NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5824 8.2833 118.2091 52.8264 38.1844 175.8261 *4 I 4.0168 8.9583 117.6176 61.2395 40.0806 177.4152 5 D 4.1878 8.5744 120.0245 57.5929 40.6819 179.1203 6 Q 3.6904 7.5281 116.0921 58.0952 28.6975 177.7500 7 L 4.0317 7.0789 117.0454 55.7392 42.2753 176.2819 8 N 4.0144 7.4695 115.6927 54.2727 36.9893 173.8694 9 I 4.4137 7.4172 118.9575 60.5043 38.6104 175.9770 10 T 4.6348 8.7799 115.3120 60.0616 71.4339 173.2263 11 D 4.5345 8.7324 117.6636 55.1024 38.4646 173.6906 12 F 4.6831 8.3613 121.5355 58.3340 39.9450 174.2837 13 Q 4.5737 8.5937 123.9290 54.3559 32.3463 173.9319 14 V 4.9301 8.3719 121.2927 59.9813 33.3763 174.8218 15 F 5.1823 8.7759 119.6789 55.3173 41.4531 173.7479 16 T 4.8582 8.6719 116.5253 62.2053 70.2759 173.8082 17 D 4.6259 8.9869 123.4561 54.6683 43.3564 176.0408 *26 K 4.1703 7.7651 116.7036 56.0996 33.5334 175.5218 27 I 4.1627 7.9881 125.2894 60.3860 38.6447 174.2428 28 Y 4.8159 8.4563 125.4360 56.5919 39.6858 175.1122 29 K 5.3293 8.9861 123.2345 54.5283 36.7021 174.9951 30 F 5.4039 8.4819 115.6949 55.4568 41.8217 173.5811 31 S 5.4047 8.9122 113.7728 57.3732 66.9826 172.6745 32 S 5.0663 8.5065 113.8999 58.3868 66.7216 173.5303 33 K 5.3458 8.6207 119.7336 54.2723 36.0151 175.1472 *35 I 4.3041 8.3380 123.0860 62.3444 38.1538 175.4021 36 L 4.4397 8.6838 127.7172 54.0186 43.3553 176.6102 37 S 4.5019 8.3173 115.2561 57.8389 65.8252 173.3390 38 D 4.3785 9.1978 117.4417 57.8841 41.1833 178.9003 39 F 4.0754 7.8521 119.7204 61.6207 39.3752 175.6395 40 H 4.3994 8.4334 114.8063 56.1969 29.0258 174.7923 41 A 4.6545 7.6563 123.8544 51.4390 19.3005 177.4555 42 Q 4.4720 8.6039 120.8928 54.0463 30.3681 175.2391 43 P 4.2674 0.0000 0.0000 65.5249 31.3377 177.8833 44 Q 4.0444 8.0887 114.9862 56.2623 29.2283 176.4639 45 G 3.8588 8.2392 106.2881 44.8313 0.0000 173.5585 46 F 5.0621 8.5099 119.2037 55.8993 41.1882 174.9239 47 L 4.2780 9.1131 123.9187 55.1935 42.4974 176.2311 48 N 4.2720 9.2123 126.3422 53.7842 39.3091 175.7739 49 G 3.6338 9.1433 113.8124 47.9965 0.0000 175.3046 50 G 3.6064 8.8715 107.9008 47.5415 0.0000 175.7245 51 A 4.0861 8.1797 123.2797 55.0699 18.3339 180.0022 52 S 4.1173 7.9320 113.2650 61.5963 63.0802 176.2750 53 L 3.9812 8.2567 121.8839 57.9964 41.3634 179.4568 54 A 3.9672 7.9664 120.1311 55.1894 18.3657 179.0351 55 L 3.8625 8.2677 118.9566 58.5391 42.0356 179.2349 56 A 4.0456 8.2086 120.3017 55.1336 18.2442 179.2112 57 E 3.8337 8.2366 117.7953 59.4390 29.5171 179.0300 58 I 3.6315 7.7043 118.9459 64.6569 37.2860 178.3038 59 T 3.4424 7.6567 108.9105 64.3319 68.7969 176.0472 60 A 3.4510 7.8040 123.7377 54.4820 18.3663 180.9249 61 G 3.7531 7.8625 101.6396 45.3271 0.0000 175.2475 *63 A 4.4869 8.0054 125.7709 51.9953 20.7369 180.2472 64 S 4.5723 8.3692 112.0283 62.0393 62.7811 176.6629 65 N 4.3899 8.4014 119.0228 56.2313 38.0069 177.3549 66 A 4.0254 7.9727 121.0578 55.0096 18.6220 179.2642 67 I 3.9820 7.4977 118.2641 64.3335 37.5493 178.5777 68 G 2.6938 8.1940 106.3150 45.1024 0.0000 173.7002 69 S 3.7504 8.4711 115.4893 59.4663 61.0012 173.5299 70 G 3.9711 8.1818 107.1201 45.5890 0.0000 175.1900 71 Q 4.1545 7.8388 119.1296 58.4908 29.0296 175.0987 72 Y 5.4363 6.9321 113.5503 55.7356 41.2768 174.0318 73 F 5.4428 8.7439 114.8240 55.0054 40.9771 174.3400 74 A 4.8818 9.8879 123.9814 51.6849 19.6265 176.5975 75 F 4.8330 9.2558 124.5947 55.8155 42.4159 174.5389 76 G 3.8255 8.2913 113.6250 46.6317 0.0000 171.6205 77 Q 4.8209 9.2499 126.6301 57.2455 30.6338 175.6896 78 S 4.8417 7.7801 112.0975 56.8227 66.8578 172.4729 79 I 5.1236 8.2684 121.3724 59.7828 41.0944 173.9524 80 N 5.0464 9.5395 125.0947 51.7137 41.6703 172.7508 81 A 5.2451 8.7021 127.0087 50.1334 22.4558 174.5304 82 N 4.8586 9.1379 119.0406 51.6735 41.5188 173.5314 83 H 4.8460 8.6673 121.6215 54.9118 29.0431 174.7073 84 L 4.5404 9.2788 123.8780 55.9409 42.9536 176.9893 85 N 5.0479 7.8131 112.6706 50.5325 42.5467 172.4256 86 P 4.3016 0.0000 0.0000 62.2886 32.3225 175.9288 87 K 4.6569 8.2493 121.6350 54.5297 35.3425 175.4245 88 K 4.4170 8.8502 127.0110 56.3364 32.8949 177.8355 89 C 4.6912 8.4529 125.8565 58.0750 28.7112 172.1283 90 E 4.7422 8.2596 117.8950 55.8445 33.3511 178.8078 91 G 3.9361 8.8187 110.2761 46.5327 0.0000 175.8701 92 F 