NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3219 8.2644 123.5784 52.4064 20.1341 176.8627 3 Q 4.2382 7.9580 118.5835 52.7261 29.4687 170.9753 4 P 4.3717 0.0000 0.0000 62.1136 32.7910 176.7478 5 A 4.7463 7.5092 119.1035 50.2284 22.2155 176.8469 6 A 4.2415 8.8871 125.2843 51.5751 20.4226 175.9873 7 I 4.8747 8.2793 123.0248 59.6204 39.5767 174.9877 8 I 4.4951 9.1177 128.9975 59.6678 39.1739 174.9279 9 R 5.0235 8.5964 125.6913 54.4271 33.0311 175.5502 10 I 4.2210 8.6994 125.1579 59.7034 38.5997 174.6028 11 K 4.3781 8.5558 127.0232 56.1172 32.9655 177.3885 12 N 3.9384 8.7032 120.3006 54.2462 35.8411 173.0474 13 L 4.2933 8.7471 120.6117 54.3102 43.6562 176.0611 14 R 4.9463 8.5013 126.4275 55.1043 31.1878 175.9972 15 L 4.9354 8.7458 123.1563 53.0034 46.6492 175.5908 16 R 5.1326 8.0669 118.7263 55.0374 33.1068 174.8488 17 T 4.0932 8.1135 115.7726 61.3641 72.1054 171.6961 18 F 4.8742 8.5136 123.0745 56.9442 40.2543 175.1493 19 I 5.0905 8.8784 124.1554 60.1045 40.4804 174.1465 20 G 4.0747 8.5563 112.5568 44.5961 0.0000 172.8496 21 I 4.4722 8.1268 109.9831 60.1545 39.5513 176.8739 22 K 4.1683 8.1154 121.0516 55.8394 33.7955 177.0953 23 E 3.9090 8.8574 122.9350 59.8966 29.4846 179.6965 24 E 3.9408 8.1398 118.2514 59.4857 29.7089 178.4619 25 E 4.0787 8.2675 118.3550 59.2653 29.3294 178.9229 26 I 4.0638 7.7196 111.7952 63.0458 38.0729 177.2662 27 N 4.6573 7.8617 117.0155 53.5835 39.1283 174.9334 28 N 5.1688 7.8349 116.4294 51.0566 41.8915 174.4630 29 R 3.7960 8.1774 120.5148 56.1848 31.2160 175.7687 30 Q 4.7340 8.6291 120.0776 54.0517 33.1933 174.3630 31 D 5.0036 8.4836 121.3247 53.8692 42.3287 175.6230 32 I 5.0170 8.6524 116.4089 58.9988 41.7424 174.3444 33 V 4.7682 8.3773 123.0992 61.3087 34.4136 174.0843 34 I 4.9424 8.8785 129.0066 59.7208 39.7818 174.4003 35 N 5.4262 8.9889 123.0585 51.4443 42.2055 173.4938 36 V 4.8299 8.5482 123.0187 61.3161 35.1149 174.2105 37 T 5.1241 8.9705 123.5417 61.8905 71.9846 172.9320 38 I 5.1989 9.1177 126.9717 59.9330 40.9969 174.2480 39 H 5.8215 9.6297 124.2245 54.7448 31.8513 173.0790 40 Y 5.2519 8.7706 117.6374 55.1738 41.4106 171.9719 41 P 4.5393 0.0000 0.0000 63.4765 31.7273 177.3274 42 A 3.8320 8.2898 126.6385 54.9051 18.2044 179.2124 43 D 4.3695 7.8574 117.3971 56.7649 39.7516 178.9155 44 K 3.7190 7.8669 119.4204 58.4765 31.7314 178.8895 45 A 4.3479 7.4763 120.4107 55.4585 18.1085 179.6964 46 R 3.9963 7.6402 115.1644 58.6827 29.8740 177.2431 47 T 4.9838 7.5248 113.5315 61.3172 67.9520 174.6615 48 S 4.9647 7.6706 112.2429 57.7301 62.1554 174.1635 49 E 4.7070 7.8429 114.5419 55.6262 31.0191 176.8776 50 D 4.4588 8.2744 119.9896 56.8988 41.3487 176.9967 51 I 4.4487 7.5265 110.2974 60.1971 39.2223 174.7896 52 N 4.9557 8.4103 113.6677 52.5064 38.2156 174.9353 53 D 4.5851 8.1952 117.3201 54.3689 41.2046 176.1547 54 A 3.0334 6.9749 121.6705 51.7451 18.8611 177.3609 55 L 3.2205 6.8880 121.5430 54.2098 42.4832 176.4827 56 N 4.5775 8.0815 125.0206 51.6943 40.5519 174.2862 57 Y 4.2143 8.1816 127.9531 60.0589 38.0107 178.4336 58 R 3.9590 7.4422 119.8834 59.2574 30.0851 179.0814 59 T 3.7894 7.5989 115.1526 66.4640 68.6118 176.4807 60 V 3.5023 7.5247 119.9790 66.5965 31.4236 178.0665 61 T 3.8500 8.0097 114.9933 66.5129 68.3558 176.3086 62 K 3.8605 8.1530 121.4343 59.7763 32.1943 178.5208 63 N 4.3491 8.6919 116.8198 56.2425 38.4590 177.3965 64 I 3.6631 8.1476 121.5115 64.4728 37.2028 178.4026 65 I 3.6776 8.0529 120.7704 64.5403 36.4855 177.9941 66 Q 3.9762 8.0627 120.2313 59.8559 28.5643 178.3346 67 H 4.2883 8.0390 117.7247 58.9849 29.9677 177.2205 68 V 3.8932 7.7421 119.3909 66.2097 31.5626 177.7755 69 E 4.2239 8.5302 117.2792 58.5539 29.2721 177.1875 70 N 4.9480 7.5828 114.3334 52.8558 38.9013 174.0206 71 N 4.9366 7.9325 114.2683 52.1047 42.9177 173.6967 72 R 4.7742 7.8232 117.3713 54.4442 33.0644 175.4810 73 F 4.8411 9.2606 121.1786 55.6826 41.8759 176.6007 74 S 4.3038 8.8870 119.2792 60.2586 63.9237 175.0848 75 L 4.9161 7.5610 119.3938 51.5311 46.4600 177.2562 76 L 3.9630 8.5234 122.1082 58.0690 41.5920 179.6044 77 E 3.9636 8.2414 117.8868 59.4569 29.3799 179.4883 78 K 3.9838 8.0241 117.6374 59.3880 32.3057 178.6913 79 L 3.6453 7.8511 120.4824 58.6820 41.8347 179.2547 80 T 3.8111 8.3459 115.6671 66.4744 68.2591 176.4611 81 Q 3.9064 8.2626 121.5160 