 0.0000 172.7222 13 P 4.6385 0.0000 0.0000 62.4676 30.5670 175.1219 14 V 4.3402 7.4974 120.3271 62.6073 32.6080 174.7624 15 Q 5.0308 8.8805 126.1893 54.5860 33.4382 174.3779 16 G 4.4712 8.7055 107.1421 45.7303 0.0000 172.2139 17 T 5.2059 8.5728 116.1771 61.8294 71.9598 173.1501 18 I 4.8068 8.9698 128.2374 59.8035 39.8055 174.7955 19 H 5.3587 9.3031 123.6876 54.0857 32.6377 172.9745 20 F 5.3563 8.8131 118.3953 56.0763 43.5783 173.4200 21 E 5.1889 9.2540 123.1575 54.5231 33.3405 173.7929 22 A 4.6558 9.2038 129.8184 51.5716 19.5756 177.2496 23 K 4.3709 9.1489 123.1758 55.2650 34.4369 177.2824 24 G 3.9012 8.2283 117.0952 46.9429 0.0000 172.1295 25 D 4.7874 8.9236 123.7730 53.6047 41.1248 174.9515 26 T 4.8861 7.7529 107.8091 59.7350 72.4771 172.8828 27 V 4.8174 8.4540 122.3775 61.0772 34.0058 174.7284 28 V 4.2834 8.7828 129.2125 62.7107 32.8503 174.7074 29 V 4.9178 9.3029 128.4343 61.4860 34.2104 174.3580 30 T 5.4815 8.4813 123.0008 60.6343 73.4897 173.8457 31 G 4.6943 7.4701 112.4559 45.4304 0.0000 170.8213 32 S 5.2502 7.7184 114.1696 56.6205 66.9938 173.8233 33 I 5.0377 8.9367 123.4099 59.9799 40.6260 174.8913 34 T 4.7999 9.1350 117.7620 60.6767 71.7874 175.6360 35 G 3.8772 8.9252 109.2947 45.4275 0.0000 173.7012 36 L 4.2980 7.5945 120.1455 53.6573 42.6772 176.6269 37 T 4.3576 8.2162 111.1902 60.9171 69.6599 173.8230 38 E 3.9893 8.5507 122.8566 57.8851 30.7457 176.3204 39 G 3.9237 9.2072 111.0553 44.2286 0.0000 171.2831 40 D 5.3491 8.3098 121.0489 53.1507 42.9132 176.0809 41 H 5.0920 9.2422 119.8032 53.6680 33.0567 173.4358 42 G 4.0162 8.9249 110.6419 46.5664 0.0000 172.5590 43 F 5.3080 9.4028 124.5087 56.7086 41.8412 173.0685 44 H 5.2103 8.6724 122.1930 53.7121 33.3490 172.8147 45 V 4.4051 8.4474 120.8385 62.5504 32.6831 175.1471 46 H 5.1769 9.2830 125.2236 54.3433 31.0311 175.8566 47 Q 3.6935 8.5574 121.5970 58.4069 29.0072 176.1928 48 F 5.0349 8.4022 117.7110 55.0994 41.8435 176.5082 49 G 4.0452 8.5266 109.7140 44.7564 0.0000 173.6232 50 D 4.6567 8.1659 120.9032 53.0447 40.8096 175.3681 51 N 5.6147 8.6387 125.8193 52.3859 39.3787 176.5711 52 T 4.0780 8.3851 111.0711 63.6124 69.4769 174.3875 53 Q 4.6244 8.1984 124.5815 55.6058 30.5740 175.6803 54 G 3.8717 7.7239 109.5685 47.3814 0.0000 177.0764 55 C 4.5969 8.5754 118.9799 58.2462 39.3541 175.7127 56 T 3.8836 7.7471 117.9997 66.3472 67.7867 176.3072 57 S 4.4314 8.0187 113.5702 60.1392 63.5686 175.6406 58 A 4.4390 7.2793 126.3369 54.5814 18.2428 177.9909 59 G 3.5875 8.0523 102.9809 43.8934 0.0000 170.7415 60 P 4.6146 0.0000 0.0000 61.7644 33.6809 175.1270 61 H 4.3985 8.3854 116.4597 56.1073 29.4042 175.3956 62 F 4.2515 9.0556 125.2831 58.7938 40.1502 174.8827 63 N 4.8360 8.1993 124.7527 51.6884 39.3193 172.6188 64 P 4.1083 0.0000 0.0000 65.2138 32.0801 178.2039 65 L 4.2367 7.7339 116.2232 53.7847 41.9004 176.2368 66 S 3.6713 7.7551 112.9149 59.1294 62.4776 172.2089 67 K 4.3983 7.9768 120.0570 56.8014 34.7518 176.3801 68 K 4.6452 8.0853 118.1932 55.4550 35.0127 175.6477 69 H 4.2159 8.8827 123.5700 56.5827 30.8004 174.7203 70 G 4.4943 7.5204 111.6877 44.8084 0.0000 171.4004 71 G 4.1894 8.8118 109.4244 42.8351 0.0000 173.0762 72 P 4.4515 0.0000 0.0000 65.0059 31.0665 177.7225 73 K 4.2108 7.9720 115.6832 56.7779 32.5108 175.9475 74 D 5.0347 7.4904 117.6540 51.2789 41.7810 176.2322 75 E 4.0024 8.5645 119.2147 58.5992 30.1492 176.7573 76 E 4.2512 7.5528 117.9917 55.1245 28.4006 174.9618 77 R 5.3414 7.5263 119.4369 55.6115 32.3751 174.8804 78 H 4.6595 9.1800 116.6953 55.3004 29.4221 177.1970 79 V 3.4988 8.2004 121.5822 65.7146 31.5590 177.0610 80 G 3.9854 7.9934 106.7494 45.4461 0.0000 173.1130 81 D 4.8800 8.0335 121.9780 53.4389 39.3633 176.4601 82 L 4.7081 8.4521 122.1134 54.1994 43.4544 177.6587 83 G 4.1432 8.1414 110.4902 45.3513 0.0000 175.9403 84 N 5.7207 8.7837 118.4417 50.9391 42.3905 172.5193 85 V 4.4005 8.8659 120.1841 60.2229 34.9570 174.4725 86 T 4.9978 8.3543 119.6615 61.7920 70.8643 173.2545 87 A 4.5169 9.3895 130.3067 51.5042 20.4501 177.2610 88 D 4.6469 8.4916 122.0608 52.7157 41.6507 177.1417 89 K 4.1321 8.5658 116.5344 59.2044 