NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7552 8.4293 116.2068 55.1862 30.3340 173.2934 2 C 4.0651 7.6680 114.1422 57.0141 30.2125 172.2448 3 D 4.5972 8.3715 118.7297 54.9704 40.1517 175.3915 4 L 4.0618 8.0387 120.6372 57.0718 42.2192 175.7058 5 P 4.5911 0.0000 0.0000 62.1564 32.4557 175.2556 6 C 4.2735 8.4460 112.9218 57.9780 30.5311 175.0072 7 G 3.9658 8.3152 107.8307 45.1737 0.0000 172.9198 8 V 4.2680 7.0856 119.2508 61.1362 32.7006 174.2726 9 Y 4.6346 8.0061 123.5482 56.6322 42.0500 174.5712 10 D 3.5298 7.8472 117.7564 51.7435 43.4145 174.6609 11 P 4.0944 0.0000 0.0000 64.5718 31.2007 178.0869 12 A 4.0435 8.5596 120.6420 54.9604 17.6360 179.6730 13 Q 3.7860 8.0615 116.7381 59.0251 28.6419 178.7756 14 A 4.0742 7.7726 121.3067 54.9889 18.5412 179.4166 15 R 3.8198 8.0448 117.2073 59.7751 30.3253 178.7102 16 I 3.9167 7.8911 119.5802 64.6072 37.1229 178.3354 17 E 4.0068 7.9818 118.1207 59.3397 29.2860 179.2739 18 A 4.0666 8.2918 121.0936 55.0883 18.3142 179.5602 19 E 3.9656 8.7380 117.6679 59.6318 29.4037 179.7390 20 S 4.1144 8.0146 114.9002 61.3300 62.8628 176.7020 21 V 3.5580 7.7115 120.9132 65.9788 31.2008 178.0317 22 K 4.0968 8.0555 118.9688 59.5653 32.0708 178.5749 23 A 4.0213 8.2663 121.2094 55.2258 18.1942 179.7486 24 I 3.7364 8.0922 118.6205 64.6100 37.0125 178.6424 25 Q 4.0150 8.0779 118.9690 58.8871 28.3698 178.6279 26 E 4.0226 8.5523 119.9612 59.5635 29.5509 179.6739 27 K 4.0808 8.1500 118.3771 59.7268 31.9008 179.3146 28 M 4.4248 8.2996 117.9673 58.2103 31.8571 178.2456 29 A 4.1837 7.7892 120.2513 54.3005 18.7466 178.5681 30 A 4.5406 7.7764 116.9997 51.7342 19.2622 176.7778 31 N 4.6336 7.6287 115.4174 52.1411 40.8794 172.9756 32 D 4.8698 8.6306 124.4533 53.0897 40.1491 176.5414 33 D 4.4379 8.4555 120.1411 54.5656 42.7779 176.4747 34 L 3.9196 8.5921 128.1999 58.9584 42.2457 179.1474 35 H 4.2008 8.2578 115.4146 58.6819 28.5724 177.5007 36 F 4.1875 8.5953 122.7411 61.3170 39.2321 177.2735 37 Q 3.8647 8.2504 117.7957 58.8052 28.3987 178.8704 38 I 3.6392 7.7659 120.7410 64.5025 37.1248 178.6899 39 R 3.8170 7.9668 118.5983 59.1340 29.7746 178.9883 40 A 3.7220 7.8637 120.8755 55.3233 18.3046 179.8773 41 T 3.7310 7.8474 114.1899 66.6415 68.4069 177.0787 42 V 3.5538 7.8564 120.2462 66.2424 31.5997 178.2258 43 I 4.0031 7.9247 121.1086 63.5782 36.8708 178.3520 44 K 3.9413 8.3648 121.0323 59.3127 31.9766 178.4001 45 E 3.9043 8.2272 119.6828 59.4765 29.1720 178.9654 46 Q 4.0017 7.8436 118.1361 58.9884 28.8090 178.8247 47 R 4.0098 8.1632 118.9592 58.9892 29.9978 178.9827 48 A 3.9846 8.2068 120.7968 55.1351 18.4237 179.2331 49 E 3.8615 8.1762 117.8741 59.4562 29.6286 179.1024 50 L 3.9498 8.0950 118.7945 57.6581 41.6811 179.2931 51 A 4.0548 8.1830 120.7810 55.0799 18.2177 179.8287 52 K 3.9076 8.3143 117.1796 59.7715 32.0797 178.9404 53 H 4.1302 8.3181 118.4381 59.7774 29.9227 176.9523 54 H 4.2268 8.2943 117.9328 58.9400 28.4465 177.8717 55 L 4.1160 8.0391 120.7832 57.8261 41.4570 179.1284 56 D 4.5343 8.4829 119.2503 57.4674 40.7816 179.0854 57 V 3.7322 8.0911 118.7932 65.9635 31.4608 178.0509 58 L 3.9763 7.9784 118.4190 57.4982 41.2562 179.3571 59 W 4.6321 8.4993 127.4120 60.7671 30.8472 177.8608 60 S 4.0019 8.7671 113.2074 60.6533 62.8155 175.1971 61 D 4.6711 8.4436 121.0134 55.9571 41.6641 177.4543 62 Y 3.3619 7.5075 118.3162 60.0221 39.0506 175.5686 63 F 3.9935 7.8669 118.2351 57.2894 39.4707 174.9556 64 K 4.6578 8.1534 123.2314 53.2395 35.6879 175.0773 65 P 4.4151 0.0000 0.0000 65.9985 31.0108 177.1790 66 P 4.2914 0.0000 0.0000 65.6141 31.1037 178.5014 67 H 4.3395 8.1222 115.4216 58.9697 28.7495 177.8844 68 F 4.2258 7.7992 118.9056 60.0768 38.4855 177.3570 69 E 4.0756 7.9170 118.6649 59.5486 29.6176 178.8052 70 S 4.2732 8.1167 113.7795 59.9523 64.0349 174.0313 71 Y 4.6543 8.1256 119.9095 54.7094 37.9077 174.1002 72 P 4.6111 0.0000 0.0000 63.8989 31.8946 177.7971 73 E 4.3842 8.1110 116.3394 56.7955 30.7362 177.6691 74 L 3.8729 8.2390 122.6104 58.7545 42.0162 178.2552 75 H 4.3791 8.4360 115.4237 59.4933 28.7135 177.6944 76 T 3.8009 7.9269 116.7459 66.4119 68.3197 