NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9937 8.3393 109.7361 45.4519 0.0000 173.1694 2 S 4.4074 8.2816 117.5697 55.4919 65.8872 172.4196 3 S 4.2078 8.8825 119.2227 59.3681 62.7695 176.0177 4 G 4.2487 8.0227 118.5544 44.5799 0.0000 171.5826 5 S 4.2889 7.9828 113.9597 58.2242 63.9482 174.3598 6 S 4.6121 7.9539 117.3385 56.3724 64.8768 173.6314 7 G 3.9643 7.9669 108.0030 45.7308 0.0000 172.3028 8 A 5.0359 8.2242 127.5959 49.6565 23.1211 174.4304 9 R 4.5150 8.0548 114.9956 54.1404 32.7567 175.7601 10 F 4.6061 9.1642 121.5995 57.9506 36.9413 175.1976 11 T 4.0939 8.2578 119.7182 63.4119 67.9066 174.6713 12 E 4.3249 8.3928 120.3280 56.5081 31.1472 174.5764 13 G 4.0250 8.1868 108.3579 44.5379 0.0000 173.1388 14 L 4.1864 7.7369 120.5533 54.5011 42.2399 176.7719 15 R 4.8877 8.0791 120.0247 53.6271 33.6699 175.2070 16 N 4.4441 8.7753 118.0269 53.6852 37.6017 173.8161 17 E 4.8476 8.9039 121.9538 54.4863 33.5426 173.9751 18 E 4.8512 8.5205 123.3513 54.8059 33.0738 173.9035 19 A 4.6535 8.7260 126.4461 51.2518 23.3259 175.3482 20 M 4.6525 8.4057 119.0111 54.0929 33.7178 176.2020 21 E 3.9614 9.0805 122.1404 57.4683 30.2799 177.8758 22 G 3.8925 8.9534 114.5971 45.5695 0.0000 173.3939 23 A 4.2132 7.3971 121.4469 52.2765 20.2965 176.5774 24 T 4.9451 8.4329 114.5962 60.7618 69.0716 174.7764 25 A 4.0780 8.2779 128.2029 52.8558 19.9475 176.6264 26 T 4.7103 8.0837 116.1512 62.4626 71.9875 173.5576 27 L 4.6777 8.7050 127.3310 53.4132 44.3808 175.6769 28 Q 5.1315 8.3316 121.1240 54.9330 32.3368 173.7211 29 C 4.9752 8.7708 118.2130 57.4091 33.2100 172.3246 30 E 5.1122 8.7239 121.7123 54.5478 32.5625 174.7286 31 L 4.8138 8.1636 122.2231 52.5277 45.0872 177.6142 32 S 4.1730 8.6886 116.3131 61.0640 62.5168 174.7607 33 K 4.2420 7.5889 114.0329 55.4427 35.0841 174.4826 34 A 3.7601 8.2546 122.6474 52.7505 18.6553 176.9515 35 A 4.3533 7.8754 122.4293 50.6329 21.6781 174.2711 36 P 4.4266 0.0000 0.0000 62.9034 32.0688 175.7900 37 V 4.5905 7.9534 112.7943 59.9709 36.0746 174.1205 38 E 4.7213 8.4248 120.7599 55.2264 33.2041 173.8265 39 W 5.1737 9.1268 126.5384 55.3773 31.8050 175.4375 40 R 5.3544 9.3492 122.6104 53.5917 33.6197 174.2224 41 K 4.1625 8.8916 124.0612 56.1550 34.8320 177.2002 42 G 4.0230 8.4661 110.6691 46.5909 0.0000 172.3938 43 L 3.5834 7.9445 113.6564 56.0310 40.7866 173.0863 44 E 4.5503 8.2830 116.3266 53.7460 32.3541 174.5671 45 A 4.7366 8.3331 126.5454 50.9561 18.4201 176.9679 46 L 4.2426 8.0648 120.1992 55.3669 42.5414 176.8382 47 R 4.8800 8.3288 117.7106 54.2800 33.2307 174.1011 48 D 4.8963 8.6756 119.3809 52.1809 41.8701 174.1171 49 G 4.2365 9.1307 116.9932 45.4547 0.0000 172.7382 50 D 4.6954 9.3366 116.8455 54.5923 42.2421 178.1015 51 K 3.9480 8.0726 121.1678 58.2580 33.4908 176.0355 52 Y 5.1885 7.9372 116.3914 56.0624 41.8565 175.0238 53 S 4.6506 8.7938 118.1824 56.6111 64.4369 172.4987 54 L 4.5859 8.4218 128.0724 53.6712 42.1991 176.6931 55 R 4.8515 8.3384 119.3182 55.3066 32.9779 174.2747 56 Q 4.7680 8.6023 118.6338 55.0459 31.3673 173.9134 57 D 4.6339 8.2900 120.2293 53.0292 41.4745 176.3586 58 G 3.7084 8.8518 118.2153 44.7200 0.0000 171.8071 59 A 4.5458 8.4724 119.8594 52.6815 22.5267 178.1885 60 V 3.7402 7.8733 116.2778 64.0119 32.4260 175.4629 61 C 4.8820 9.3217 126.6899 59.3731 30.6756 173.0368 62 E 5.1756 8.4285 120.5646 56.3411 32.9258 173.5316 63 L 4.4327 8.0204 128.9867 53.1245 45.0316 174.7639 64 Q 4.8929 8.1013 122.3012 54.1306 32.9014 174.5212 65 I 4.1717 8.2440 124.0714 59.6244 39.4187 174.2548 66 H 4.2195 8.8236 125.8962 56.5186 28.9677 176.6226 67 G 3.8487 8.8219 112.4707 46.3804 0.0000 172.4580 68 L 4.3700 8.2892 121.6810 54.3214 43.2959 176.3772 69 A 4.6139 7.8570 122.2497 