NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.1311 8.1548 120.2444 56.7466 31.2183 174.5812 7 M 4.2601 7.8146 115.3078 53.2570 34.6070 174.4698 8 K 4.8493 8.4894 126.2023 55.4860 33.7320 175.6228 9 Y 4.1287 8.7199 116.8906 59.3388 38.7833 175.9686 10 R 3.7431 8.6357 118.0780 57.1326 28.6080 177.1730 11 K 4.3389 7.2313 123.5674 55.4636 32.2621 176.4196 12 Q 4.5507 8.1993 120.1680 55.8665 32.3175 172.0351 13 Q 4.7334 7.9540 114.7412 54.2668 31.7292 173.5674 14 R 4.2776 7.9864 116.3998 57.0389 31.0974 176.9855 15 G 4.4146 7.4891 107.5429 44.0144 0.0000 174.2672 16 R 4.7758 7.7799 122.8597 55.0136 28.6369 179.6416 17 L 4.4097 7.9110 127.6641 55.5983 45.5348 172.7863 18 K 4.8762 8.5391 117.8888 56.2493 35.4948 173.5900 19 G 3.9313 8.6960 113.0180 42.2165 0.0000 173.7314 20 A 3.8872 8.3654 119.1845 51.7376 18.6605 178.7363 21 T 4.7388 7.7646 124.8185 61.5965 67.6989 172.5902 22 K 4.4529 7.2722 122.7527 56.7169 35.8985 174.4507 23 G 4.1470 8.2811 116.7033 45.2230 0.0000 175.7172 24 G 4.4678 5.3800 101.7903 45.3835 0.0000 172.9579 25 D 4.2134 7.5939 118.3917 52.7938 44.5068 174.1667 26 Y 4.7683 7.2695 125.2347 58.5649 45.6126 176.1252 27 V 4.0069 7.8303 110.4649 61.5074 34.5712 178.8513 28 A 4.4604 8.2758 120.8359 54.4506 22.4106 177.5054 29 F 5.6747 9.3203 135.0000 58.2879 41.0377 176.1862 30 G 5.0974 8.4798 122.3065 45.8527 0.0000 173.7548 31 D 4.9282 8.8198 117.5507 54.1051 38.4399 174.8043 32 Y 4.7503 8.2853 118.3612 55.6783 38.2105 173.7412 33 G 4.4701 9.1822 109.7839 44.0567 0.0000 169.5783 34 L 5.1990 8.9588 123.5147 52.6353 44.7410 175.8236 35 V 5.3789 8.8543 123.6516 59.0388 34.4757 176.5144 36 A 4.4280 8.2778 125.0798 53.3477 20.5672 174.8878 37 L 4.4669 8.4403 114.9827 54.6612 49.8100 177.5560 38 E 4.9450 8.4495 118.7339 54.6651 29.5891 174.8331 39 P 4.9926 0.0000 0.0000 60.2085 32.2120 180.8219 40 A 4.2667 7.4576 135.0000 53.6127 21.1986 178.8461 41 W 5.6555 7.9386 118.7975 58.0941 30.6673 174.9138 42 I 4.6814 8.2023 121.3812 59.4173 41.1447 173.8190 43 T 3.7461 8.8656 122.7259 62.7562 67.4595 173.7243 44 A 3.8976 8.5323 132.2813 55.6343 18.2421 178.7478 45 Q 4.0500 7.8673 114.0831 57.6431 28.3629 180.0114 46 Q 3.6315 8.6869 121.8147 59.8167 30.3223 178.8641 47 I 3.5392 8.3040 120.3922 64.7358 36.6377 177.4636 48 E 3.8464 9.0122 118.4916 60.4705 29.3501 178.7663 49 A 3.9207 8.1712 119.9715 54.9923 18.1345 178.8018 50 A 3.9514 8.6147 117.6868 55.3550 18.5556 179.8541 51 R 3.8823 8.0814 114.4893 60.4633 29.2535 178.0398 52 V 3.5763 8.6540 119.7293 64.7270 31.2021 178.2616 53 A 3.8248 8.5715 119.3675 55.8494 18.7897 178.8808 54 M 3.8356 8.8271 117.2548 57.9059 31.8899 179.1930 55 V 3.7480 8.6310 118.3896 66.2861 31.8743 178.7561 56 R 3.8892 8.1783 114.5786 59.6427 29.3992 177.5184 57 H 4.2081 8.0493 118.9295 58.3156 31.3982 175.9698 58 F 4.5056 7.9607 120.5657 60.0795 34.8666 175.0050 59 R 3.7712 8.6484 109.6530 56.1986 29.6291 177.1624 60 R 4.1586 7.9708 115.4587 56.1252 27.8851 176.1659 61 G 4.0750 8.0646 106.5438 45.0013 0.0000 172.7978 62 G 3.8012 8.6777 116.9134 44.4454 0.0000 172.4618 63 K 3.8861 8.3312 126.6889 56.1577 32.7544 175.9592 64 I 4.2830 7.7429 117.5849 60.4159 40.0841 173.2456 65 F 4.9536 8.1244 118.9135 57.3881 40.6852 178.1933 66 I 4.1692 5.4200 128.2495 61.6920 45.6365 173.3783 67 R 5.0426 8.8663 123.8394 57.1962 30.1623 174.5693 68 I 3.9839 8.0984 118.3485 60.9854 38.1364 173.6385 69 F 4.9311 8.1224 120.5025 56.0566 42.4757 173.7963 70 P 4.1386 0.0000 0.0000 64.4999 29.7363 181.6255 71 D 3.9063 7.2741 115.8765 52.1730 42.8135 176.0891 72 K 4.9376 8.9033 118.0737 54.3877 36.2199 172.9993 73 P 5.0109 0.0000 0.0000 61.6457 32.6069 174.0340 74 Y 4.3493 9.1698 123.8745 57.0538 39.6756 175.0910 75 T 5.5970 8.4920 119.4392 60.5326 71.7333 173.8362 76 K 4.4010 8.8651 124.0917 55.5092 34.4049 178.0680 77 K 3.8590 6.9910 118.4927 57.6588 33.5707 176.4092 78 P 4.1605 0.0000 0.0000 62.8691 32.1679 