NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4586 8.1627 120.2791 55.2277 34.1255 173.4225 2 V 4.4880 8.2802 122.1893 59.5595 33.7105 173.1935 3 T 4.7765 9.1631 117.8622 59.9942 72.6232 172.4178 4 Q 4.5298 8.4829 123.1446 54.3793 31.2812 175.0721 5 L 4.9298 7.9131 127.9172 53.2983 41.1761 176.3807 6 K 4.2788 8.6624 123.6757 56.8107 33.6003 177.3238 7 S 4.7257 7.5804 111.9633 55.6687 64.8781 174.3577 8 A 4.1614 8.6799 128.3921 55.2206 17.9611 180.1169 9 S 4.0000 7.8350 113.1931 61.9050 62.9963 176.7285 10 E 3.9633 8.3133 121.9701 58.5797 28.9247 178.5169 11 Y 4.1657 7.6436 119.0498 60.1450 39.2356 176.4020 12 D 4.1141 8.7860 119.6914 57.4824 41.2711 178.3881 13 S 4.0378 8.2148 114.3446 61.3139 62.8586 176.2300 14 A 4.0313 7.6972 124.5145 54.4684 18.2362 178.9140 15 L 4.0276 7.8291 116.6770 55.9888 41.7766 177.9445 16 A 4.1143 7.6206 122.3355 53.2858 18.0090 176.9824 17 S 4.6070 8.3023 110.0267 57.3758 64.3800 176.3423 18 G 4.3063 7.7006 111.5990 44.7678 0.0000 173.5175 19 D 4.6657 8.2305 125.0240 56.0833 41.9815 177.3162 20 K 4.1306 7.7509 116.5131 56.3038 32.5710 174.4896 21 L 4.3462 8.3530 121.6654 54.7795 43.5469 176.3940 22 V 4.1592 8.3218 126.7576 61.2253 33.3360 174.2829 23 V 4.1770 8.3312 129.2990 61.1514 33.6121 174.7521 24 V 4.7921 7.6616 125.5288 61.0703 35.4552 173.9231 25 D 4.7388 8.6696 125.1813 52.7441 44.3578 174.1647 26 F 6.0107 9.1582 126.2696 55.3465 41.2500 175.2025 27 F 4.4017 8.5694 119.2714 55.1698 40.7339 174.4075 28 A 3.8784 7.0807 126.4178 51.0883 19.0155 177.2276 29 T 3.2571 6.6489 105.9691 63.8666 66.9679 171.9723 30 W 4.2515 7.1631 123.8978 58.1307 30.1436 177.0097 31 C 5.8000 8.5308 131.6253 62.0959 34.0750 171.7183 32 G 3.9247 8.4724 118.6304 43.8800 0.0000 172.3922 33 P 4.3133 0.0000 0.0000 66.1320 31.0820 177.6620 34 C 3.6318 8.3582 111.7245 60.6869 29.5744 174.8699 35 K 4.4466 8.5846 120.9536 57.3518 33.1893 177.5088 36 M 4.1917 7.9640 117.2867 57.8572 32.6778 177.1342 37 I 4.0680 8.4405 118.8041 61.4003 37.6117 177.2917 38 A 3.8071 7.2409 122.1166 55.0389 18.1251 177.9645 39 P 4.2379 0.0000 0.0000 66.5876 31.4669 177.7410 40 M 4.1533 8.3616 116.4735 58.5290 31.7090 178.1513 41 I 3.7341 7.8565 112.4381 64.7466 37.7695 178.1521 42 E 3.8326 8.0891 119.7974 58.5552 29.6883 178.4080 43 K 4.0888 8.8455 120.7738 59.4191 32.2839 178.9311 44 F 3.8742 9.3068 117.9993 60.0128 38.5032 177.2395 45 A 3.2681 7.5852 119.8306 54.7957 17.9905 178.5557 46 E 4.1389 7.6936 114.3484 57.0276 29.8103 177.3623 47 Q 3.9455 8.1554 121.6328 58.3852 29.8111 175.7339 48 Y 4.7004 7.1184 114.7329 57.9078 38.7471 175.9234 49 S 4.7293 8.7148 114.2783 58.9200 65.3423 174.5658 50 D 4.7503 7.9341 118.9421 51.8514 39.0452 174.0265 51 A 4.6298 7.9802 120.9846 50.7030 22.1075 176.8337 52 A 4.4464 8.7452 125.9324 51.2557 19.8836 176.5541 53 F 4.3995 8.9295 122.0688 57.6720 40.1752 175.3786 54 Y 5.0930 9.1019 124.2550 56.5412 38.2917 174.9499 55 K 4.6864 8.3672 126.4429 55.4794 34.0796 175.5796 56 L 4.5662 8.8793 126.2411 55.3107 46.3118 173.7559 57 D 4.3342 9.0060 121.4601 53.4814 40.7281 176.4203 58 V 4.5854 7.8463 125.5447 64.7987 40.1371 174.6081 59 D 4.4086 7.9046 119.2124 56.8232 41.4426 178.4596 60 E 3.6900 8.2276 118.9000 58.3629 29.2315 176.2223 61 V 4.0320 7.0173 115.4024 62.4196 33.7023 177.2338 62 S 4.1202 8.3277 113.7896 59.1327 62.2818 171.3631 63 D 4.5775 7.3895 119.2984 57.3903 40.9231 178.5318 64 V 3.5751 7.5684 117.5630 66.1256 31.6206 177.7789 65 A 3.8395 8.0705 119.2543 55.3635 18.0402 179.0038 66 Q 3.9754 7.8672 116.6618 59.2644 29.3571 178.0246 67 K 4.2009 7.5539 118.8439 58.7349 33.5497 178.4278 68 A 4.2892 8.0833 125.2370 50.9204 16.1731 175.4185 69 E 3.8572 8.2012 119.4136 