51.8187 22.2438 177.2552 70 M 4.1450 8.6378 117.5533 58.7091 32.2249 179.2635 71 A 4.1026 8.1010 120.3180 55.3415 18.5819 177.9432 72 D 4.6377 8.0223 114.5752 57.8435 41.1034 177.0142 73 N 4.3120 7.1064 112.8377 52.6983 40.1130 174.5520 74 G 4.1735 6.3702 108.2495 45.0632 0.0000 175.3736 75 V 5.1696 7.5347 128.1292 60.1933 34.2368 172.4054 76 Y 4.7242 9.0215 123.4609 56.8630 39.9993 174.6740 77 S 5.2313 8.6725 118.9442 56.8284 66.8762 172.7884 78 C 4.6093 8.9480 123.8841 57.6012 34.0561 173.0752 79 V 4.1567 8.5048 128.7520 61.5813 31.4462 176.2574 80 C 4.0486 8.7639 123.5738 59.1022 29.8930 176.0381 81 G 4.7286 7.3471 117.5073 46.8722 0.0000 173.2723 82 Q 4.0490 7.3891 118.5732 57.1950 29.1821 175.1049 83 E 4.9051 7.7751 113.6275 54.1836 32.9308 173.8524 84 R 5.1375 8.3327 114.0281 54.9337 32.3535 174.3211 85 T 4.5966 8.0684 117.1428 60.1024 70.1124 172.8687 86 S 5.3788 8.4755 120.4551 56.7084 66.6061 172.2838 87 A 4.8482 8.9236 121.6926 51.0282 23.7101 174.6408 88 T 5.0564 8.4601 114.3191 61.8264 72.0583 173.2719 89 L 4.7937 8.3277 128.6448 53.7640 44.5081 175.2191 90 T 4.5754 8.4025 124.5449 62.3206 69.7237 174.0071 91 V 4.5847 9.0437 128.4107 61.5346 32.6481 175.4002 92 R 4.5375 8.4939 127.4442 54.9660 31.6759 176.0171 93 A 4.4703 8.5116 125.6303 51.6390 19.2202 177.3338 94 L 4.1306 8.2876 122.3711 53.5807 42.3764 175.5768 95 P 4.4572 0.0000 0.0000 62.6124 32.2200 174.9449 96 A 4.7308 8.0984 120.7322 50.2227 21.3795 175.7829 97 R 4.4166 8.3317 119.8408 55.1730 31.0106 175.4883 98 F 5.0642 8.3899 126.0279 55.4227 42.9421 173.7184 99 I 3.3495 6.4330 115.8381 61.6089 37.1392 174.6180 100 E 4.5371 7.9974 122.4687 55.4933 32.0779 174.1236 101 D 4.7515 8.4028 121.6529 52.8939 42.4349 174.9494 102 S 4.7359 8.2183 120.8057 57.3377 67.9281 172.6150 103 G 4.0034 8.7874 109.5968 45.5702 0.0000 172.0111 104 P 4.3490 0.0000 0.0000 62.5799 32.6702 177.3091 105 S 4.4020 8.6226 116.1697 58.2786 63.5320 173.4873 106 S 4.5414 7.8026 116.8194 57.3441 62.6612 173.8805 107 G 3.7535 8.4189 115.9413 46.2112 0.0000 172.2898 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 G 8.34 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 2 S 8.28 4.41 0.00 4.00 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 3 S 8.88 4.21 0.00 3.87 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 4 G 8.02 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 0.00 0.00 0.00 0.00 5 S 7.98 4.29 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.95 4.61 0.00 3.75 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 7 G 7.97 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.22 5.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.05 4.51 0.00 1.98 1.95 0.00 2.95 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 10 F 9.16 4.61 0.00 3.34 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 11 T 8.26 4.09 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 12 E 8.39 4.32 0.00 2.00 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 2.23 2.30 0.00 13 G 8.19 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 0.00 0.00 0.00 14 L 7.74 4.19 0.00 1.56 1.61 0.84 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.08 4.89 0.00 1.66 1.82 0.00 3.23 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 16 N 8.78 4.44 0.00 2.73 2.85 0.00 0.00 5.76 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 17 E 8.90 4.85 0.00 2.09 1.76 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 2.12 2.21 0.00 18 E 8.52 4.85 0.00 1.95 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 2.18 2.31 0.00 19 A 8.73 4.65 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 20 M 8.41 4.65 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 