32.3184 177.3499 90 N 4.5153 8.4017 114.8816 53.2583 39.0120 176.0671 91 G 4.3657 8.2369 107.2276 44.3598 0.0000 172.6991 92 V 4.4842 7.7267 119.8624 61.5309 33.4715 174.4720 93 A 5.1868 8.8974 129.7680 49.2322 21.0940 175.0680 94 I 4.3191 8.2531 123.2325 61.6956 38.2824 175.9824 95 V 4.0370 8.8777 128.1867 61.7063 33.2355 174.6345 96 D 4.8069 8.3713 127.3306 53.8589 43.1604 174.1945 97 I 4.6942 8.8181 127.0068 59.6812 42.0806 174.5714 98 V 4.5959 8.5713 126.0798 61.3608 33.5252 173.7712 99 D 4.9682 8.9801 129.4431 51.7622 42.4961 175.2781 100 P 4.2375 0.0000 0.0000 65.8108 31.6127 177.4218 101 L 4.0836 8.0518 119.7913 57.1760 42.2940 176.9619 102 I 4.1359 8.0978 111.0794 60.7300 38.5886 174.2163 103 S 4.6439 8.1723 113.9919 57.4956 65.2746 173.7923 104 L 4.7254 8.4180 120.2059 54.1970 42.7546 176.6668 105 S 4.5150 8.1144 113.0427 57.2835 65.9922 174.8275 106 G 3.9342 8.6341 111.7532 44.1969 0.0000 172.9250 107 E 4.0093 8.5055 117.7525 56.2379 27.9348 175.3158 *109 S 4.2784 7.9746 119.4829 58.9365 63.7155 173.4059 110 I 3.8433 8.0905 119.3103 60.4798 37.9960 175.2997 111 I 3.5764 7.1735 123.0916 63.9547 36.9905 176.1637 112 G 3.9052 9.3347 115.0259 44.8879 0.0000 172.3557 113 R 5.0926 7.5691 119.2753 54.5866 33.8335 174.2684 114 T 5.0158 7.8970 115.6286 62.4882 71.6117 173.2735 115 M 4.6067 8.8210 126.6829 54.3944 33.9661 174.6751 116 V 4.7818 8.6200 126.3924 61.1914 34.4081 174.4337 117 V 4.9091 8.7774 121.1790 60.3360 33.8166 175.0041 118 H 5.3561 8.4475 121.0258 54.2156 30.8329 174.7447 119 E 4.1634 9.3856 121.8020 58.8848 30.1347 176.6048 120 K 4.7390 8.3021 117.5551 53.5894 35.9646 173.8000 121 P 4.8520 0.0000 0.0000 62.2164 32.1110 176.3732 122 D 4.6610 9.1172 124.3738 54.2804 41.3488 175.5396 123 D 4.7772 9.1600 125.0051 52.4238 39.6444 176.4653 124 L 3.3513 9.6227 117.6558 56.1351 39.7550 175.9025 125 G 4.0788 9.2478 105.6484 46.4794 0.0000 174.2858 126 R 4.6949 7.9708 115.2397 55.2033 29.1976 176.0898 127 G 3.8866 7.8150 105.3262 45.4480 0.0000 173.7452 128 G 3.8531 9.9410 107.4507 45.2671 0.0000 172.2164 129 N 4.8424 7.6354 114.8928 50.3672 40.3945 174.7821 130 E 3.7285 8.6306 116.9055 59.1437 29.2874 179.2922 131 E 4.1206 8.2737 118.6477 58.9347 29.6918 178.6190 132 S 4.2630 8.4812 115.7747 62.2468 62.9654 177.1744 133 T 4.0227 7.5493 111.0990 64.1291 68.1552 176.1995 134 K 4.1542 7.3579 120.3112 58.2908 32.9800 177.5479 135 T 4.1321 8.3300 106.1477 60.1194 70.0899 175.0751 136 G 4.3067 8.4023 110.4934 45.7651 0.0000 173.7676 137 N 4.3114 7.9047 114.3555 53.9369 36.7642 175.8380 138 A 4.2462 7.5972 119.0281 52.6509 18.8943 180.1320 139 G 4.2214 7.5572 105.1443 44.4294 0.0000 173.4352 140 S 4.4279 8.3552 113.3008 58.5048 64.8701 173.6220 141 R 4.7109 8.3230 119.5002 55.0268 29.8359 176.6857 142 L 4.2756 9.0244 126.0300 57.5582 42.7689 177.3727 143 A 4.9530 7.7824 117.9539 51.2886 22.8756 173.9808 144 C 5.7072 8.2821 113.8425 55.6544 47.1467 172.7068 145 G 4.4845 8.0482 102.8638 46.0603 0.0000 172.9080 146 V 4.3436 8.4181 122.2137 62.4991 32.7942 175.4430 147 I 4.2732 8.8276 129.4362 60.6127 38.0981 175.2880 148 G 4.4148 8.8457 114.7806 43.9260 0.0000 172.3365 149 I 4.3042 8.2838 121.4351 61.2896 37.7551 175.2441 150 A 4.7261 8.2269 126.7021 49.7538 22.8655 176.3007 151 K 4.1311 8.7004 116.8925 57.2275 32.4539 175.2355 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 1 A 8.25 4.37 1.34 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 0.00 0.00 2 T 8.17 4.58 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 1.23 0.00 0.00 3 K 8.31 5.27 0.00 1.67 1.73 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.40 7.81 4 A 8.90 5.27 1.18 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 5 V 8.99 5.13 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 0.79 0.00 0.00 0.83 0.00 0.00 6 C 9.04 4.89 0.00 3.29 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 7 V 8.50 4.78 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 0.83 0.00 0.00 0.94 0.00 0.00 8 L 9.02 4.88 0.00 1.69 1.64 1.11 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.93 4.86 0.00 1.70 1.66 