NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.3834 8.4293 116.1409 54.9847 30.3727 173.2640 2 C 4.3147 7.8620 113.8551 57.6093 30.4519 172.6904 3 D 4.8048 8.4820 119.4691 54.6423 38.5421 176.3447 4 L 4.0858 7.9855 122.0444 57.4865 42.2435 175.8634 5 P 4.4926 0.0000 0.0000 62.7685 31.8721 175.7802 6 C 4.2001 8.6012 115.2442 58.2577 30.4412 175.0510 7 G 4.0641 8.2679 107.3676 45.2485 0.0000 173.3819 8 V 4.0342 7.1623 119.5505 60.4504 32.0227 175.5291 9 F 4.7429 8.3549 122.6128 55.6946 42.9965 174.0562 10 D 3.8408 8.0814 121.8840 51.5014 43.7399 174.2358 11 P 4.1801 0.0000 0.0000 64.3022 31.2268 178.0205 12 A 4.0328 8.5310 120.8334 54.8279 18.0575 179.8312 13 Q 3.7595 8.0039 116.8158 58.9748 28.7757 178.4585 14 A 4.0531 7.8370 121.2479 55.1596 18.4774 179.2810 15 R 3.8456 8.2348 117.4388 59.9140 30.1683 178.8090 16 I 3.9582 7.9574 119.5322 64.4041 37.0606 178.3800 17 E 3.9759 8.0589 119.4786 59.3829 29.3413 179.2715 18 A 4.0935 8.2699 120.8078 54.9837 18.4219 179.5578 19 E 3.9903 8.8533 117.7591 59.6101 29.4469 179.6888 20 S 4.1604 8.0382 115.4480 61.2758 62.8655 176.6721 21 V 3.5641 7.8566 121.0414 66.0516 31.2129 178.0004 22 K 4.1458 8.1587 118.9507 59.5533 31.9803 178.5845 23 A 4.1686 8.1416 121.1006 55.0520 18.1862 179.8577 24 V 3.5522 8.0053 116.9056 66.0996 31.4988 178.1028 25 Q 4.0023 8.1267 117.8073 59.1668 28.3976 178.7270 26 E 4.0172 8.1279 118.0102 59.7370 29.8749 179.5440 27 K 4.2066 8.3327 118.1993 59.7244 31.8711 179.3943 28 M 4.4130 8.2462 118.2453 58.1626 31.8983 178.3078 29 A 4.2576 7.8759 120.4865 54.1693 18.6060 178.3076 30 G 3.7359 7.7906 104.6413 46.0356 0.0000 173.7534 31 N 4.5465 7.6886 118.2831 52.5813 39.5425 173.2519 32 D 4.5882 8.6096 124.3727 53.2914 40.3957 176.5050 33 D 4.3312 7.9575 120.1679 54.6725 41.8304 175.2492 34 P 4.3792 0.0000 0.0000 65.9181 31.3554 178.1567 35 H 4.1670 8.2242 116.5248 59.2072 29.8845 176.7700 36 F 3.9889 8.5646 122.4648 61.5584 39.1347 176.9340 37 Q 3.9337 8.7381 117.8584 59.3924 28.4213 179.2598 38 T 3.8059 8.1697 116.8820 66.7495 68.5265 177.1115 39 R 3.7700 8.0123 119.8298 58.8964 29.9846 179.0103 40 A 3.7405 7.7482 120.9936 55.1031 18.2501 179.7831 41 T 3.6879 7.9544 114.4241 66.7572 68.6164 176.5406 42 V 3.5340 7.7962 120.2230 66.4803 31.3873 178.1343 43 I 3.6619 7.7401 118.9267 64.2226 36.9620 178.3540 44 K 3.8675 8.4328 120.8967 59.4834 32.0959 178.3629 45 E 3.9151 8.3178 119.6022 59.2934 29.5494 178.9476 46 Q 3.9515 7.9101 117.5174 59.1205 28.7798 178.8741 47 R 3.9288 8.1730 118.9465 59.0933 30.0297 178.9876 48 A 3.9668 8.1552 120.6550 55.1826 18.4189 179.2425 49 E 3.8675 8.0797 117.4865 59.4635 29.6130 179.1133 50 L 3.9527 8.1303 118.8301 57.5519 41.6147 179.2002 51 A 4.0571 8.2992 121.0328 55.1585 18.3134 179.7764 52 K 3.8805 8.2457 117.0237 59.8338 32.0636 178.9725 53 H 4.1199 8.2992 118.3670 59.6312 29.7884 176.9821 54 H 4.2124 8.2639 118.0227 58.8827 28.6318 177.9922 55 V 3.6380 8.0326 120.0835 66.0683 31.3069 177.9386 56 S 4.3108 8.5824 113.3403 61.4606 62.1406 176.2266 57 V 3.6824 8.2160 121.2877 66.0686 31.2023 177.8386 58 L 3.8951 8.0945 118.6942 57.6418 41.2582 179.4563 59 W 4.7345 8.2470 127.0810 60.6403 30.8262 177.7701 60 S 4.0547 8.4699 113.0740 60.5710 62.9666 175.2216 61 D 4.7117 8.4134 120.8693 54.6919 41.6867 176.7189 62 Y 3.5784 7.2976 118.3964 58.8246 39.5987 175.7023 63 F 4.0789 7.9448 118.2104 57.4594 39.5971 174.9057 64 K 4.5961 8.0686 122.8652 53.2709 35.5681 175.1547 65 P 4.5323 0.0000 0.0000 65.7254 31.0163 177.2640 66 P 4.2541 0.0000 0.0000 65.7188 31.1383 178.3413 67 H 4.3537 7.8307 115.2109 58.9211 28.1946 177.8964 68 F 4.3993 7.5136 119.0919 60.1752 38.5362 177.3501 69 E 3.9976 8.1240 118.5929 59.2407 29.6087 178.4589 70 K 4.0617 7.9466 118.2871 57.9717 33.5168 176.1571 71 Y 4.7178 8.0479 117.8306 55.0500 37.7933 174.2307 72 P 4.6247 0.0000 0.0000 63.7287 32.0961 177.0928 73 E 4.4722 8.0705 115.1424 56.3032 30.7507 177.6998 74 L 3.9139 8.2753 122.6455 58.6837 42.1191 177.9660 75 H 4.2440 8.3670 115.7623 59.3887 28.7108 177.2959 76 Q 3.8391 8.0288 120.3856 58.7951 28.9044 