177.3188 79 L 4.4521 6.6625 129.1802 55.0423 48.4362 175.1152 80 E 5.9800 8.5365 128.9061 56.5330 29.8478 177.9815 81 V 3.9949 6.9753 115.1481 63.1789 30.6058 176.8858 82 R 4.6952 8.3881 116.2700 54.1388 33.0103 173.4690 83 M 4.4783 8.7209 119.5733 52.8424 32.6432 176.5770 84 G 5.1247 8.2950 124.4789 46.0948 0.0000 172.0692 85 K 4.1450 7.3092 122.0216 55.7453 32.6308 177.7887 86 G 3.7075 8.5358 106.1391 46.0524 0.0000 174.6509 87 K 3.9859 8.6883 118.8899 56.3251 31.8596 178.1283 88 G 4.0135 7.1941 103.0945 46.3115 0.0000 168.5309 89 N 4.3675 8.8595 126.5710 52.8351 38.7558 173.9976 90 V 4.5757 8.1003 115.7677 60.2239 34.4974 173.9824 91 E 4.9616 8.3794 120.9263 56.9703 37.4300 175.0926 92 G 4.0354 7.7913 109.0711 43.5571 0.0000 170.8958 93 Y 5.5264 7.8179 122.4153 56.0391 41.0031 175.6303 94 V 4.5083 7.7520 114.4675 60.8918 36.1960 172.1761 95 A 5.7213 8.6980 122.7471 52.3488 19.8334 177.4932 96 V 4.7781 8.5064 118.6853 60.8442 32.1675 173.4256 97 V 4.4663 9.0730 117.2225 59.1469 34.7153 175.8957 98 K 4.2631 8.8147 122.2316 56.5669 35.4401 174.5253 99 P 4.2337 0.0000 0.0000 62.0982 31.0744 176.9849 100 G 4.0911 8.2132 108.0769 46.0618 0.0000 172.7951 101 R 4.5522 7.5980 128.7507 53.8376 33.1273 176.3371 102 V 3.5824 7.9749 121.6759 62.3881 30.5255 173.9223 103 M 4.4127 8.3702 127.2845 53.9762 34.2496 174.9369 104 F 5.1474 9.1589 123.5699 55.9036 41.1746 174.7750 105 E 4.9425 9.0349 123.9650 54.7580 32.4287 176.2406 106 V 2.3494 8.8629 127.0264 61.1189 33.7351 175.2140 107 A 5.0094 7.7398 127.9526 53.7392 15.6877 178.9124 108 G 4.6309 8.0124 103.9753 45.0785 0.0000 175.3920 109 V 3.8264 8.3193 120.9139 62.9169 32.1601 175.8161 110 T 3.1811 8.4553 114.5448 61.4926 65.0958 170.0130 111 E 5.3329 7.9893 120.6985 53.3971 30.6983 177.3286 112 E 4.2034 8.8780 117.7810 58.3740 29.6955 179.2333 113 Q 3.9339 8.1361 119.5723 59.1989 28.8878 177.5266 114 A 4.3197 8.3370 121.9221 57.0702 18.4309 179.0237 115 M 3.4739 8.3612 112.4335 58.4764 32.0184 178.7699 116 E 3.7919 9.0611 118.8734 60.0806 30.1323 179.6196 117 A 3.8088 8.2756 120.6208 55.2644 18.3711 179.3661 118 L 3.9592 8.6692 117.7642 60.2699 40.5113 180.4099 119 R 3.6264 8.4249 119.0984 57.9719 29.8966 178.6874 120 I 3.7288 8.6072 119.3984 65.0363 37.3436 178.6526 121 A 3.9609 8.1355 121.2087 55.1165 18.1764 179.7458 122 G 3.5625 8.4493 103.3152 47.8599 0.0000 175.1767 123 H 4.1856 8.0828 119.8733 57.2618 30.2052 176.9984 124 K 3.9001 9.2349 118.2742 58.2213 32.0916 179.7059 125 L 4.4810 5.9230 120.3166 55.2760 45.2138 176.4417 126 P 5.0184 0.0000 0.0000 61.3357 30.9038 171.8713 127 I 4.0176 6.8195 109.8373 61.3180 40.7154 174.4781 128 K 4.4127 8.1110 121.9593 56.5394 32.7425 176.7827 129 T 4.9651 8.2142 113.9648 60.7388 72.0860 171.9161 130 K 4.8024 8.9333 122.3870 55.2017 36.4479 174.3808 131 I 4.9936 7.8325 121.3347 60.2683 41.2937 175.7788 132 V 4.2945 8.3236 117.2869 62.0396 39.5819 169.6384 133 R 4.6263 8.4346 123.1758 56.3310 30.8931 174.5634 134 R 4.2106 8.6699 119.9433 56.1343 30.0294 176.4262 135 D 4.8804 8.2630 123.1740 52.5578 40.8070 175.2868 136 A 4.6321 8.2687 119.7828 57.8277 22.0401 178.7323 137 Y 3.4606 7.9034 121.4278 57.6625 39.8347 175.2159 138 D 4.6391 8.5976 133.6338 53.7421 42.2884 174.5068 139 E 4.5262 8.5133 126.1644 54.2536 31.2741 174.6112 140 A 4.8393 7.9425 129.6903 49.9941 21.9714 176.0948 141 Q 4.1663 8.4748 115.0948 56.7284 28.9644 175.9098 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 6 R 8.15 4.13 0.00 1.91 1.95 0.00 3.18 0.00 0.00 3.82 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.57 0.00 7 M 7.81 4.26 0.00 2.26 1.78 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 8 K 8.49 4.85 0.00 1.91 1.86 0.00 1.21 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.32 1.35 7.81 9 Y 8.72 4.13 0.00 3.16 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 10 R 8.64 3.74 0.00 1.92 1.97 0.00 3.39 0.00 0.00 3.65 