NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3297 8.3344 115.4123 57.5227 64.2925 172.9187 3 D 4.1300 8.6382 121.6029 52.6322 40.9490 174.0799 4 P 4.4754 0.0000 0.0000 64.5810 33.0629 176.1108 5 I 3.9276 7.6024 120.8822 61.0958 37.8594 175.8617 6 V 3.8574 8.8320 127.7506 62.6480 32.5304 174.7374 7 H 4.9222 8.7149 126.5456 54.3768 28.2633 174.2871 8 F 4.3807 8.9568 125.7639 57.8822 40.3291 174.5989 9 N 4.6250 7.5756 121.9373 51.2998 41.7295 174.5517 10 G 3.6836 7.5712 111.6065 45.0970 0.0000 171.7231 11 T 4.4417 7.6764 110.6132 60.7500 71.3739 174.7904 12 H 4.1549 8.7827 119.6613 59.6388 29.6773 176.4926 13 E 3.8679 8.3034 120.2042 59.1735 29.4930 178.2961 14 A 4.0631 8.1508 120.8940 55.0860 18.4196 179.3389 15 L 3.1500 8.2726 118.8481 58.0734 42.1255 179.1209 16 L 3.9277 7.9606 119.0244 58.0202 41.6205 179.3717 17 N 4.3552 8.4417 116.5926 56.2184 38.2132 177.4918 18 R 3.9076 7.9635 119.3386 59.3978 30.4845 178.2199 19 I 3.7726 7.7911 119.6693 64.4777 36.9383 178.5570 20 K 4.1239 7.8773 117.3629 58.8363 31.9179 178.8675 21 E 4.0813 7.8841 117.8148 57.5099 29.7965 177.2935 22 A 4.1625 7.1770 122.4642 51.3829 18.9318 175.9881 23 P 4.5473 0.0000 0.0000 64.9442 32.8485 176.9482 24 G 3.8195 7.4001 111.0542 43.8165 0.0000 172.5030 25 L 4.3863 8.6680 126.0458 55.3501 43.3984 176.3682 26 V 4.6968 8.8726 124.1336 59.7417 35.2304 173.8397 27 L 4.4494 8.2225 125.5261 53.2186 44.2101 174.8504 28 V 4.4160 8.4246 127.1005 61.2037 33.6307 173.7819 29 D 5.0959 9.0092 128.5074 52.5556 43.0759 174.5599 30 F 5.2124 9.3160 126.8358 56.8331 40.3106 175.2863 31 F 5.3151 8.9912 117.6760 55.3669 41.9035 173.0338 32 A 4.6239 8.0427 120.0071 49.9072 21.6009 177.5765 33 T 4.0134 8.4255 110.3440 63.7331 69.2189 175.4787 34 W 4.5596 7.2663 117.1563 57.0303 29.1223 176.9840 35 C 4.7419 7.4114 121.2429 55.6128 45.1764 173.5293 36 G 3.6533 8.8247 115.3113 47.7205 0.0000 173.3021 37 P 4.2873 0.0000 0.0000 65.3055 31.2660 179.3332 38 C 4.2666 8.1527 114.6284 60.1680 35.2454 176.0307 39 Q 3.9056 8.2948 119.6966 59.0864 27.4643 179.2026 40 R 3.9267 8.1835 119.1471 59.0071 30.0988 178.8184 41 L 4.2261 8.2755 120.6208 58.1638 41.8984 179.3153 42 G 3.5250 8.1137 104.7363 47.7057 0.0000 175.3021 43 Q 4.1278 7.7500 119.6914 57.7534 29.0367 177.4244 44 I 4.2094 7.1055 113.2668 61.3005 38.6234 177.4266 45 L 3.7805 7.7076 122.9446 57.8619 41.7618 176.9686 46 P 4.1233 0.0000 0.0000 65.5722 31.1971 178.4636 47 S 3.9979 7.8639 111.3677 61.4118 62.1581 176.1306 48 I 3.6386 7.2167 120.7737 64.2270 36.9950 177.9828 49 A 3.2378 7.8231 121.9858 54.7752 17.8725 179.3169 50 E 3.8493 8.0330 116.7946 59.0938 29.8188 178.2510 51 A 4.3563 7.6191 118.1055 52.6904 20.4542 177.1496 52 N 5.0913 7.7301 114.1541 51.5331 39.0609 175.5088 53 K 4.2362 8.0194 118.1948 58.6548 32.9465 178.4891 54 D 4.5323 8.1670 117.0074 54.5611 39.8009 175.9559 55 V 4.5489 7.6311 120.3264 61.4692 33.8567 174.7760 56 T 4.5226 8.5236 124.1911 62.2409 70.3824 173.5683 57 F 4.8507 8.9365 125.6586 55.9841 41.2499 174.7364 58 I 4.7888 8.8644 125.9144 59.4500 39.6144 174.8257 59 K 4.9015 9.0460 127.6607 54.7730 34.4772 175.8572 60 V 4.6105 8.8393 124.9204 60.7800 34.1059 173.9206 61 D 3.5983 8.4971 129.0500 53.8663 41.1304 177.2526 62 V 3.7008 8.5010 120.7389 64.2677 32.1331 178.7195 63 D 4.4084 8.4017 120.5694 56.4955 40.8151 177.4880 64 K 4.2922 8.0331 116.0753 57.5843 34.2132 176.1171 65 N 5.1613 8.2124 117.2405 51.8085 39.2715 175.8137 66 G 3.6897 8.1139 108.2942 47.8926 0.0000 173.9573 67 N 4.3580 8.2145 118.4179 55.8574 38.6308 177.1116 68 A 4.1269 8.1465 121.3731 55.2383 18.5908 179.3706 69 A 3.8172 8.1742 119.1439 55.5013 18.4764 179.6358 70 D 4.2597 8.4987 117.5892 57.4944 40.6711 178.9305 71 A 3.9771 8.0650 120.3737 54.7493 18.4690 178.3472 72 Y 3.9652 7.8700 116.3299 58.3032 38.9289 176.1357 73 G 3.8175 7.5516 106.7658 46.1580 0.0000 173.5056 74 V 3.8651 7.5079 119.3497 61.9949 31.6026 174.1842 75 S 4.5385 7.8505 118.2500 