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 G 7.78 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 0.00 0.00 0.00 0.00 11 D 8.87 4.77 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.68 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 0.00 0.00 0.00 0.00 13 P 0.00 4.64 0.00 2.18 2.14 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 14 V 7.50 4.34 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 1.00 0.00 0.00 0.96 0.00 0.00 15 Q 8.88 5.03 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.37 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 16 G 8.71 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 0.00 0.00 0.00 0.00 17 T 8.57 5.21 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 1.17 0.00 0.00 18 I 8.97 4.81 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.60 0.39 0.00 0.00 19 H 9.30 5.36 0.00 3.01 3.12 0.00 5.76 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 20 F 8.81 5.36 0.00 2.94 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 21 E 9.25 5.19 0.00 2.06 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 2.23 2.43 0.00 22 A 9.20 4.66 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 23 K 9.15 4.37 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.36 1.50 7.81 24 G 8.23 3.90 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 0.00 0.00 0.00 25 D 8.92 4.79 0.00 2.62 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 26 T 7.75 4.89 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 1.23 0.00 0.00 27 V 8.45 4.82 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 1.27 0.00 0.00 1.06 0.00 0.00 28 V 8.78 4.28 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 0.85 0.00 0.00 0.96 0.00 0.00 29 V 9.30 4.92 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 0.79 0.00 0.00 1.15 0.00 0.00 30 T 8.48 5.48 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 1.15 0.00 0.00 31 G 7.47 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.72 5.25 0.00 3.72 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.94 5.04 1.78 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.56 0.91 0.00 0.00 34 T 9.13 4.80 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 1.19 0.00 0.00 35 G 8.93 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 0.00 0.00 0.00 36 L 7.59 4.30 0.00 1.80 1.44 0.70 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.22 4.36 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 38 E 8.55 3.99 0.00 1.95 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 2.30 2.36 0.00 39 G 9.21 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 40 D 8.31 5.35 0.00 2.49 2.56 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 0.00 0.00 0.00 0.00 41 H 9.24 5.09 0.00 3.02 3.46 0.00 5.62 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 42 G 8.92 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 0.00 0.00 0.00 43 F 9.40 5.31 0.00 2.95 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 44 H 8.67 5.21 0.00 3.15 3.05 0.00 5.85 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.45 4.41 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 0.95 0.00 0.00 0.91 0.00 0.00 46 H 9.28 5.18 0.00 3.05 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.56 3.69 0.00 1.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.64 0.00 0.00 0.00 0.00 0.00 1.80 2.23 0.00 48 F 8.40 5.03 0.00 3.19 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 49 G 8.53 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 50 D 8.17 4.66 0.00 2.64 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 51 N 8.64 5.61 0.00 2.72 2.77 0.00 0.00 7.31 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 52 T 8.39 4.08 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 1.24 0.00 0.00 53 Q 8.20 4.62 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.86 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 54 G 7.72 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 0.00 0.00 0.00 55 C 8.58 4.60 0.00 2.98 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 56 T 7.75 3.88 4.39 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 1.27 0.00 0.00 57 S 8.02 4.43 0.00 4.