NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2526 8.1727 120.1324 56.8083 34.8695 173.8810 2 V 4.7047 8.0312 121.2279 60.6648 32.7269 174.6432 3 F 4.4053 9.3624 127.9240 57.4924 40.1842 174.5638 4 E 4.2111 9.2663 122.9138 55.5049 30.9337 176.4960 5 R 3.4975 9.0884 123.8991 60.8541 29.9572 179.3551 6 C 4.3752 8.3528 115.4407 59.5036 37.3430 175.8208 7 E 3.9011 8.4910 121.4263 59.1909 29.2514 178.5854 8 L 3.4117 8.0591 120.1929 57.7445 42.0488 178.5096 9 A 3.9209 7.8420 120.7052 55.4837 18.2386 179.8651 10 R 3.8881 8.1372 116.4438 59.5962 30.0914 179.5373 11 T 3.8386 7.8506 115.4862 66.6939 68.5016 176.7726 12 L 3.8304 8.0957 121.2897 57.5135 41.6284 179.5782 13 K 3.9185 8.0343 119.6484 59.5237 31.9606 178.9013 14 R 3.9641 8.0494 118.1177 59.0016 29.9397 177.3249 15 L 4.4650 7.6511 117.0565 54.0057 41.8063 176.7567 16 G 3.9179 7.7278 105.9100 47.1272 0.0000 175.3795 17 M 3.9756 7.8084 120.9012 55.9689 32.5473 175.6483 18 D 4.6751 7.9781 117.5042 56.9890 40.7295 175.8419 19 G 4.0035 9.6135 116.7145 44.9287 0.0000 171.3150 20 Y 4.2035 8.2831 122.2015 58.9747 39.0529 176.2396 21 R 3.6323 8.8970 125.8764 57.2281 27.8593 177.0827 22 G 3.8033 8.1706 102.8792 45.9322 0.0000 174.1464 23 I 4.0213 7.7073 122.3254 59.3450 38.0019 176.0069 24 S 4.6391 8.2832 120.8627 57.8236 64.9638 174.8236 25 L 4.2090 8.4749 124.2357 58.4991 41.7986 179.0901 26 A 4.1267 8.1820 120.1721 55.4916 18.2835 179.2502 27 N 4.4293 7.9480 114.9197 56.1999 38.5728 177.7631 28 W 4.2658 8.0550 120.1141 59.9674 29.0536 178.4891 29 M 4.1131 8.4809 118.9308 58.5732 31.5034 177.9856 30 C 3.2713 8.0277 118.6558 59.0500 44.9098 175.3425 31 L 4.0252 8.1944 121.7158 58.2604 41.6686 178.7355 32 A 4.2760 8.2616 122.0824 54.4027 18.2822 179.2818 33 K 3.0365 8.2846 118.0781 59.5512 32.0630 179.0981 34 W 4.2391 7.8084 117.0365 58.9861 29.0402 178.3736 35 E 4.3722 8.2490 118.6236 58.5489 29.4242 177.6385 36 S 4.5334 8.0935 109.6360 56.5571 64.6012 174.3548 37 G 3.5400 8.2183 108.9039 47.0596 0.0000 173.7511 38 Y 3.6736 7.8150 113.2951 58.4268 35.5153 168.6328 39 N 5.2185 7.7983 120.1115 52.1917 39.3847 176.0344 40 T 4.0088 9.0925 117.8844 64.2028 69.0541 175.9876 41 R 4.3580 8.2712 119.2076 56.0296 30.8352 176.3772 42 A 4.2990 7.7902 121.9885 52.5104 19.3146 176.8733 43 T 4.9851 8.4025 111.4982 59.8565 72.3788 173.1385 44 N 4.8535 9.0191 122.6226 52.0041 41.5898 172.2277 45 Y 4.8980 8.6672 127.8466 57.0829 40.3852 174.3409 46 N 4.5808 8.6609 123.9256 51.1407 40.1191 175.3408 47 A 3.6106 8.2702 128.1528 54.7709 18.9636 178.7988 48 G 3.7939 8.1491 104.3931 48.4698 0.0000 174.0281 49 D 4.7667 7.7813 115.7758 51.6793 39.8125 175.7598 50 R 3.9921 7.6336 116.8109 57.5126 28.5425 176.1196 51 S 4.9323 7.7687 111.1417 57.5934 65.8435 172.8941 52 T 5.1790 8.8029 116.4102 62.0384 72.6518 172.7459 53 D 5.3662 9.0467 125.7334 53.5466 42.9517 175.0734 54 Y 4.8779 9.1400 120.8745 57.3566 41.5032 177.7056 55 G 4.2192 8.8699 111.6368 44.7326 0.0000 173.5842 56 I 3.9545 8.0999 116.4618 62.8881 37.8633 177.8283 57 F 4.7962 7.9372 115.5166 56.4723 40.0304 175.0891 58 Q 3.6193 7.9815 119.2725 57.0936 26.5447 174.2900 59 I 4.3273 8.2277 118.9277 61.0492 39.1297 176.9131 60 N 5.2865 9.2346 126.7333 53.4710 38.3813 175.8368 61 S 4.5608 9.4915 121.2810 61.1225 63.8189 176.1649 62 R 3.8230 8.8996 121.6590 58.5082 30.3123 177.8499 63 Y 4.2032 7.5737 111.8640 58.0820 40.8300 176.8120 64 W 4.9398 8.3624 118.6554 57.5057 31.2535 173.9520 65 C 5.6127 8.1762 111.8132 53.8822 44.7198 172.7615 66 N 5.0661 9.0383 118.9509 51.9147 40.1821 174.6722 67 D 4.7660 8.7253 123.6764 52.2214 40.3333 176.2122 68 G 4.0139 8.7252 107.0251 46.4314 0.0000 174.7231 69 K 4.5738 8.4059 114.7337 56.7408 33.7113 