21 E 9.08 3.96 0.00 1.99 1.89 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 2.30 2.39 0.00 22 G 8.95 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 23 A 7.40 4.21 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 24 T 8.43 4.95 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 0.89 0.00 0.00 25 A 8.28 4.08 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 26 T 8.08 4.71 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 27 L 8.71 4.68 0.00 1.34 1.64 0.75 0.46 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 28 Q 8.33 5.13 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 29 C 8.77 4.98 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.72 5.11 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 31 L 8.16 4.81 0.00 1.53 1.34 0.81 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.69 4.17 0.00 3.95 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 33 K 7.59 4.24 0.00 1.92 1.68 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.20 1.25 7.81 34 A 8.25 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 35 A 7.88 4.35 1.16 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 36 P 0.00 4.43 0.00 2.19 2.07 0.00 3.68 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 1.96 1.97 0.00 37 V 7.95 4.59 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.97 0.00 0.00 38 E 8.42 4.72 0.00 1.97 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 2.24 2.35 0.00 39 W 9.13 5.17 0.00 3.27 3.17 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 40 R 9.35 5.35 0.00 1.71 1.83 0.00 3.12 0.00 0.00 3.32 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.42 0.00 41 K 8.89 4.16 0.00 1.55 1.99 0.00 1.86 0.00 0.00 1.97 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.41 7.81 42 G 8.47 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 L 7.94 3.58 0.00 1.76 1.73 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.28 4.55 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 2.19 2.25 0.00 45 A 8.33 4.74 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 46 L 8.06 4.24 0.00 1.60 1.10 0.83 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.33 4.88 0.00 1.79 1.89 0.00 3.07 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 48 D 8.68 4.90 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.13 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 0.00 0.00 0.00 0.00 50 D 9.34 4.70 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 51 K 8.07 3.95 0.00 1.76 1.60 0.00 1.41 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.93 0.70 7.81 52 Y 7.94 5.19 0.00 3.11 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.79 4.65 0.00 3.97 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 54 L 8.42 4.59 0.00 1.59 1.64 0.83 0.90 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 55 R 8.34 4.85 0.00 1.99 1.98 0.00 2.77 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 56 Q 8.60 4.77 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 57 D 8.29 4.63 0.00 2.59 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.85 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 0.00 0.00 0.00 59 A 8.47 4.55 1.28 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 0.00 0.00 0.00 60 V 7.87 3.74 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 1.10 0.00 0.00 0.96 0.00 0.00 61 C 9.32 4.88 0.00 3.30 3.30 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 62 E 8.43 5.18 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 63 L 8.02 4.43 0.00 0.27 0.13 0.39 0.28 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 64 Q 8.10 4.89 0.00 2.02 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.45 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 