176.2025 77 L 3.7304 8.0517 122.3438 58.2421 42.0996 179.3242 78 V 3.5290 7.9733 118.2929 65.8675 31.4775 177.4387 79 N 4.0358 8.0710 116.8715 56.6907 38.6574 176.7509 80 E 3.7672 8.4012 120.1793 59.0016 29.5151 179.1238 81 A 4.0262 7.6320 120.8760 55.3683 18.4690 180.1907 82 V 3.6135 7.8421 110.9376 64.4009 31.5450 179.0393 83 K 3.9766 8.1316 118.1563 59.2829 31.8544 179.2586 84 A 4.0746 8.3550 121.4498 55.1197 18.2997 179.7215 85 L 4.0220 7.8191 117.1999 57.9709 41.4029 179.8411 86 S 4.1308 8.1020 115.0983 61.4972 62.5132 176.5920 87 A 4.0062 8.0049 122.5749 54.9266 18.3906 179.2529 88 A 4.2334 8.0119 120.8416 54.5241 18.1573 179.9742 89 K 3.9146 7.8271 116.2270 59.4883 32.2498 178.5515 90 A 4.4008 7.3657 117.2315 51.5605 18.7137 176.7431 91 S 4.6442 7.2255 111.7506 57.2714 65.6508 173.8840 92 T 4.3429 8.2984 113.2873 61.4011 69.7910 174.0564 93 D 4.4843 8.2113 124.3130 53.3421 41.5527 175.0089 94 P 4.4956 0.0000 0.0000 65.4645 31.2148 178.3139 95 A 4.0239 8.7861 120.7007 55.2529 18.0828 179.7290 96 T 3.9535 8.1473 108.6085 64.9154 68.9142 177.2008 97 G 3.6986 8.0571 109.4798 46.8843 0.0000 175.3985 98 Q 3.9577 8.1599 121.9619 58.8149 29.1655 178.1163 99 K 3.7049 8.2284 120.5669 59.3640 32.2016 178.6302 100 A 4.1481 7.7850 121.1118 55.2738 18.3559 179.6177 101 L 3.9947 7.8993 117.3734 58.0039 41.6947 179.5671 102 D 4.3355 8.2596 119.0719 57.5309 40.6568 178.4222 103 Y 4.3816 7.7390 117.0716 61.1578 37.8634 178.5014 104 I 3.7594 8.1489 120.6468 64.3655 37.1853 178.3261 105 A 4.1712 8.2418 121.6315 55.2179 18.2009 179.7801 106 Q 4.0202 8.0300 116.1836 59.1061 28.7694 178.9086 107 I 3.7186 8.0866 121.0242 64.4684 37.2024 177.8441 108 D 4.4235 8.6708 119.2725 57.3096 40.9820 178.3119 109 K 4.1558 8.2715 120.0493 59.7523 32.2506 178.9144 110 I 3.5532 7.7867 120.0526 64.0039 36.7567 178.1301 111 F 4.0166 8.6844 121.9954 61.3014 39.2760 177.4047 112 W 4.1369 8.3750 118.1398 59.4458 28.8702 178.5045 113 E 4.1338 8.1123 118.9892 59.5177 28.7443 179.1885 114 T 4.0917 7.7094 108.3796 63.8325 68.8953 176.6819 115 K 4.0187 7.1747 121.3670 59.2493 32.4176 178.7691 116 K 4.1135 7.9595 117.0078 59.3865 32.0863 176.9108 117 A 4.1925 7.8066 125.0032 52.3981 18.3015 176.9109 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 4.76 0.00 3.28 3.32 0.00 5.48 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.67 4.07 0.00 3.10 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 3 D 8.37 4.60 0.00 2.88 2.85 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 0.00 0.00 0.00 0.00 4 L 8.04 4.06 0.00 1.60 1.74 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.59 0.00 2.32 2.12 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 2.00 1.99 0.00 6 C 8.45 4.27 0.00 3.00 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 7 G 8.32 3.97 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 0.00 8 V 7.09 4.27 1.99 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 0.84 0.00 0.00 0.90 0.00 0.00 9 Y 8.01 4.63 0.00 2.71 2.37 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 10 D 7.85 3.53 0.00 2.50 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 0.00 0.00 0.00 0.00 11 P 0.00 4.09 0.00 2.23 1.91 0.00 2.72 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 1.34 1.29 0.00 12 A 8.56 4.04 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 13 Q 8.06 3.79 0.00 1.80 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 14 A 7.77 4.07 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 15 R 8.04 3.82 0.00 1.91 2.08 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 1.74 1.69 0.00 16 I 7.89 3.92 1.87 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 1.52 0.99 0.92 0.00 0.00 17 E 7.98 4.01 0.00 2.21 2.22 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 2.58 2.54 0.00 18 A 8.29 4.07 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 8.74 3.97 0.00 2.17 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 2.54 0.00 20 S 8.01 4.11 0.00 4.08 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 7.71 3.56 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 1.00 