175.6599 70 T 4.6727 7.8242 116.1355 61.3782 69.8935 172.5486 71 P 4.2125 0.0000 0.0000 64.1093 31.8276 176.3375 72 G 3.9251 8.5806 109.8829 46.4230 0.0000 172.9424 73 A 4.5667 7.7792 118.7133 50.7848 20.6910 177.4618 74 V 4.3504 8.0398 112.3577 59.2399 35.5448 176.1203 75 N 4.9565 8.0487 116.9036 51.9752 37.6854 174.3524 76 A 3.8924 8.9102 125.3661 55.1552 19.0490 178.5081 77 C 4.4901 8.6092 110.6674 57.2154 41.1310 173.0605 78 H 4.0756 8.0879 116.5968 56.0664 26.2339 173.7080 79 L 4.6567 8.2374 119.9104 53.4851 46.1150 174.5337 80 S 4.7432 8.3927 117.7123 57.8769 64.1865 176.1355 81 C 4.1197 8.7204 121.0761 59.6958 40.8450 176.6632 82 S 3.9437 7.9008 115.5432 61.1352 62.4053 175.9152 83 A 4.1478 7.7897 122.8999 53.8315 18.1127 177.7518 84 L 4.5381 7.7897 117.0053 54.7056 41.8632 177.4309 85 L 5.4891 7.8833 116.7510 53.6748 42.4573 176.4129 86 Q 4.5777 7.8013 117.2574 54.5290 30.2601 175.7446 87 D 4.3537 8.5756 120.1219 57.1594 41.0699 176.5666 88 N 4.5867 8.0222 118.1550 53.0332 38.8902 174.5193 89 I 4.2494 8.4031 119.2482 60.9716 38.0224 176.8078 90 A 3.9475 8.5907 125.2597 56.0783 18.1099 180.1127 91 D 4.2922 8.0881 116.3368 57.3821 40.8818 178.7014 92 A 4.0905 7.9721 120.8671 55.1012 18.3935 179.6961 93 V 3.3112 8.2322 116.9177 66.0107 31.7537 177.9962 94 A 3.8171 7.9399 120.4955 55.4475 18.1970 178.8605 95 C 4.2648 8.4290 116.7264 59.6001 40.0666 175.6044 96 A 3.8880 8.1851 122.8161 54.9380 17.5936 179.6957 97 K 3.7259 7.7837 116.6161 59.4135 32.3145 179.2377 98 R 4.0712 7.7190 118.5323 59.3348 30.0604 178.4653 99 V 2.5024 7.4493 118.0059 65.9173 31.2581 178.0779 100 V 3.8460 7.7358 110.0386 62.8158 31.2234 177.6695 101 R 4.3203 7.7543 117.2159 56.2776 30.6839 176.3317 102 D 4.7114 7.5661 119.6831 52.8948 41.9047 175.4585 103 P 4.1853 0.0000 0.0000 66.0875 31.1932 178.0318 104 Q 3.9940 8.1892 118.0698 56.7055 30.3049 176.8445 105 G 4.0446 8.1490 107.2876 46.8774 0.0000 175.3087 106 I 3.7625 7.8406 119.3227 63.3182 38.0217 177.9593 107 R 4.4488 7.3606 117.5773 57.6997 29.9307 177.4018 108 A 4.1270 7.6026 121.0718 53.8003 18.6635 178.4020 109 W 4.6835 8.2344 116.8241 55.6299 29.9368 177.3319 110 V 3.6906 8.7158 124.3639 66.1616 30.9428 177.6409 111 A 3.9986 8.2270 119.9405 54.8310 18.2088 179.2617 112 W 3.9526 8.3685 126.4139 60.6538 30.6862 178.2128 113 R 3.6524 8.0027 116.7736 59.4145 29.6008 178.5293 114 N 4.3571 8.1335 115.1262 55.2690 38.7057 176.7855 115 R 4.0374 7.7867 116.8120 55.7928 31.5769 175.9135 116 C 4.5073 7.0813 114.3507 57.8956 42.7206 174.1888 117 Q 3.2524 6.4610 119.8425 57.4077 28.5536 176.2911 118 N 4.2718 8.7405 120.3841 53.6607 36.3844 173.8573 119 R 4.5950 7.3018 116.7350 53.7387 32.8096 175.2547 120 D 4.5039 8.4565 119.5017 54.7517 41.8382 176.2540 121 V 5.2741 8.2353 116.4467 59.9996 33.4630 177.5509 122 R 4.1115 8.5995 122.3534 59.0454 30.3301 179.0558 123 Q 4.4624 8.0651 115.2833 58.6693 28.7089 178.1352 124 Y 4.1201 7.8003 115.6910 60.2838 38.1488 177.4325 125 V 4.3784 7.6591 110.8107 60.7274 32.6754 175.3152 126 Q 4.1308 7.9310 121.2568 57.3789 28.7366 177.1661 127 G 4.1145 8.7781 110.4539 46.8782 0.0000 174.7421 128 C 4.4148 8.0533 116.6186 55.7663 41.6575 173.4075 129 A 3.6134 8.0459 121.2155 52.9566 14.8660 177.5852 130 V 4.0599 7.2892 117.2530 61.0839 32.7513 176.2651 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 K 8.17 4.25 0.00 1.66 1.98 0.00 1.11 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.18 7.81 2 V 8.03 4.70 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 0.94 0.00 0.00 0.95 0.00 0.00 3 F 9.36 4.41 0.00 2.89 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 4 E 9.27 4.21 0.00 2.05 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 2.31 