59.2834 29.1685 177.7392 82 D 4.3622 8.4042 120.3465 57.6218 40.9335 179.3770 83 V 3.4659 7.7532 118.2218 65.8248 31.5520 177.4535 84 L 3.8440 8.1462 120.5406 58.4707 41.7423 178.7611 85 D 4.1028 8.2647 118.7223 57.5374 40.5761 178.9611 86 I 3.5887 7.3921 118.4597 64.0582 37.0452 178.0185 87 A 4.1739 7.7499 121.3982 54.2717 18.4416 178.7577 88 R 4.1942 7.2412 112.0093 56.1128 29.7403 177.0945 89 E 3.8496 7.2798 121.7522 59.6828 29.8941 177.2736 90 H 4.2222 7.8839 118.2685 55.9861 30.3947 175.2473 91 H 4.5864 8.3152 120.3759 57.0167 28.6059 176.0488 92 W 4.6862 7.9855 119.5960 58.3971 29.6278 176.4030 93 V 4.0869 7.6114 118.3458 63.9705 31.0454 175.5451 94 T 4.4617 9.1664 125.1740 66.3240 69.1733 174.9981 95 Y 5.3278 8.0912 120.6200 56.1556 42.7693 173.3684 96 A 5.1504 8.4759 126.3897 50.1975 23.1107 174.5111 97 E 4.9813 9.3730 121.4728 54.3837 33.8566 174.6246 98 V 4.7629 8.8209 125.2003 61.2515 35.1887 173.2974 99 E 5.1594 9.2228 129.1268 54.4020 32.4598 174.3835 100 I 4.9400 8.6123 127.3993 59.6610 40.4193 174.1741 101 D 5.0357 8.8578 127.9264 53.2519 42.2228 175.8266 102 K 4.2516 8.9764 126.0939 54.3310 32.9527 174.7746 103 L 3.9445 8.2035 127.0230 55.3962 41.9029 177.6542 104 H 3.9923 7.9996 122.1423 56.9345 26.5752 174.7578 105 A 4.2835 7.8614 122.8028 53.8673 20.3309 178.1000 106 L 4.6246 7.5142 115.3259 52.8516 43.5434 176.0344 107 R 4.0259 8.0225 119.0495 57.3308 30.2321 176.2619 108 Y 4.1638 9.2877 117.5260 57.8363 35.3440 168.5766 109 A 4.8733 7.2950 120.5991 50.0595 22.4615 176.4059 110 D 4.5133 8.9338 120.9895 57.1653 41.1547 176.3243 111 S 4.9280 7.1321 110.1428 58.0914 65.7896 175.9257 112 V 4.6522 7.8007 117.5531 60.1780 34.1647 174.8404 113 S 5.2485 8.7796 117.9089 56.6144 66.5609 172.6267 114 M 4.7426 8.7692 120.6008 54.1471 34.5739 174.3168 115 T 5.1908 8.6137 122.1272 61.8636 71.5512 173.5359 116 L 5.0522 8.7854 124.3674 53.1762 46.3552 175.5088 117 S 5.1768 8.5931 115.1728 56.6669 66.8857 172.6680 118 W 5.2322 8.6978 129.0114 56.0142 34.1905 173.7012 119 Q 4.5770 7.6290 123.7460 54.2209 31.9011 175.8980 120 R 4.0019 7.9148 118.3611 56.8771 30.6935 176.5866 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 A 8.26 4.32 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 3 Q 7.96 4.24 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.51 0.00 0.00 0.00 0.00 0.00 2.20 2.47 0.00 4 P 0.00 4.37 0.00 2.07 2.00 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 5 A 7.51 4.75 1.17 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 6 A 8.89 4.24 0.63 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 7 I 8.28 4.87 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.55 0.89 0.00 0.00 8 I 9.12 4.50 2.04 0.00 0.00 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 1.33 1.12 0.91 0.00 0.00 9 R 8.60 5.02 0.00 1.63 1.80 0.00 3.18 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 10 I 8.70 4.22 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.11 0.90 0.00 0.00 11 K 8.56 4.38 0.00 1.61 1.72 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.43 7.81 12 N 8.70 3.94 0.00 2.79 2.79 0.00 0.00 7.02 7.85 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 13 L 8.75 4.29 0.00 1.71 1.65 0.92 0.96 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 14 R 8.50 4.95 0.00 1.72 1.84 0.00 3.19 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 15 L 8.75 4.94 0.00 1.56 1.45 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.07 5.13 0.00 1.58 1.67 0.00 3.19 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 17 T 8.11 4.09 4.26 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 1.24 0.00 0.00 18 F 8.51 4.87 0.00 3.07 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 19 I 8.88 5.09 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 0.98 0.00 0.00 20 G 8.56 4.07 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 0.00 0.00 0.00 21 I 8.13 4.47 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.92 0.00 0.00 22 K 8.12 4.17 0.00 1.92 1.78 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.67 7.81 23 E 8.86 3.91 0.00 1.98 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 0.00 2.42 2.36 0.00 24 E 8.14 3.94 0.00 2.05 1.96 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 2.40 2.42 0.00 25 E 8.27 4.08 0.00 2.24 2.27 