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 11 K 7.23 4.34 0.00 1.69 0.96 0.00 2.14 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.47 7.81 12 Q 8.20 4.55 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.50 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 13 Q 7.95 4.73 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 14 R 7.99 4.28 0.00 1.82 1.88 0.00 3.33 0.00 0.00 3.26 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 15 G 7.49 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 16 R 7.78 4.78 0.00 1.78 1.09 0.00 3.46 0.00 0.00 3.26 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 17 L 7.91 4.41 0.00 1.56 1.57 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.54 4.88 0.00 1.93 1.91 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.44 7.81 19 G 8.70 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 20 A 8.37 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.76 4.74 4.20 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 1.18 0.00 0.00 22 K 7.27 4.45 0.00 1.78 1.70 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 1.24 7.81 23 G 8.28 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 0.00 0.00 0.00 24 G 5.38 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 25 D 7.59 4.21 0.00 2.44 2.31 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 26 Y 7.27 4.77 0.00 3.05 3.05 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 27 V 7.83 4.01 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 1.49 0.00 0.00 1.19 0.00 0.00 28 A 8.28 4.46 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 29 F 9.32 5.67 0.00 3.49 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 30 G 8.48 5.10 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 0.00 0.00 0.00 31 D 8.82 4.93 0.00 2.72 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 Y 8.29 4.75 0.00 3.01 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 33 G 9.18 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 34 L 8.96 5.20 0.00 1.58 1.60 1.07 1.09 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 35 V 8.85 5.38 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 0.90 0.00 0.00 0.90 0.00 0.00 36 A 8.28 4.43 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 37 L 8.44 4.47 0.00 1.82 1.59 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.45 4.94 0.00 1.78 1.90 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 2.23 2.28 0.00 39 P 0.00 4.99 0.00 2.09 1.05 0.00 3.93 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 40 A 7.46 4.27 0.44 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 41 W 7.94 5.66 0.00 3.56 3.52 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 42 I 8.20 4.68 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.98 0.98 0.00 0.00 43 T 8.87 3.75 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 1.21 0.00 0.00 44 A 8.53 3.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.87 4.05 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.51 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 46 Q 8.69 3.63 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 47 I 8.30 3.54 2.43 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.65 0.90 0.00 0.00 48 E 9.01 3.85 0.00 2.10 2.24 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 2.63 2.49 0.00 49 A 8.17 3.92 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 50 A 8.61 3.95 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 51 R 8.08 3.88 0.00 2.11 2.26 0.00 2.84 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.14 0.00 52 V 8.65 3.58 2.32 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 1.05 0.00 0.00 1.01 0.00 0.00 53 A 8.57 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 54 M 8.83 3.84 0.00 2.59 2.39 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.95 0.00 55 V 8.63 3.75 2.25 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 1.10 0.00 0.00 1.03 0.00 0.00 56 R 8.18 3.89 0.00 1.96 2.06 0.00 3.18 