5.2358 8.8556 118.9941 55.3816 40.6171 173.3187 93 V 4.7012 8.3124 113.1164 59.7097 35.7447 174.4256 94 N 5.2675 9.4230 120.4432 52.0698 41.0048 174.0115 95 A 5.2566 8.9821 124.5531 50.3504 21.8376 175.3050 96 R 4.7082 8.9219 121.7402 54.4462 33.7010 175.3120 97 G 3.8510 7.2945 110.6509 43.9464 0.0000 171.5634 98 L 5.3068 8.9192 122.4721 52.8831 45.6809 175.2612 99 L 3.6949 8.5667 129.0880 54.3989 41.2133 176.3259 100 L 4.1450 8.6483 128.6712 56.9583 42.6778 177.8892 101 K 4.2062 7.5481 119.9524 54.7220 35.1601 175.8196 102 N 4.8586 8.6231 129.1216 52.0992 37.3352 173.9551 103 G 3.9782 8.1469 111.4854 43.6607 0.0000 171.8988 104 K 4.0813 8.3961 118.4426 58.5318 33.1454 177.7643 105 R 4.4690 7.7945 113.1615 55.4784 31.6954 174.9766 106 N 5.5041 7.8328 116.7998 51.9720 43.3405 172.7294 107 H 5.3404 8.9693 119.2430 53.9751 32.2764 173.3081 108 V 4.7812 8.1912 122.3175 61.1030 33.7645 174.0528 109 W 5.2204 9.6518 129.0077 55.0400 31.6131 174.8471 110 E 4.8085 9.5875 126.8021 55.1050 30.5883 174.5447 111 I 4.9019 9.3017 128.9745 59.4517 40.3969 174.7599 112 K 4.8148 9.1727 127.1852 54.7250 34.6189 175.1979 113 I 5.0446 8.8451 127.2657 59.9565 39.0784 174.9977 114 T 5.1572 8.6975 117.3552 59.8122 72.5538 174.4422 115 D 4.5966 8.6252 123.0252 52.4456 41.3712 176.4217 116 E 3.9353 8.2463 115.5868 58.4532 29.9133 176.8147 117 N 4.6887 8.5950 117.4049 52.4607 38.6337 175.0336 118 E 3.8505 8.0512 115.4775 57.3578 27.9829 174.7291 119 T 3.9735 7.5307 114.8674 63.0706 68.8639 173.7944 120 L 4.3142 8.4557 128.8828 55.2758 42.8338 175.9700 121 I 4.2170 9.1773 127.7448 63.4382 38.1725 176.0997 122 S 5.1217 7.8521 116.2853 56.9485 67.7323 172.4802 123 Q 5.0238 9.0489 124.3465 54.4558 31.7701 174.3215 124 I 5.2081 9.0613 126.3610 60.0153 41.8203 174.0710 125 T 5.1235 9.1483 123.4835 61.8222 71.2163 173.5354 126 V 4.8511 9.1097 125.8857 61.1119 34.9415 174.0630 127 V 4.7607 8.9565 128.3900 61.5318 33.4492 173.8784 128 N 5.4467 9.3004 126.0733 51.6523 40.7667 174.3543 129 A 4.6145 9.2073 126.0452 51.7517 20.2143 176.5536 130 L 4.5329 8.6955 123.0655 53.0728 42.6536 175.9936 131 V 4.0613 7.7266 124.6580 58.8979 33.2125 173.8656 132 P 4.7725 0.0000 0.0000 63.0792 32.0213 176.1477 133 Q 4.3146 8.6451 123.2577 56.3336 29.2129 174.9501 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 N 8.28 4.58 0.00 2.95 2.65 0.00 0.00 6.10 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 I 8.96 4.02 1.96 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 1.36 0.80 0.82 0.00 0.00 5 D 8.57 4.19 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 6 Q 7.53 3.69 0.00 1.37 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 7 L 7.08 4.03 0.00 1.78 1.79 1.19 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.47 4.01 0.00 2.88 3.03 0.00 0.00 7.17 7.36 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 9 I 7.42 4.41 1.83 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 1.50 0.70 0.93 0.00 0.00 10 T 8.78 4.63 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 11 D 8.73 4.53 0.00 2.83 2.77 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 12 F 8.36 4.68 0.00 3.02 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 13 Q 8.59 4.57 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 14 V 8.37 4.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.18 0.00 0.00 15 F 8.78 5.18 0.00 3.07 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 16 T 8.67 4.86 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 0.98 0.00 0.00 17 D 8.99 4.63 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 K 7.77 4.17 0.00 1.54 1.12 0.00 1.78 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.43 7.81 27 I 7.99 4.16 1.79 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 1.18 0.57 0.85 0.00 0.00 28 Y 8.46 4.82 0.00 2.76 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.99 5.33 0.00 0.79 0.99 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.20 7.81 30 F 8.48 5.40 0.00 2.69 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 31 S 8.91 5.40 0.00 3.98 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 0.00 32 S 8.51 5.07 0.00 4.11 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.62 5.35 0.00 1.62 1.64 0.00 1.53 0.00 0.00 1.02 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.19 