59.4645 65.4966 174.4748 76 S 4.4546 8.0530 117.9240 57.4853 64.0129 173.5720 77 I 4.8528 7.8209 115.0427 58.0235 40.7205 173.1326 78 P 4.7019 0.0000 0.0000 62.8905 32.7754 174.7940 79 A 4.7817 9.0795 124.9514 50.3890 21.1703 175.3025 80 L 4.8962 8.2631 123.2835 53.2478 44.4261 176.0502 81 F 5.1543 8.6715 120.9146 55.9092 43.2081 173.6383 82 F 5.0101 9.4784 123.7731 56.5103 40.2496 175.5858 83 V 5.0726 8.8842 116.6136 59.7681 36.5475 174.4998 84 K 4.7584 8.7727 121.9459 54.7098 35.9391 175.0327 85 K 4.3864 8.7017 128.5720 56.6659 33.0871 175.9158 86 E 4.4301 9.7060 128.6829 54.7944 31.8511 176.1585 87 G 3.9613 8.1620 118.9086 47.0837 0.0000 172.2911 88 N 4.8353 8.9287 120.9518 52.0574 37.3697 173.9041 89 E 4.7370 8.2640 118.0921 55.0062 33.1376 174.3991 90 I 4.8880 8.1002 121.0127 59.7716 38.9183 175.1015 91 K 4.4057 9.0305 129.4242 55.4792 33.8214 175.1423 92 T 4.7925 8.4725 124.2266 62.7936 68.9807 174.4576 93 L 4.3097 9.1587 127.2607 56.6920 42.9058 176.5075 94 D 5.0501 8.0759 115.8059 53.5887 44.7411 174.1126 95 Q 5.0077 8.5784 119.9773 55.2511 31.5123 173.1959 96 F 4.7744 7.9265 114.8799 56.4159 41.7668 172.4585 97 V 4.6939 8.4139 119.5514 61.8774 33.1945 174.7577 98 G 4.1716 8.7878 114.5661 44.3440 0.0000 174.0391 99 A 4.4210 8.2784 123.9573 51.2879 17.7667 180.4943 100 D 4.6366 7.7044 123.0163 52.5875 40.1265 175.4095 101 V 3.6876 7.9229 124.0317 65.6643 31.8822 177.2276 102 S 4.1014 8.0062 114.4516 61.5839 62.6649 176.4922 103 R 3.7855 8.1548 121.2102 58.9706 29.7355 178.4745 104 I 4.2129 7.9207 119.8945 64.6410 37.2387 178.4316 105 K 4.0268 8.3600 118.9702 59.4823 31.8921 179.3377 106 A 3.8896 8.1797 121.1345 55.1313 18.1980 179.4136 107 D 3.3700 8.1702 117.7597 57.1110 40.7480 179.0167 108 I 3.6883 7.4944 120.1508 64.5655 36.9309 178.4219 109 E 3.9595 7.8039 118.0438 59.0934 29.3174 179.1044 110 K 3.9744 7.5800 118.8164 59.5369 32.3586 178.7888 111 F 4.7210 7.5636 116.9692 60.0497 38.8320 175.2929 112 K 4.1566 7.9116 123.1317 56.6801 32.3440 175.2173 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 S 8.33 4.33 0.00 4.00 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 3 D 8.64 4.13 0.00 2.75 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 4 P 0.00 4.48 0.00 2.21 2.15 0.00 3.78 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 1.88 1.92 0.00 5 I 7.60 3.93 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.72 0.73 0.00 0.00 6 V 8.83 3.86 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 1.07 0.00 0.00 0.95 0.00 0.00 7 H 8.71 4.92 0.00 3.11 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.96 4.38 0.00 3.00 3.06 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 9 N 7.58 4.62 0.00 2.42 2.45 0.00 0.00 6.85 7.65 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 10 G 7.57 3.68 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 0.00 0.00 0.00 11 T 7.68 4.44 4.32 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 1.26 0.00 0.00 12 H 8.78 4.15 0.00 3.26 3.41 0.00 5.68 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 13 E 8.30 3.87 0.00 2.16 1.97 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 2.40 2.46 0.00 14 A 8.15 4.06 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 15 L 8.27 3.15 0.00 1.54 1.54 0.54 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.96 3.93 0.00 1.81 1.66 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.44 4.36 0.00 2.87 2.88 0.00 0.00 6.70 8.40 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 18 R 7.96 3.91 0.00 1.98 2.07 0.00 3.46 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 19 I 7.79 3.77 1.97 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 1.37 0.41 0.87 0.00 0.00 20 K 7.88 4.12 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 21 E 7.88 4.08 0.00 2.16 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 0.00 2.35 2.53 0.00 22 A 7.18 4.16 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 23 P 0.00 4.55 0.00 2.20 2.20 