2.41 0.00 5 R 9.09 3.50 0.00 2.04 1.94 0.00 3.43 0.00 0.00 3.45 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 6 C 8.35 4.38 0.00 3.13 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 7 E 8.49 3.90 0.00 2.20 2.29 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 2.54 2.37 0.00 8 L 8.06 3.41 0.00 1.27 1.30 -0.22 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.84 3.92 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 10 R 8.14 3.89 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 11 T 7.85 3.84 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 1.20 0.00 0.00 12 L 8.10 3.83 0.00 1.69 1.55 0.90 0.41 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 13 K 8.03 3.92 0.00 1.92 1.95 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 8.05 3.96 0.00 1.90 2.10 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.65 4.46 0.00 1.63 1.53 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.73 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 17 M 7.81 3.98 0.00 1.11 1.89 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.14 0.00 18 D 7.98 4.68 0.00 2.68 2.68 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 19 G 9.61 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 20 Y 8.28 4.20 0.00 3.36 3.23 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 21 R 8.90 3.63 0.00 1.97 1.87 0.00 3.23 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.67 0.00 22 G 8.17 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 0.00 0.00 0.00 23 I 7.71 4.02 1.59 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.58 -0.43 0.00 0.00 24 S 8.28 4.64 0.00 4.10 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 25 L 8.47 4.21 0.00 2.03 1.80 1.00 1.16 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 26 A 8.18 4.13 1.51 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 27 N 7.95 4.43 0.00 2.76 2.75 0.00 0.00 7.01 7.55 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 28 W 8.06 4.27 0.00 3.58 3.07 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 29 M 8.48 4.11 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.94 0.00 30 C 8.03 3.27 0.00 2.62 3.19 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 31 L 8.19 4.03 0.00 1.78 1.87 0.34 -0.30 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 32 A 8.26 4.28 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 33 K 8.28 3.04 0.00 1.95 1.59 0.00 0.94 0.00 0.00 1.13 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.73 1.83 7.81 34 W 7.81 4.24 0.00 3.39 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 35 E 8.25 4.37 0.00 2.06 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 0.00 2.57 2.39 0.00 36 S 8.09 4.53 0.00 4.06 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 37 G 8.22 3.54 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 0.00 0.00 0.00 0.00 38 Y 7.81 3.67 0.00 3.27 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 39 N 7.80 5.22 0.00 2.76 2.86 0.00 0.00 6.98 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 40 T 9.09 4.01 4.44 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 1.42 0.00 0.00 41 R 8.27 4.36 0.00 2.00 2.03 0.00 3.36 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 42 A 7.79 4.30 1.32 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 0.00 0.00 43 T 8.40 4.99 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 1.14 0.00 0.00 44 N 9.02 4.85 0.00 2.87 2.81 0.00 0.00 6.69 8.23 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 45 Y 8.67 4.90 0.00 2.91 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 46 N 8.66 4.58 0.00 2.59 2.57 0.00 0.00 6.67 7.46 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 47 A 8.27 3.61 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 