7.81 *35 I 8.34 4.30 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.95 0.00 0.00 36 L 8.68 4.44 0.00 1.63 1.58 0.93 0.60 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 37 S 8.32 4.50 0.00 3.92 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 38 D 9.20 4.38 0.00 2.73 2.78 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 39 F 7.85 4.08 0.00 3.11 3.06 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 40 H 8.43 4.40 0.00 3.32 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.66 4.65 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 42 Q 8.60 4.47 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 43 P 0.00 4.27 0.00 2.07 2.16 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 44 Q 8.09 4.04 0.00 2.38 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 45 G 8.24 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 46 F 8.51 5.06 0.00 3.10 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 47 L 9.11 4.28 0.00 1.65 1.76 1.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.21 4.27 0.00 2.87 2.72 0.00 0.00 6.63 7.53 0.00 0.00 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 9.14 3.63 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 0.00 0.00 0.00 50 G 8.87 3.61 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 0.00 51 A 8.18 4.09 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 52 S 7.93 4.12 0.00 4.09 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 53 L 8.26 3.98 0.00 1.87 1.76 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.97 3.97 1.44 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 0.00 0.00 55 L 8.27 3.86 0.00 1.90 2.03 0.99 1.01 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 56 A 8.21 4.05 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 57 E 8.24 3.83 0.00 2.03 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 2.22 2.28 0.00 58 I 7.70 3.63 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 0.63 0.76 0.00 0.00 59 T 7.66 3.44 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 1.20 0.00 0.00 60 A 7.80 3.45 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 61 G 7.86 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 *63 A 8.01 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.37 4.57 0.00 4.13 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 65 N 8.40 4.39 0.00 2.80 2.88 0.00 0.00 6.93 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 66 A 7.97 4.03 1.48 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 67 I 7.50 3.98 2.11 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 1.10 0.78 0.65 0.00 0.00 68 G 8.19 2.69 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 69 S 8.47 3.75 0.00 4.06 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 70 G 8.18 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 0.00 0.00 0.00 71 Q 7.84 4.15 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 72 Y 6.93 5.44 0.00 2.81 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 73 F 8.74 5.44 0.00 3.21 3.20 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 0.00 74 A 9.89 4.88 1.39 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 75 F 9.26 4.83 0.00 3.25 2.89 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 76 G 8.29 3.83 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 0.00 0.00 0.00 77 Q 9.25 4.82 0.00 2.12 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 78 S 7.78 4.84 0.00 3.89 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 79 I 8.27 5.12 1.87 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 1.23 0.56 0.93 0.00 0.00 80 N 9.54 5.05 0.00 2.70 2.63 0.00 0.00 6.51 7.91 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 81 A 8.70 5.25 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 82 N 9.14 4.86 0.00 2.57 2.69 0.00 0.00 6.87 7.80 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 83 H 8.67 4.85 0.00 3.03 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.28 4.54 0.00 1.64 1.69 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.81 5.05 0.00 2.75 2.63 0.00 0.00 6.93 8.02 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 86 P 0.00 4.30 0.00 1.98 1.46 0.00 3.57 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 87 K 8.25 4.66 0.00 1.82 1.62 