0.00 0.00 0.94 0.00 0.00 22 K 8.06 4.10 0.00 1.89 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 23 A 8.27 4.02 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 24 I 8.09 3.74 2.06 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 1.52 0.68 0.91 0.00 0.00 25 Q 8.08 4.01 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 26 E 8.55 4.02 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 2.59 2.52 0.00 27 K 8.15 4.08 0.00 2.18 2.17 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.68 7.81 28 M 8.30 4.42 0.00 2.04 2.33 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 2.89 2.50 0.00 29 A 7.79 4.18 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 30 A 7.78 4.54 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 31 N 7.63 4.63 0.00 2.22 2.12 0.00 0.00 6.97 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 8.63 4.87 0.00 2.83 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 33 D 8.46 4.44 0.00 2.84 2.78 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 34 L 8.59 3.92 0.00 1.78 1.61 0.88 0.99 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 35 H 8.26 4.20 0.00 3.47 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.60 4.19 0.00 3.19 3.27 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 37 Q 8.25 3.86 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 38 I 7.77 3.64 1.97 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 1.48 0.69 0.89 0.00 0.00 39 R 7.97 3.82 0.00 1.71 1.89 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 40 A 7.86 3.72 0.83 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 0.00 0.00 41 T 7.85 3.73 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 1.18 0.00 0.00 42 V 7.86 3.55 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 1.01 0.00 0.00 0.92 0.00 0.00 43 I 7.92 4.00 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.89 0.00 0.00 44 K 8.36 3.94 0.00 1.80 1.97 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 E 8.23 3.90 0.00 2.30 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 0.00 2.29 2.39 0.00 46 Q 7.84 4.00 0.00 2.20 2.12 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 2.61 0.00 47 R 8.16 4.01 0.00 1.84 2.09 0.00 3.32 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 48 A 8.21 3.98 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 8.18 3.86 0.00 2.22 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 8.09 3.95 0.00 1.92 1.67 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.18 4.05 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 52 K 8.31 3.91 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.66 7.81 53 H 8.32 4.13 0.00 3.23 3.43 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 8.29 4.23 0.00 3.37 3.29 0.00 5.67 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 55 L 8.04 4.12 0.00 1.89 1.77 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.48 4.53 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 57 V 8.09 3.73 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 1.09 0.00 0.00 0.92 0.00 0.00 58 L 7.98 3.98 0.00 2.14 1.82 0.82 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.50 4.63 0.00 3.48 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 60 S 8.77 4.00 0.00 4.04 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 0.00 61 D 8.44 4.67 0.00 2.98 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 62 Y 7.51 3.36 0.00 1.43 2.47 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 63 F 7.87 3.99 0.00 2.94 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 0.00 0.00 0.00 0.00 64 K 8.15 4.66 0.00 1.49 1.56 0.00 1.49 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.31 7.81 65 P 0.00 4.42 0.00 2.15 2.17 0.00 3.56 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 2.12 2.25 0.00 66 P 0.00 4.29 0.00 1.99 2.03 0.00 3.42 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 67 H 8.12 4.34 0.00 2.97 3.15 0.00 5.64 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 68 F 7.80 4.23 0.00 3.10 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 69 E 7.92 4.08 0.00 2.18 