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.05 0.00 57 H 8.05 4.21 0.00 2.97 2.88 0.00 5.79 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 58 F 7.96 4.51 0.00 3.26 2.92 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 59 R 8.65 3.77 0.00 2.00 2.17 0.00 3.28 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 60 R 7.97 4.16 0.00 1.94 2.08 0.00 3.23 0.00 0.00 3.10 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 61 G 8.06 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 62 G 8.68 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 63 K 8.33 3.89 0.00 1.71 1.75 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.50 7.81 64 I 7.74 4.28 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.82 0.00 0.00 65 F 8.12 4.95 0.00 2.80 2.46 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 66 I 5.42 4.17 1.66 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.29 0.94 0.00 0.00 67 R 8.87 5.04 0.00 2.13 1.96 0.00 3.11 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 68 I 8.10 3.98 1.94 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 1.38 0.96 0.99 0.00 0.00 69 F 8.12 4.93 0.00 3.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 1.90 1.94 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 71 D 7.27 3.91 0.00 3.21 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 72 K 8.90 4.94 0.00 1.87 1.78 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.42 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.57 7.81 73 P 0.00 5.01 0.00 2.22 2.51 0.00 3.55 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 74 Y 9.17 4.35 0.00 2.66 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 75 T 8.49 5.60 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 1.59 0.00 0.00 76 K 8.87 4.40 0.00 1.79 1.84 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.45 7.81 77 K 6.99 3.86 0.00 1.88 0.88 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.33 1.82 7.81 78 P 0.00 4.16 0.00 2.05 1.10 0.00 3.86 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 2.01 2.16 0.00 79 L 6.66 4.45 0.00 1.52 1.63 0.92 0.87 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 80 E 8.54 5.98 0.00 2.15 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 0.00 2.04 2.07 0.00 81 V 6.98 3.99 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 0.77 0.00 0.00 0.93 0.00 0.00 82 R 8.39 4.70 0.00 1.74 1.72 0.00 3.27 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 83 M 8.72 4.48 0.00 2.15 2.03 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 2.49 2.45 0.00 84 G 8.30 5.12 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 0.00 85 K 7.31 4.14 0.00 1.84 1.70 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.26 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.67 7.81 86 G 8.54 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 87 K 8.69 3.99 0.00 1.84 1.92 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.35 7.81 88 G 7.19 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 89 N 8.86 4.37 0.00 2.90 3.05 0.00 0.00 6.64 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 90 V 8.10 4.58 2.39 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 0.84 0.00 0.00 1.07 0.00 0.00 91 E 8.38 4.96 0.00 1.84 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 2.29 2.33 0.00 92 G 7.79 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 93 Y 7.82 5.53 0.00 2.97 3.11 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 94 V 7.75 4.51 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 -0.09 0.00 0.00 1.21 0.00 0.00 95 A 8.70 5.72 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 96 V 8.51 4.78 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 0.81 0.00 0.00 1.27 0.00 0.00 97 V 9.07 4.47 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 0.86 0.00 0.00 1.02 0.00 0.00 98 K 8.81 4.26 0.00 1.46 1.67 0.00 1.45 0.00 0.00 1.45 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.06 1.29 