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.53 7.81 88 K 8.85 4.42 0.00 1.70 1.71 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.63 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.52 1.39 7.81 89 C 8.45 4.69 0.00 3.16 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 90 E 8.26 4.74 0.00 2.08 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 0.00 2.18 2.28 0.00 91 G 8.82 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 92 F 8.86 5.24 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.70 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 0.82 0.00 0.00 1.01 0.00 0.00 94 N 9.42 5.27 0.00 2.76 2.83 0.00 0.00 6.88 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 95 A 8.98 5.26 1.44 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 0.00 0.00 96 R 8.92 4.71 0.00 1.70 1.71 0.00 3.10 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 97 G 7.29 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 98 L 8.92 5.31 0.00 1.71 1.48 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.57 3.69 0.00 1.35 1.23 0.49 0.20 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 0.00 100 L 8.65 4.14 0.00 1.55 1.65 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.55 4.21 0.00 1.70 1.52 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.38 7.81 102 N 8.62 4.86 0.00 2.62 2.71 0.00 0.00 7.18 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 0.00 103 G 8.15 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 0.00 104 K 8.40 4.08 0.00 1.82 1.91 0.00 1.48 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.36 7.81 105 R 7.79 4.47 0.00 1.75 2.03 0.00 2.86 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 106 N 7.83 5.50 0.00 2.62 2.64 0.00 0.00 6.94 8.16 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 0.00 107 H 8.97 5.34 0.00 3.15 2.91 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.19 4.78 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 1.05 0.00 0.00 0.91 0.00 0.00 109 W 9.65 5.22 0.00 3.40 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 0.00 110 E 9.59 4.81 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 111 I 9.30 4.90 2.09 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.83 1.05 0.00 0.00 112 K 9.17 4.81 0.00 1.64 1.71 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.39 7.81 113 I 8.85 5.04 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 0.97 0.00 0.00 114 T 8.70 5.16 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 1.23 0.00 0.00 115 D 8.63 4.60 0.00 2.79 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 0.00 116 E 8.25 3.94 0.00 1.90 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 0.00 2.07 2.05 0.00 117 N 8.59 4.69 0.00 2.91 2.83 0.00 0.00 6.93 7.18 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 0.00 118 E 8.05 3.85 0.00 2.12 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 0.00 2.27 2.42 0.00 119 T 7.53 3.97 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 120 L 8.46 4.31 0.00 1.59 1.59 1.01 1.08 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 0.00 121 I 9.18 4.22 2.00 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 1.40 0.80 0.96 0.00 0.00 122 S 7.85 5.12 0.00 3.78 3.75 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 0.00 0.00 0.00 123 Q 9.05 5.02 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 124 I 9.06 5.21 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 1.01 0.00 0.00 125 T 9.15 5.12 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 1.29 0.00 0.00 126 V 9.11 4.85 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 1.06 0.00 0.00 1.01 0.00 0.00 127 V 8.96 4.76 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 1.00 0.00 0.00 0.96 0.00 0.00 128 N 9.30 5.45 0.00 2.80 2.80 0.00 0.00 6.47 6.85 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 0.00 129 A 9.21 4.61 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 0.00 130 L 8.70 4.53 0.00 1.08 0.90 0.70 0.31 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 0.00 131 V 7.73 4.06 1.79 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 -0.02 0.00 0.00 0.57 0.00 0.00 132 P 0.00 4.77 0.00 1.95 2.07 0.00 3.51 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 2.00 2.08 0.00 133 Q 8.65 4.31 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.