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 24 G 7.40 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 0.00 0.00 0.00 25 L 8.67 4.39 0.00 1.84 1.59 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.87 4.70 1.98 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 0.69 0.00 0.00 0.81 0.00 0.00 27 L 8.22 4.45 0.00 1.03 0.96 -0.25 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.42 4.42 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 0.02 0.00 0.00 0.68 0.00 0.00 29 D 9.01 5.10 0.00 2.68 2.44 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 30 F 9.32 5.21 0.00 3.07 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 31 F 8.99 5.32 0.00 2.98 3.22 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 32 A 8.04 4.62 0.08 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 33 T 8.43 4.01 4.33 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 1.38 0.00 0.00 34 W 7.27 4.56 0.00 3.53 3.28 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 35 C 7.41 4.74 0.00 2.05 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 36 G 8.82 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 0.00 0.00 0.00 37 P 0.00 4.29 0.00 2.19 2.16 0.00 3.65 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 2.16 2.23 0.00 38 C 8.15 4.27 0.00 3.21 3.18 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 39 Q 8.29 3.91 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 40 R 8.18 3.93 0.00 1.98 1.97 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 41 L 8.28 4.23 0.00 1.75 1.86 0.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.11 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 0.00 0.00 0.00 43 Q 7.75 4.13 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 44 I 7.11 4.21 1.84 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 1.40 0.83 0.89 0.00 0.00 45 L 7.71 3.78 0.00 1.85 1.57 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.12 0.00 2.11 2.01 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 47 S 7.86 4.00 0.00 3.83 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 48 I 7.22 3.64 1.76 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 1.45 0.75 1.02 0.00 0.00 49 A 7.82 3.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.03 3.85 0.00 2.03 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 0.00 2.30 2.30 0.00 51 A 7.62 4.36 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 52 N 7.73 5.09 0.00 3.06 2.91 0.00 0.00 6.88 8.68 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 53 K 8.02 4.24 0.00 1.78 1.91 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.61 7.81 54 D 8.17 4.53 0.00 2.82 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 55 V 7.63 4.55 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 0.30 0.00 0.00 1.01 0.00 0.00 56 T 8.52 4.52 4.16 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 0.00 0.00 0.00 1.19 0.00 0.00 57 F 8.94 4.85 0.00 2.96 2.93 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 58 I 8.86 4.79 1.64 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 1.17 0.56 0.73 0.00 0.00 59 K 9.05 4.90 0.00 1.69 1.84 0.00 1.40 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.21 1.27 7.81 60 V 8.84 4.61 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 1.04 0.00 0.00 0.36 0.00 0.00 61 D 8.50 3.60 0.00 2.41 2.38 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 62 V 8.50 3.70 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 0.84 0.00 0.00 0.86 0.00 0.00 63 D 8.40 4.41 0.00 2.85 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 64 K 8.03 4.29 0.00 1.83 1.92 0.00 1.51 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.40 7.81 65 N 8.21 5.16 0.00 2.95 2.95 0.00 0.00 6.70 7.10 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 66 G 8.11 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.21 4.36 0.00 2.88 2.93 0.00 0.00 6.98 7.16 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 68 A 8.15 4.13 1.54 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 