7.81 99 P 0.00 4.23 0.00 2.16 2.07 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 100 G 8.21 4.09 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 0.00 0.00 0.00 101 R 7.60 4.55 0.00 1.68 1.99 0.00 3.30 0.00 0.00 3.73 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 102 V 7.97 3.58 1.61 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 0.04 0.00 0.00 -0.11 0.00 0.00 103 M 8.37 4.41 0.00 1.88 2.33 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.72 0.00 104 F 9.16 5.15 0.00 2.65 2.92 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 0.00 105 E 9.03 4.94 0.00 1.87 1.87 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 2.30 2.31 0.00 106 V 8.86 2.35 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 -0.14 0.00 0.00 -0.09 0.00 0.00 107 A 7.74 5.01 0.28 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 0.00 108 G 8.01 4.63 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 0.00 109 V 8.32 3.83 2.55 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 1.02 0.00 0.00 1.23 0.00 0.00 110 T 8.46 3.18 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 1.19 0.00 0.00 111 E 7.99 5.33 0.00 2.10 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 0.00 2.19 2.00 0.00 112 E 8.88 4.20 0.00 2.19 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 2.30 2.34 0.00 113 Q 8.14 3.93 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 114 A 8.34 4.32 1.64 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 0.00 0.00 115 M 8.36 3.47 0.00 1.98 2.26 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 2.71 2.66 0.00 116 E 9.06 3.79 0.00 2.20 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 2.34 2.51 0.00 117 A 8.28 3.81 0.95 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 0.00 118 L 8.67 3.96 0.00 1.92 2.01 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.42 3.63 0.00 2.01 1.90 0.00 3.11 0.00 0.00 3.44 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 120 I 8.61 3.73 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.91 0.00 0.00 121 A 8.14 3.96 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 0.00 122 G 8.45 3.56 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 0.00 0.00 0.00 123 H 8.08 4.19 0.00 3.23 3.63 0.00 5.96 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 0.00 124 K 9.23 3.90 0.00 2.17 1.42 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.60 7.81 125 L 5.92 4.48 0.00 1.81 1.52 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 5.02 0.00 2.16 2.37 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 127 I 6.82 4.02 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.26 0.97 0.00 0.00 128 K 8.11 4.41 0.00 1.94 1.79 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.44 7.81 129 T 8.21 4.97 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 1.22 0.00 0.00 130 K 8.93 4.80 0.00 1.81 1.64 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.40 7.81 131 I 7.83 4.99 1.89 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 1.53 0.68 1.05 0.00 0.00 132 V 8.32 4.29 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 0.67 0.00 0.00 0.94 0.00 0.00 133 R 8.43 4.63 0.00 1.92 1.80 0.00 3.20 0.00 0.00 3.16 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 134 R 8.67 4.21 0.00 1.87 1.86 0.00 3.15 0.00 0.00 3.01 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.54 0.00 135 D 8.26 4.88 0.00 2.81 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 0.00 136 A 8.27 4.63 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 0.00 137 Y 7.90 3.46 0.00 2.99 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 0.00 138 D 8.60 4.64 0.00 2.88 2.81 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 0.00 139 E 8.51 4.53 0.00 1.90 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 2.19 2.20 0.00 140 A 7.94 4.84 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 0.00 141 Q 8.47 4.17 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00