56.4902 30.2811 177.1408 70 V 4.0383 8.1166 123.7893 62.0205 32.9160 175.9995 71 S 4.7222 8.0397 121.5037 56.6742 63.1026 172.2643 72 S 4.4598 7.3479 112.9970 61.1865 65.5577 174.5555 73 M 4.9301 8.2782 110.9249 54.8944 31.4272 172.7985 74 P 5.0227 0.0000 0.0000 62.9642 34.1406 176.0317 75 T 4.6630 8.4086 115.5844 62.7782 71.9714 172.9525 76 L 5.8405 8.6744 125.8145 52.0517 44.7502 176.0347 77 I 5.0583 7.8955 114.5035 59.2822 41.7073 173.6303 78 F 4.8162 8.4849 120.1423 55.9004 42.3952 173.6174 79 Y 4.7820 8.6497 121.5294 56.3681 39.2642 176.2538 80 K 4.3325 9.1285 124.4834 56.9073 34.5093 176.6387 81 G 3.9468 7.6905 107.2001 45.3283 0.0000 172.9995 82 G 4.5119 8.3504 101.3562 44.5529 0.0000 173.9634 83 K 4.4965 7.7492 117.7704 54.3950 36.1655 175.2646 84 E 3.7934 9.5157 125.0737 57.1261 29.6511 175.7199 85 V 4.2834 8.2039 117.4011 62.6461 34.3170 176.8905 86 T 4.5549 7.4212 111.4837 59.8022 67.8307 173.6808 87 R 4.4796 7.9368 125.3111 57.0879 31.9193 178.0016 88 V 4.4034 9.1375 120.2172 61.8762 33.2180 171.5944 89 V 4.4480 8.0205 116.2390 59.8575 32.7516 174.7354 90 G 3.9560 8.0565 121.7792 44.7340 0.0000 174.4838 91 A 4.4763 8.5004 124.2768 51.4675 20.2090 175.2464 92 N 4.2077 8.2552 114.3036 51.5910 41.8696 172.9475 93 P 4.1366 0.0000 0.0000 66.1775 31.1857 178.1551 94 A 3.7010 8.1629 120.8236 54.6210 17.9264 179.1492 95 A 4.0195 8.1259 118.4795 54.6966 18.2178 179.8558 96 I 3.9389 8.7181 113.3258 64.1546 37.8381 177.9216 97 K 4.9638 8.0097 122.5224 58.9412 31.9790 178.4608 98 Q 3.7608 8.0209 118.5459 58.9050 28.9437 178.7131 99 A 3.8576 7.5128 120.6936 54.6029 18.6524 179.5113 100 I 3.6320 8.7752 118.1224 64.3736 37.0895 178.6647 101 A 4.0004 8.4190 120.2746 54.2377 18.1557 179.2550 102 S 4.2106 7.5047 111.4801 61.3772 62.8393 175.8203 103 N 4.4561 7.9462 117.3659 55.4033 38.4488 175.4259 104 V 3.7435 7.6922 124.3819 62.1573 31.2202 175.8094 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 M 8.16 4.46 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 2 V 8.28 4.49 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 0.89 0.00 0.00 0.56 0.00 0.00 3 T 9.16 4.78 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 1.34 0.00 0.00 4 Q 8.48 4.53 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.11 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 5 L 7.91 4.93 0.00 1.77 1.52 0.65 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.66 4.28 0.00 1.71 1.83 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 7 S 7.58 4.73 0.00 3.80 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 8 A 8.68 4.16 1.38 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 0.00 0.00 0.00 9 S 7.83 4.00 0.00 4.02 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 10 E 8.31 3.96 0.00 2.03 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 2.29 2.28 0.00 11 Y 7.64 4.17 0.00 2.93 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 12 D 8.79 4.11 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 13 S 8.21 4.04 0.00 4.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.70 4.03 1.63 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 15 L 7.83 4.03 0.00 1.44 1.31 -0.06 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.62 4.11 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 17 S 8.30 4.61 0.00 3.98 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 18 G 7.70 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 19 D 8.23 4.67 0.00 2.64 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 20 K 7.75 4.13 0.00 1.79 1.80 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.45 7.81 21 L 8.35 4.35 0.00 1.68 1.45 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.32 4.16 