65 I 8.24 4.17 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.95 0.00 0.00 66 H 8.82 4.22 0.00 2.99 3.18 0.00 5.63 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.82 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 68 L 8.29 4.37 0.00 1.89 1.59 0.94 1.29 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 69 A 7.86 4.61 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 70 M 8.64 4.14 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 71 A 8.10 4.10 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 72 D 8.02 4.64 0.00 3.15 2.93 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 73 N 7.11 4.31 0.00 3.01 2.81 0.00 0.00 7.15 7.75 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 74 G 6.37 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 0.00 0.00 0.00 0.00 75 V 7.53 5.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.97 0.00 0.00 76 Y 9.02 4.72 0.00 3.07 3.09 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 0.00 0.00 0.00 0.00 77 S 8.67 5.23 0.00 3.68 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 78 C 8.95 4.61 0.00 1.96 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 0.00 0.00 0.00 79 V 8.50 4.16 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 1.00 0.00 0.00 0.91 0.00 0.00 80 C 8.76 4.05 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.35 4.73 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 82 Q 7.39 4.05 0.00 1.97 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 83 E 7.78 4.91 0.00 2.24 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 2.25 2.40 0.00 84 R 8.33 5.14 0.00 1.85 1.91 0.00 3.16 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 85 T 8.07 4.60 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 -0.16 0.00 0.00 86 S 8.48 5.38 0.00 3.86 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 87 A 8.92 4.85 1.27 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 0.00 0.00 88 T 8.46 5.06 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 89 L 8.33 4.79 0.00 2.01 1.79 0.85 0.75 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 90 T 8.40 4.58 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 1.22 0.00 0.00 91 V 9.04 4.58 2.20 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 0.81 0.00 0.00 1.07 0.00 0.00 92 R 8.49 4.54 0.00 1.84 1.82 0.00 3.17 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 93 A 8.51 4.47 1.22 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 94 L 8.29 4.13 0.00 1.63 1.61 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.46 0.00 2.18 2.08 0.00 3.73 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 1.99 1.96 0.00 96 A 8.10 4.73 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 97 R 8.33 4.42 0.00 1.81 1.88 0.00 3.20 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 98 F 8.39 5.06 0.00 2.87 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 99 I 6.43 3.35 1.63 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.47 0.46 0.00 0.00 100 E 8.00 4.54 0.00 2.05 1.80 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 2.17 2.31 0.00 101 D 8.40 4.75 0.00 2.58 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 4.74 0.00 3.85 3.69 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 0.00 103 G 8.79 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 0.00 0.00 0.00 104 P 0.00 4.35 0.00 2.19 2.07 0.00 3.76 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 1.98 1.95 0.00 105 S 8.62 4.40 0.00 4.00 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 0.00 106 S 7.80 4.54 0.00 3.84 3.81 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 0.00 0.00 0.00 0.00 107 G 8.42 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