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 2.32 2.36 0.00 70 S 8.12 4.27 0.00 3.89 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 71 Y 8.13 4.65 0.00 2.92 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 72 P 0.00 4.61 0.00 2.22 2.22 0.00 3.36 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 73 E 8.11 4.38 0.00 2.18 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 2.37 2.29 0.00 74 L 8.24 3.87 0.00 1.82 1.88 0.49 -0.54 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 75 H 8.44 4.38 0.00 3.27 3.36 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 T 7.93 3.80 4.37 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 1.21 0.00 0.00 77 L 8.05 3.73 0.00 1.81 1.88 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.97 3.53 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 0.91 0.00 0.00 1.14 0.00 0.00 79 N 8.07 4.04 0.00 2.71 2.75 0.00 0.00 7.24 7.26 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 80 E 8.40 3.77 0.00 1.49 1.12 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 2.15 2.24 0.00 81 A 7.63 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 82 V 7.84 3.61 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 0.80 0.00 0.00 0.88 0.00 0.00 83 K 8.13 3.98 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.49 7.81 84 A 8.36 4.07 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.02 0.00 1.93 1.74 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.10 4.13 0.00 4.04 3.90 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 87 A 8.00 4.01 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 8.01 4.23 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 89 K 7.83 3.91 0.00 1.99 2.01 0.00 1.69 0.00 0.00 1.97 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 90 A 7.37 4.40 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 91 S 7.23 4.64 0.00 3.78 3.83 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 92 T 8.30 4.34 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 1.21 0.00 0.00 93 D 8.21 4.48 0.00 2.70 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 94 P 0.00 4.50 0.00 2.20 2.23 0.00 3.66 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 95 A 8.79 4.02 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 96 T 8.15 3.95 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 1.22 0.00 0.00 97 G 8.06 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.16 3.96 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 99 K 8.23 3.70 0.00 1.92 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.20 7.81 100 A 7.79 4.15 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 0.00 101 L 7.90 3.99 0.00 1.93 1.73 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.26 4.34 0.00 2.55 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 0.00 103 Y 7.74 4.38 0.00 3.22 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 8.15 3.76 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 1.51 0.75 0.94 0.00 0.00 105 A 8.24 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 0.00 106 Q 8.03 4.02 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 107 I 8.09 3.72 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 1.08 0.00 0.00 108 D 8.67 4.42 0.00 2.91 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 0.00 109 K 8.27 4.16 0.00 2.12 2.04 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.78 7.81 110 I 7.79 3.55 1.85 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 1.03 0.42 -0.16 0.00 0.00 111 F 8.68 4.02 0.00 3.05 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 0.00 112 W 8.38 4.14 0.00 3.56 3.27 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 0.00 113 E 8.11 4.13 0.00 2.29 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 2.58 0.00 114 T 7.71 4.09 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 1.30 0.00 0.00 115 K 7.17 4.02 0.00 1.85 1.86 0.00 1.38 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.43 0.48 7.81 116 K 7.96 4.11 0.00 1.81 1.94 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.58 1.85 7.81 117 A 7.81 4.19 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