177.4784 77 L 3.8486 8.2859 121.9562 58.2643 42.0278 179.2368 78 V 3.3863 7.9397 118.2401 65.8482 31.3821 177.2798 79 N 3.9223 7.7197 116.6901 56.8600 38.7474 176.4896 80 D 4.0454 8.2502 120.3751 57.3650 40.6889 178.7458 81 T 3.4969 7.6739 116.5700 66.6044 68.4867 176.5258 82 L 3.9006 7.8101 120.6669 57.7338 41.6562 179.6957 83 K 3.8700 8.0313 118.2131 59.3931 31.8859 179.1884 84 A 4.0616 8.3138 121.3260 55.2127 18.2294 179.6808 85 L 3.9740 8.2292 117.7952 58.0798 41.6714 180.0092 86 S 4.0956 8.2125 114.9850 61.3094 62.5249 176.4757 87 A 3.9720 8.3461 122.9191 55.1112 18.4117 179.2409 88 A 4.3064 8.3561 121.0096 54.5398 18.2315 179.4799 89 K 3.8970 8.1051 117.5480 59.7648 32.3269 178.4269 90 G 3.8833 7.7537 101.8759 44.4370 0.0000 173.0159 91 S 4.7586 7.4691 114.5275 56.3791 65.4030 173.8451 92 K 4.2754 8.4832 123.1308 56.4667 32.7919 176.2394 93 D 4.5585 8.1601 121.2141 52.7283 41.3606 175.1408 94 P 5.1438 0.0000 0.0000 65.2265 31.1804 178.1655 95 A 4.2220 8.7907 121.5942 55.0132 18.0779 179.6760 96 T 3.9834 8.0979 109.0076 64.8845 68.8705 177.1483 97 G 3.6065 8.0877 108.2494 47.5806 0.0000 175.2154 98 Q 4.0363 8.5852 122.6027 58.6804 28.9911 178.3828 99 K 3.8679 8.1710 120.5318 59.4158 32.1926 178.7179 100 A 4.2108 8.0612 120.9572 55.2010 18.2980 179.5303 101 L 3.9650 8.4516 117.9806 57.9756 41.6691 179.5178 102 D 4.3215 8.3669 119.1811 57.5572 40.7851 178.4201 103 Y 4.1926 8.0217 117.0955 61.3174 37.9286 178.6624 104 I 3.7756 8.2265 120.6756 64.4764 37.1764 178.3125 105 A 4.1616 8.2570 121.5423 55.2127 18.2874 179.7655 106 Q 3.9989 8.0849 116.5444 59.1724 28.8361 178.9009 107 I 3.7645 7.9737 120.8574 64.4788 37.1071 177.9648 108 D 4.4475 8.7482 119.2315 57.1051 41.0594 177.9964 109 K 4.0281 8.3150 120.1710 59.8305 32.2140 178.7132 110 I 3.5176 7.6710 119.5125 64.1683 36.7350 177.9383 111 F 4.0219 8.5906 120.5593 61.4789 39.3253 177.1544 112 W 4.2637 8.5275 118.1491 59.3807 28.9147 178.3978 113 E 4.0971 8.4065 119.3192 59.7358 28.7603 179.3425 114 T 4.2426 7.7244 107.9145 64.0220 69.0185 176.3338 115 K 4.0739 7.3411 120.5297 58.4372 32.2362 178.6511 116 K 4.2492 7.8567 117.5098 56.6774 32.2245 176.6919 117 A 4.1194 7.8471 125.6800 52.9967 19.1082 175.9342 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 H 8.43 4.38 0.00 3.14 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.86 4.31 0.00 3.16 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 3 D 8.48 4.80 0.00 2.88 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 4 L 7.99 4.09 0.00 1.57 1.79 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.49 0.00 2.29 2.11 0.00 3.82 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 2.01 1.98 0.00 6 C 8.60 4.20 0.00 3.01 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 7 G 8.27 4.06 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 0.00 8 V 7.16 4.03 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 0.66 0.00 0.00 0.81 0.00 0.00 9 F 8.35 4.74 0.00 2.82 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 10 D 8.08 3.84 0.00 2.63 2.42 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 11 P 0.00 4.18 0.00 2.27 1.94 0.00 2.98 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.34 0.00 12 A 8.53 4.03 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 13 Q 8.00 3.76 0.00 1.84 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 14 A 7.84 4.05 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 15 R 8.23 3.85 0.00 1.97 2.09 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 16 I 7.96 3.96 1.86 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 1.52 0.55 0.91 0.00 0.00 17 E 8.06 3.98 0.00 2.11 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 2.55 2.57 0.00 18 A 8.27 4.09 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 19 E 8.85 3.99 0.00 2.16 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 2.34 2.49 0.00 20 S 8.04 4.16 0.00 4.09 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 21 V 7.86 3.56 2.28 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 1.00 0.00 0.00 1.00 0.00 0.00 22 K 8.16 4.15 0.00 1.89 1.80 