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 0.40 0.00 0.00 0.95 0.00 0.00 23 V 8.33 4.18 1.41 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 0.09 0.00 0.00 0.14 0.00 0.00 24 V 7.66 4.79 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 0.21 0.00 0.00 1.24 0.00 0.00 25 D 8.67 4.74 0.00 2.62 2.40 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 26 F 9.16 6.01 0.00 3.17 3.01 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 0.00 0.00 0.00 27 F 8.57 4.40 0.00 2.63 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 28 A 7.08 3.88 1.12 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 0.00 0.00 29 T 6.65 3.26 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 0.97 0.00 0.00 30 W 7.16 4.25 0.00 3.55 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 31 C 8.53 5.80 0.00 3.11 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 32 G 8.47 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 33 P 0.00 4.31 0.00 2.24 2.17 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 34 C 8.36 3.63 0.00 3.18 3.24 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 35 K 8.58 4.45 0.00 1.81 1.95 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.44 7.81 36 M 7.96 4.19 0.00 2.07 2.09 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 2.59 2.63 0.00 37 I 8.44 4.07 1.87 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 1.42 0.91 0.81 0.00 0.00 38 A 7.24 3.81 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 39 P 0.00 4.24 0.00 2.19 2.12 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 40 M 8.36 4.15 0.00 1.87 2.06 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 2.69 2.64 0.00 41 I 7.86 3.73 2.04 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.64 0.82 0.00 0.00 42 E 8.09 3.83 0.00 2.04 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 0.00 2.27 2.25 0.00 43 K 8.85 4.09 0.00 1.98 2.15 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.44 7.81 44 F 9.31 3.87 0.00 3.25 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.59 3.27 0.40 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 46 E 7.69 4.14 0.00 1.98 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 2.24 2.19 0.00 47 Q 8.16 3.95 0.00 1.45 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.96 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 48 Y 7.12 4.70 0.00 3.26 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 49 S 8.71 4.73 0.00 4.00 4.01 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 0.00 0.00 0.00 50 D 7.93 4.75 0.00 2.78 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 A 7.98 4.63 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 52 A 8.75 4.45 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 53 F 8.93 4.40 0.00 2.87 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 54 Y 9.10 5.09 0.00 2.88 2.79 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 55 K 8.37 4.69 0.00 2.07 1.73 0.00 1.74 0.00 0.00 1.95 0.00 0.00 2.82 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.71 7.81 56 L 8.88 4.57 0.00 1.44 1.64 0.71 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 57 D 9.01 4.33 0.00 2.49 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 0.00 0.00 0.00 58 V 7.85 4.59 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 1.04 0.00 0.00 0.96 0.00 0.00 59 D 7.90 4.41 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.23 3.69 0.00 1.85 1.93 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 2.26 2.27 0.00 61 V 7.02 4.03 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 0.93 0.00 0.00 0.97 0.00 0.00 62 S 8.33 4.12 0.00 4.08 4.01 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 0.00 0.00 0.00 63 D 7.39 4.58 0.00 2.73 2.66 