69 A 8.17 3.82 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 70 D 8.50 4.26 0.00 2.71 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 71 A 8.06 3.98 1.15 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 72 Y 7.87 3.97 0.00 3.16 2.57 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 73 G 7.55 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 0.00 0.00 0.00 74 V 7.51 3.87 1.88 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 0.72 0.00 0.00 0.01 0.00 0.00 75 S 7.85 4.54 0.00 3.98 3.73 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 76 S 8.05 4.45 0.00 3.91 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 77 I 7.82 4.85 1.85 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.62 0.96 0.00 0.00 78 P 0.00 4.70 0.00 2.16 2.25 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 79 A 9.08 4.78 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 80 L 8.26 4.90 0.00 0.33 0.80 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.67 5.15 0.00 2.96 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 82 F 9.48 5.01 0.00 3.13 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 83 V 8.88 5.07 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 0.85 0.00 0.00 0.92 0.00 0.00 84 K 8.77 4.76 0.00 1.73 1.52 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.36 7.81 85 K 8.70 4.39 0.00 1.79 1.69 0.00 1.91 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.43 7.81 86 E 9.71 4.43 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 87 G 8.16 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 88 N 8.93 4.84 0.00 2.82 2.89 0.00 0.00 5.66 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 89 E 8.26 4.74 0.00 2.09 1.81 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 2.19 2.22 0.00 90 I 8.10 4.89 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 0.92 0.00 0.00 91 K 9.03 4.41 0.00 1.83 1.63 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.71 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.45 7.81 92 T 8.47 4.79 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 1.42 0.00 0.00 93 L 9.16 4.31 0.00 1.23 0.82 0.86 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.08 5.05 0.00 3.15 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 95 Q 8.58 5.01 0.00 1.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 96 F 7.93 4.77 0.00 3.06 3.13 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 0.00 0.00 0.00 0.00 97 V 8.41 4.69 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 0.89 0.00 0.00 0.91 0.00 0.00 98 G 8.79 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 0.00 0.00 0.00 0.00 99 A 8.28 4.42 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 0.00 100 D 7.70 4.64 0.00 2.67 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 0.00 0.00 0.00 0.00 101 V 7.92 3.69 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 1.11 0.00 0.00 1.01 0.00 0.00 102 S 8.01 4.10 0.00 3.86 3.86 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 0.00 103 R 8.15 3.79 0.00 1.91 1.41 0.00 2.57 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 104 I 7.92 4.21 2.26 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.34 1.24 0.00 0.00 105 K 8.36 4.03 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.67 7.81 106 A 8.18 3.89 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 0.00 107 D 8.17 3.37 0.00 2.18 1.54 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 0.00 108 I 7.49 3.69 2.09 0.00 0.00 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 1.80 1.38 1.06 0.00 0.00 109 E 7.80 3.96 0.00 1.99 1.95 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 2.33 2.48 0.00 110 K 7.58 3.97 0.00 1.60 1.13 0.00 1.63 0.00 0.00 1.36 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.35 7.81 111 F 7.56 4.72 0.00 3.01 2.93 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 0.00 112 K 7.91 4.16 0.00 1.71 1.65 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.45 7.81