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.28 4.44 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 59 G 8.05 3.59 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 0.00 0.00 0.00 60 P 0.00 4.61 0.00 2.01 2.15 0.00 3.50 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 61 H 8.39 4.40 0.00 2.75 3.18 0.00 5.74 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 62 F 9.06 4.25 0.00 2.89 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 63 N 8.20 4.84 0.00 2.56 2.49 0.00 0.00 6.94 7.71 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 64 P 0.00 4.11 0.00 2.08 2.04 0.00 3.01 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.39 0.00 65 L 7.73 4.24 0.00 1.55 1.68 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.76 3.67 0.00 4.05 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 67 K 7.98 4.40 0.00 1.89 1.92 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.40 7.81 68 K 8.09 4.65 0.00 2.01 1.65 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.40 7.81 69 H 8.88 4.22 0.00 3.43 3.31 0.00 5.74 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 70 G 7.52 4.49 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 0.00 71 G 8.81 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 0.00 0.00 0.00 0.00 72 P 0.00 4.45 0.00 2.21 2.24 0.00 3.39 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 73 K 7.97 4.21 0.00 1.77 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 74 D 7.49 5.03 0.00 2.75 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 75 E 8.56 4.00 0.00 1.94 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 2.29 2.34 0.00 76 E 7.55 4.25 0.00 2.00 1.82 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 2.24 2.23 0.00 77 R 7.53 5.34 0.00 1.95 1.76 0.00 2.87 0.00 0.00 3.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 78 H 9.18 4.66 0.00 3.42 3.44 0.00 5.64 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 79 V 8.20 3.50 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 0.75 0.00 0.00 0.64 0.00 0.00 80 G 7.99 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 81 D 8.03 4.88 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.45 4.71 0.00 1.96 1.86 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.14 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 84 N 8.78 5.72 0.00 2.59 2.69 0.00 0.00 6.53 7.68 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 85 V 8.87 4.40 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 0.80 0.00 0.00 0.33 0.00 0.00 86 T 8.35 5.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 87 A 9.39 4.52 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 88 D 8.49 4.65 0.00 2.91 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 89 K 8.57 4.13 0.00 1.77 1.91 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.45 7.81 90 N 8.40 4.52 0.00 2.69 2.84 0.00 0.00 7.11 7.21 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 91 G 8.24 4.37 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 0.00 92 V 7.73 4.48 2.17 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 0.93 0.00 0.00 0.91 0.00 0.00 93 A 8.90 5.19 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 94 I 8.25 4.32 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.87 0.00 0.00 95 V 8.88 4.04 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 0.81 0.00 0.00 0.63 0.00 0.00 96 D 8.37 4.81 0.00 2.64 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.82 4.69 1.96 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 1.16 0.82 1.00 0.00 0.00 98 V 8.57 4.60 2.10 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 0.81 0.00 0.00 0.95 0.00 0.00 99 D 8.98 4.97 0.00 2.88 2.56 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 0.00 0.00 0.00 0.00 100 P 0.00 4.24 0.00 2.22 2.18 0.00 3.84 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 2.00 1.97 0.00 101 L 8.05 4.08 0.00 1.61 1.84 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.10 4.14 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 1.04 0.00 0.00 103 S 8.17 4.64 0.00 3.84 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 