48 G 8.15 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 0.00 0.00 0.00 49 D 7.78 4.77 0.00 2.72 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 50 R 7.63 3.99 0.00 2.06 2.24 0.00 3.22 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 51 S 7.77 4.93 0.00 4.03 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 52 T 8.80 5.18 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 0.69 0.00 0.00 53 D 9.05 5.37 0.00 2.77 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 54 Y 9.14 4.88 0.00 2.97 2.94 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 55 G 8.87 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 56 I 8.10 3.95 1.66 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.86 -0.09 0.00 0.00 57 F 7.94 4.80 0.00 3.21 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 58 Q 7.98 3.62 0.00 2.53 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 59 I 8.23 4.33 2.14 0.00 0.00 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 1.33 1.10 1.15 0.00 0.00 60 N 9.23 5.29 0.00 3.14 3.10 0.00 0.00 6.96 7.63 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 61 S 9.49 4.56 0.00 4.08 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 0.00 62 R 8.90 3.82 0.00 1.62 1.50 0.00 2.73 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 63 Y 7.57 4.20 0.00 2.10 1.94 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 64 W 8.36 4.94 0.00 3.45 3.34 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 65 C 8.18 5.61 0.00 3.02 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 66 N 9.04 5.07 0.00 2.84 2.69 0.00 0.00 7.10 9.28 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 67 D 8.73 4.77 0.00 2.83 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 68 G 8.73 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 0.00 0.00 0.00 69 K 8.41 4.57 0.00 1.88 1.84 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.47 7.81 70 T 7.82 4.67 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 1.19 0.00 0.00 71 P 0.00 4.21 0.00 2.03 1.99 0.00 4.03 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 72 G 8.58 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 73 A 7.78 4.57 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 74 V 8.04 4.35 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 0.64 0.00 0.00 0.90 0.00 0.00 75 N 8.05 4.96 0.00 2.78 2.65 0.00 0.00 6.76 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 76 A 8.91 3.89 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 77 C 8.61 4.49 0.00 3.23 3.23 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 78 H 8.09 4.08 0.00 3.29 3.31 0.00 5.67 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.24 4.66 0.00 1.69 1.46 0.98 0.85 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 80 S 8.39 4.74 0.00 3.99 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 81 C 8.72 4.12 0.00 2.13 1.31 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 82 S 7.90 3.94 0.00 4.05 4.10 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 83 A 7.79 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.54 0.00 1.97 1.82 1.05 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.88 5.49 0.00 1.81 1.70 1.15 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.80 4.58 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 7.08 0.00 0.00 0.00 0.00 0.00 2.58 2.32 0.00 87 D 8.58 4.35 0.00 2.64 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 88 N 8.02 4.59 0.00 2.69 2.76 0.00 0.00 6.95 7.94 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 89 I 8.40 4.25 1.81 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.02 1.05 0.00 0.00 90 A 8.59 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.09 4.29 0.00 