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 2.43 2.40 0.00 26 I 7.72 4.06 1.79 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 1.79 0.57 0.95 0.00 0.00 27 N 7.86 4.66 0.00 2.83 2.97 0.00 0.00 6.77 9.19 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 28 N 7.83 5.17 0.00 2.69 2.68 0.00 0.00 7.04 6.94 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 29 R 8.18 3.80 0.00 1.44 1.55 0.00 2.97 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 30 Q 8.63 4.73 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 31 D 8.48 5.00 0.00 2.58 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 32 I 8.65 5.02 1.81 0.00 0.00 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 1.27 0.74 0.85 0.00 0.00 33 V 8.38 4.77 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 0.95 0.00 0.00 0.90 0.00 0.00 34 I 8.88 4.94 1.84 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 1.16 0.43 0.87 0.00 0.00 35 N 8.99 5.43 0.00 2.67 2.67 0.00 0.00 6.17 7.05 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 36 V 8.55 4.83 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 0.91 0.00 0.00 37 T 8.97 5.12 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 1.40 0.00 0.00 38 I 9.12 5.20 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 1.07 0.00 0.00 39 H 9.63 5.82 0.00 3.25 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.77 5.25 0.00 3.40 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 41 P 0.00 4.54 0.00 1.97 1.98 0.00 3.77 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 42 A 8.29 3.83 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 43 D 7.86 4.37 0.00 2.81 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 44 K 7.87 3.72 0.00 1.56 0.74 0.00 0.93 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.07 1.17 7.81 45 A 7.48 4.35 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 46 R 7.64 4.00 0.00 1.80 1.98 0.00 3.29 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 47 T 7.52 4.98 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 48 S 7.67 4.96 0.00 4.20 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 49 E 7.84 4.71 0.00 2.13 2.03 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 2.24 2.28 0.00 50 D 8.27 4.46 0.00 2.86 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 51 I 7.53 4.45 2.00 0.00 0.00 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 1.88 0.68 1.09 0.00 0.00 52 N 8.41 4.96 0.00 2.81 3.01 0.00 0.00 5.93 8.07 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 53 D 8.20 4.59 0.00 2.76 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 A 6.97 3.03 1.21 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 0.00 0.00 55 L 6.89 3.22 0.00 0.71 1.05 0.30 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.08 4.58 0.00 2.54 2.47 0.00 0.00 6.92 7.56 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 57 Y 8.18 4.21 0.00 3.20 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 58 R 7.44 3.96 0.00 1.81 1.88 0.00 3.00 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 59 T 7.60 3.79 4.27 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 1.14 0.00 0.00 60 V 7.52 3.50 2.23 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 0.89 0.00 0.00 0.92 0.00 0.00 61 T 8.01 3.85 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 1.23 0.00 0.00 62 K 8.15 3.86 0.00 1.93 1.97 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 63 N 8.69 4.35 0.00 2.86 2.82 0.00 0.00 7.08 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 64 I 8.15 3.66 2.00 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 1.49 1.01 0.89 0.00 0.00 65 I 8.05 3.68 1.88 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 1.41 0.80 0.92 0.00 0.00 66 Q 8.06 3.98 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 67 H 8.04 4.29 0.00 3.26 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.74 3.89 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 0.84 0.00 0.00 0.93 0.00 0.00 69 E 8.53 4.22 0.00 2.07 2.02 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 2.50 2.36 0.00 70 N 7.58 4.95 0.00 2.84 2.83 0.00 0.00 6.79 7.88 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 71 N 7.93 4.94 0.00 2.67 1.94 0.00 0.00 6.90 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 72 R 7.82 4.77 0.00 1.57 1.71 0.00 2.92 