0.00 104 L 8.42 4.73 0.00 1.63 1.61 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.11 4.51 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.63 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 0.00 107 E 8.51 4.01 0.00 2.12 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 0.00 2.30 2.34 0.00 *109 S 7.97 4.28 0.00 4.05 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 0.00 110 I 8.09 3.84 1.63 0.00 0.00 0.58 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 0.14 0.92 0.00 0.00 111 I 7.17 3.58 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 0.85 0.00 0.00 112 G 9.33 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 0.00 0.00 0.00 113 R 7.57 5.09 0.00 1.59 1.84 0.00 2.21 0.00 0.00 2.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.35 0.00 114 T 7.90 5.02 4.25 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 0.00 0.00 0.00 1.26 0.00 0.00 115 M 8.82 4.61 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.39 0.00 116 V 8.62 4.78 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 0.64 0.00 0.00 0.66 0.00 0.00 117 V 8.78 4.91 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 0.93 0.00 0.00 1.07 0.00 0.00 118 H 8.45 5.36 0.00 3.10 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.39 4.16 0.00 1.97 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 0.00 2.36 2.38 0.00 120 K 8.30 4.74 0.00 1.80 1.71 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81 121 P 0.00 4.85 0.00 1.96 1.96 0.00 3.94 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 2.01 1.92 0.00 122 D 9.12 4.66 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 9.16 4.78 0.00 2.94 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 0.00 124 L 9.62 3.35 0.00 1.75 1.75 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 125 G 9.25 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 0.00 126 R 7.97 4.69 0.00 1.87 1.94 0.00 3.33 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 127 G 7.82 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 0.00 0.00 0.00 128 G 9.94 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 0.00 0.00 0.00 129 N 7.64 4.84 0.00 2.91 2.91 0.00 0.00 6.13 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 0.00 130 E 8.63 3.73 0.00 2.00 2.04 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 2.40 2.34 0.00 131 E 8.27 4.12 0.00 2.09 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 2.39 2.33 0.00 132 S 8.48 4.26 0.00 4.08 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 0.00 133 T 7.55 4.02 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 0.00 134 K 7.36 4.15 0.00 1.94 1.84 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.59 7.81 135 T 8.33 4.13 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 1.12 0.00 0.00 136 G 8.40 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 7.90 4.31 0.00 3.04 2.88 0.00 0.00 6.92 8.87 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 0.00 138 A 7.60 4.25 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.56 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 0.00 0.00 0.00 0.00 140 S 8.36 4.43 0.00 3.94 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 0.00 141 R 8.32 4.71 0.00 1.69 1.84 0.00 3.18 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 142 L 9.02 4.28 0.00 1.77 1.71 0.93 0.76 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 0.00 143 A 7.78 4.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 C 8.28 5.71 0.00 3.02 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 0.00 145 G 8.05 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 4.34 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 0.78 0.00 0.00 0.99 0.00 0.00 147 I 8.83 4.27 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.48 0.40 0.00 0.00 148 G 8.85 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.28 4.30 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 1.26 0.55 0.91 0.00 0.00 150 A 8.23 4.73 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 0.00 151 K 8.70 4.13 0.00 1.88 1.77 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.