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 0.00 0.00 0.00 0.00 64 V 7.57 3.58 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 0.68 0.00 0.00 0.67 0.00 0.00 65 A 8.07 3.84 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 66 Q 7.87 3.98 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 67 K 7.55 4.20 0.00 1.82 1.86 0.00 1.95 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 68 A 8.08 4.29 1.20 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 0.00 0.00 69 E 8.20 3.86 0.00 1.94 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 2.29 2.47 0.00 70 V 8.12 4.04 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 1.01 0.00 0.00 0.71 0.00 0.00 71 S 8.04 4.72 0.00 3.94 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 72 S 7.35 4.46 0.00 3.83 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 73 M 8.28 4.93 0.00 1.52 2.02 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 2.39 2.35 0.00 74 P 0.00 5.02 0.00 2.29 2.24 0.00 4.02 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 2.02 1.97 0.00 75 T 8.41 4.66 4.61 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 1.40 0.00 0.00 76 L 8.67 5.84 0.00 1.99 1.38 0.93 0.50 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 77 I 7.90 5.06 1.57 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 1.05 0.00 0.00 78 F 8.48 4.82 0.00 3.01 2.86 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 79 Y 8.65 4.78 0.00 2.88 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 80 K 9.13 4.33 0.00 1.77 1.77 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.40 7.81 81 G 7.69 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 0.00 0.00 0.00 82 G 8.35 4.51 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 0.00 0.00 0.00 83 K 7.75 4.50 0.00 1.63 1.77 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.60 7.81 84 E 9.52 3.79 0.00 2.12 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 2.28 2.17 0.00 85 V 8.20 4.28 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 0.96 0.00 0.00 0.94 0.00 0.00 86 T 7.42 4.55 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 1.13 0.00 0.00 87 R 7.94 4.48 0.00 1.87 2.11 0.00 3.15 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 88 V 9.14 4.40 2.37 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 0.92 0.00 0.00 0.71 0.00 0.00 89 V 8.02 4.45 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 0.90 0.00 0.00 0.96 0.00 0.00 90 G 8.06 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 91 A 8.50 4.48 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 92 N 8.26 4.21 0.00 2.63 2.65 0.00 0.00 7.26 7.69 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 93 P 0.00 4.14 0.00 2.14 2.14 0.00 3.76 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 2.05 2.02 0.00 94 A 8.16 3.70 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 95 A 8.13 4.02 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 96 I 8.72 3.94 1.93 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 0.82 0.00 0.00 97 K 8.01 4.96 0.00 2.17 2.10 0.00 1.90 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.81 1.54 7.81 98 Q 8.02 3.76 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 99 A 7.51 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.78 3.63 1.37 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 1.37 0.93 -0.23 0.00 0.00 101 A 8.42 4.00 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 0.00 102 S 7.50 4.21 0.00 3.99 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 0.00 103 N 7.95 4.46 0.00 2.74 2.86 0.00 0.00 6.84 7.11 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 0.00 104 V 7.69 3.74 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 0.72 0.00 0.00 0.98 0.00 0.00