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.45 0.00 73 F 9.26 4.84 0.00 3.13 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 74 S 8.89 4.30 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 75 L 7.56 4.92 0.00 1.75 1.75 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.52 3.96 0.00 1.69 1.72 0.91 0.88 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 77 E 8.24 3.96 0.00 2.07 2.03 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 2.42 2.49 0.00 78 K 8.02 3.98 0.00 2.09 2.06 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.63 7.81 79 L 7.85 3.65 0.00 1.31 1.70 -0.09 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.35 3.81 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 1.24 0.00 0.00 81 Q 8.26 3.91 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 82 D 8.40 4.36 0.00 3.04 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 83 V 7.75 3.47 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 0.94 0.00 0.00 0.89 0.00 0.00 84 L 8.15 3.84 0.00 1.81 1.82 0.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.26 4.10 0.00 2.78 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 86 I 7.39 3.59 1.93 0.00 0.00 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 1.36 0.48 0.85 0.00 0.00 87 A 7.75 4.17 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 88 R 7.24 4.19 0.00 1.02 1.62 0.00 2.21 0.00 0.00 2.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.00 89 E 7.28 3.85 0.00 2.11 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 2.25 2.17 0.00 90 H 7.88 4.22 0.00 3.01 2.99 0.00 5.73 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.32 4.59 0.00 3.41 3.41 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 W 7.99 4.69 0.00 3.30 3.41 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 93 V 7.61 4.09 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 0.98 0.00 0.00 1.08 0.00 0.00 94 T 9.17 4.46 4.57 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 1.30 0.00 0.00 95 Y 8.09 5.33 0.00 2.97 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 96 A 8.48 5.15 1.19 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 0.00 0.00 97 E 9.37 4.98 0.00 1.89 1.78 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 2.22 2.26 0.00 98 V 8.82 4.76 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 0.84 0.00 0.00 0.88 0.00 0.00 99 E 9.22 5.16 0.00 2.06 1.75 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 2.18 2.24 0.00 100 I 8.61 4.94 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.84 0.00 0.00 101 D 8.86 5.04 0.00 2.58 2.54 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 0.00 102 K 8.98 4.25 0.00 1.76 1.68 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.38 7.81 103 L 8.20 3.94 0.00 1.73 1.51 0.84 1.19 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 0.00 104 H 8.00 3.99 0.00 3.31 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.86 4.28 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 0.00 106 L 7.51 4.62 0.00 1.67 1.54 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.02 4.03 0.00 1.33 1.67 0.00 2.70 0.00 0.00 2.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.00 108 Y 9.29 4.16 0.00 3.09 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 0.00 109 A 7.29 4.87 1.26 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 0.00 0.00 110 D 8.93 4.51 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 0.00 111 S 7.13 4.93 0.00 3.94 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 0.00 112 V 7.80 4.65 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 0.93 0.00 0.00 113 S 8.78 5.25 0.00 3.94 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 0.00 114 M 8.77 4.74 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 115 T 8.61 5.19 4.26 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 1.32 0.00 0.00 116 L 8.79 5.05 0.00 1.55 1.50 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.59 5.18 0.00 3.64 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 0.00 118 W 8.70 5.23 0.00 3.32 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 0.00 119 Q 7.63 4.58 0.00 1.68 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 5.94 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 120 R 7.91 4.00 0.00 1.55 1.75 0.00 3.08 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00