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.65 7.81 23 A 8.14 4.17 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 24 V 8.01 3.55 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 1.09 0.00 0.00 0.93 0.00 0.00 25 Q 8.13 4.00 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 26 E 8.13 4.02 0.00 2.13 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 2.37 2.39 0.00 27 K 8.33 4.21 0.00 2.11 2.20 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.55 7.81 28 M 8.25 4.41 0.00 2.05 2.34 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.56 0.00 29 A 7.88 4.26 1.36 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 0.00 0.00 0.00 30 G 7.79 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.69 4.55 0.00 2.27 2.14 0.00 0.00 7.05 8.47 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 32 D 8.61 4.59 0.00 2.84 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 33 D 7.96 4.33 0.00 2.86 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 34 P 0.00 4.38 0.00 2.24 2.12 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 35 H 8.22 4.17 0.00 3.25 3.59 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.56 3.99 0.00 3.17 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 37 Q 8.74 3.93 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 38 T 8.17 3.81 4.34 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 1.17 0.00 0.00 39 R 8.01 3.77 0.00 1.68 1.79 0.00 2.98 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 40 A 7.75 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.95 3.69 4.34 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 1.18 0.00 0.00 42 V 7.80 3.53 2.17 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 0.99 0.00 0.00 0.91 0.00 0.00 43 I 7.74 3.66 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.35 0.88 0.00 0.00 44 K 8.43 3.87 0.00 1.82 1.94 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.32 3.92 0.00 2.25 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 2.29 2.38 0.00 46 Q 7.91 3.95 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 47 R 8.17 3.93 0.00 1.82 2.19 0.00 3.29 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 48 A 8.16 3.97 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.08 3.87 0.00 2.18 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 0.00 2.29 2.39 0.00 50 L 8.13 3.95 0.00 1.93 1.68 1.01 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.30 4.06 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 52 K 8.25 3.88 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.58 7.81 53 H 8.30 4.12 0.00 3.24 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.26 4.21 0.00 3.37 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.03 3.64 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 1.01 0.00 0.00 1.01 0.00 0.00 56 S 8.58 4.31 0.00 4.01 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 57 V 8.22 3.68 2.33 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 1.39 0.00 0.00 0.86 0.00 0.00 58 L 8.09 3.90 0.00 2.07 1.68 0.85 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.25 4.73 0.00 3.46 3.63 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 60 S 8.47 4.05 0.00 3.98 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 61 D 8.41 4.71 0.00 3.08 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 62 Y 7.30 3.58 0.00 1.43 2.30 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 63 F 7.94 4.08 0.00 3.23 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 0.00 0.00 0.00 64 K 8.07 4.60 0.00 1.40 1.51 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.10 7.81 65 P 0.00 4.53 0.00 2.15 2.18 0.00 3.54 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 2.13 2.28 0.00 66 P 0.00 4.25 0.00 1.95 2.01 0.00 3.29 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 67 H 7.83 4.35 0.00 2.82 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.51 4.40 0.00 3.24 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 69 E 8.12 4.00 0.00 2.01 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 0.00 2.31 2.32 0.00 70 K 7.95 4.06 0.00 1.86 1.63 