2.92 2.75 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 92 A 7.97 4.09 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 93 V 8.23 3.31 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 0.75 0.00 0.00 0.91 0.00 0.00 94 A 7.94 3.82 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 95 C 8.43 4.26 0.00 3.13 3.14 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 96 A 8.19 3.89 0.76 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 97 K 7.78 3.73 0.00 1.63 1.49 0.00 1.28 0.00 0.00 0.84 0.00 0.00 2.22 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.83 7.81 98 R 7.72 4.07 0.00 2.01 2.15 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 99 V 7.45 2.50 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 -0.20 0.00 0.00 -0.45 0.00 0.00 100 V 7.74 3.85 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 1.14 0.00 0.00 1.43 0.00 0.00 101 R 7.75 4.32 0.00 2.03 2.03 0.00 3.21 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.15 0.00 102 D 7.57 4.71 0.00 3.04 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 0.00 103 P 0.00 4.19 0.00 2.02 2.14 0.00 3.69 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 2.04 2.11 0.00 104 Q 8.19 3.99 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 105 G 8.15 4.04 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 0.00 106 I 7.84 3.76 1.11 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.80 -0.59 0.00 0.00 107 R 7.36 4.45 0.00 2.04 2.08 0.00 3.44 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.75 0.00 108 A 7.60 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.23 4.68 0.00 3.58 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 0.00 110 V 8.72 3.69 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 1.17 0.00 0.00 1.00 0.00 0.00 111 A 8.23 4.00 1.57 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 0.00 0.00 112 W 8.37 3.95 0.00 3.44 3.53 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 0.00 113 R 8.00 3.65 0.00 2.03 1.99 0.00 3.33 0.00 0.00 3.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 114 N 8.13 4.36 0.00 2.53 2.69 0.00 0.00 6.95 7.22 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 0.00 115 R 7.79 4.04 0.00 0.69 0.66 0.00 2.70 0.00 0.00 2.76 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.00 116 C 7.08 4.51 0.00 1.66 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 0.00 117 Q 6.46 3.25 0.00 0.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.06 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 118 N 8.74 4.27 0.00 2.81 2.88 0.00 0.00 6.96 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 0.00 119 R 7.30 4.59 0.00 1.81 1.78 0.00 2.99 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 120 D 8.46 4.50 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.24 5.27 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 1.35 0.00 0.00 1.04 0.00 0.00 122 R 8.60 4.11 0.00 2.02 2.02 0.00 3.16 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 123 Q 8.07 4.46 0.00 2.03 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 124 Y 7.80 4.12 0.00 3.33 3.21 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 0.00 125 V 7.66 4.38 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 1.03 0.00 0.00 1.06 0.00 0.00 126 Q 7.93 4.13 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.13 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 127 G 8.78 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 0.00 0.00 0.00 128 C 8.05 4.41 0.00 3.07 3.15 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 0.00 129 A 8.05 3.61 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 0.00 130 V 7.29 4.06 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 0.74 0.00 0.00 0.96 0.00 0.00