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.76 1.24 7.81 71 Y 8.05 4.72 0.00 3.10 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 72 P 0.00 4.62 0.00 2.07 2.14 0.00 3.75 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 73 E 8.07 4.47 0.00 2.15 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 0.00 2.36 2.29 0.00 74 L 8.28 3.91 0.00 1.88 1.96 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.37 4.24 0.00 3.22 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.03 3.84 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 77 L 8.29 3.85 0.00 1.84 1.87 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.94 3.39 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 1.02 0.00 0.00 79 N 7.72 3.92 0.00 2.47 2.70 0.00 0.00 7.29 8.08 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 80 D 8.25 4.05 0.00 2.29 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 0.00 0.00 0.00 81 T 7.67 3.50 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 1.23 0.00 0.00 82 L 7.81 3.90 0.00 1.67 1.62 0.75 0.74 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 83 K 8.03 3.87 0.00 1.78 1.78 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.35 7.81 84 A 8.31 4.06 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 85 L 8.23 3.97 0.00 1.82 1.73 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.21 4.10 0.00 4.00 3.88 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 0.00 0.00 0.00 87 A 8.35 3.97 1.36 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 0.00 0.00 0.00 88 A 8.36 4.31 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 89 K 8.11 3.90 0.00 1.98 2.02 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.77 1.47 7.81 90 G 7.75 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.47 4.76 0.00 3.79 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 92 K 8.48 4.28 0.00 1.79 1.84 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.41 7.81 93 D 8.16 4.56 0.00 2.70 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 94 P 0.00 5.14 0.00 2.31 2.31 0.00 3.93 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 95 A 8.79 4.22 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 96 T 8.10 3.98 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 1.22 0.00 0.00 97 G 8.09 3.61 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 0.00 0.00 0.00 98 Q 8.59 4.04 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 99 K 8.17 3.87 0.00 1.99 1.99 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.38 7.81 100 A 8.06 4.21 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 0.00 101 L 8.45 3.96 0.00 1.85 1.75 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.37 4.32 0.00 2.75 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 0.00 103 Y 8.02 4.19 0.00 3.21 2.90 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 0.00 104 I 8.23 3.78 2.07 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 1.50 0.71 0.95 0.00 0.00 105 A 8.26 4.16 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 0.00 106 Q 8.08 4.00 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 107 I 7.97 3.76 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 1.13 0.00 0.00 108 D 8.75 4.45 0.00 2.89 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 0.00 109 K 8.32 4.03 0.00 2.04 2.06 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.59 7.81 110 I 7.67 3.52 1.85 0.00 0.00 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 0.95 0.46 0.06 0.00 0.00 111 F 8.59 4.02 0.00 2.94 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 0.00 112 W 8.53 4.26 0.00 3.55 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 0.00 113 E 8.41 4.10 0.00 2.30 2.18 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 2.45 2.54 0.00 114 T 7.72 4.24 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 1.28 0.00 0.00 115 K 7.34 4.07 0.00 1.92 2.00 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.55 0.47 7.81 116 K 7.86 4.25 0.00 1.98 1.91 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.76 7.81 117 A 7.85 4.12 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