NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3711 8.1849 120.6310 54.5356 43.3143 175.6858 3 L 4.7902 8.9909 123.2761 52.6867 44.4539 174.6769 4 F 5.1862 9.0236 119.5785 55.8071 43.0692 174.6235 5 N 4.7761 9.5790 121.5397 52.4469 38.6280 174.3501 6 K 4.5360 8.5724 125.4971 55.4538 33.5678 176.7024 7 T 4.6487 8.2608 119.0541 61.4661 71.1191 174.0999 8 K 4.3537 8.8436 128.3906 59.4452 33.3429 176.5261 9 S 5.2442 7.7926 110.7933 57.4109 65.6327 174.4701 10 V 4.6869 8.7117 114.7619 59.7382 35.2305 174.3773 11 E 5.5218 8.8511 121.8266 54.7629 32.4508 175.2856 12 F 5.2393 9.1108 116.9859 55.7343 41.9249 173.6241 13 T 4.9172 8.8080 110.1999 58.9017 71.8317 174.2829 14 F 4.6594 9.1311 121.7794 59.2231 39.5232 176.4049 15 G 3.6383 8.2368 109.0635 48.7559 0.0000 173.5949 16 N 4.4062 7.7207 116.4468 53.5854 38.1488 174.4570 17 D 4.4098 8.7147 124.7520 56.6830 42.2002 176.7614 18 T 4.8341 7.7141 113.6948 61.5360 71.1889 173.8528 19 V 4.0924 8.9037 126.8616 61.1715 33.5370 174.3706 20 V 4.5344 8.1977 127.4682 61.1847 33.4497 174.4866 21 I 4.3775 8.4054 129.6043 58.8793 38.5738 173.4980 22 P 4.8207 0.0000 0.0000 63.0637 32.7653 176.8247 23 C 4.8524 8.4744 122.0747 55.9298 45.5749 172.6994 24 F 5.2575 9.0620 124.9345 55.7304 42.2275 174.0564 25 V 3.9246 8.6646 125.7155 62.2695 31.4790 176.2675 26 T 4.3282 8.8765 118.3883 62.5702 69.4039 174.6447 27 N 5.0113 7.5844 119.6057 52.2509 37.8941 174.1398 28 M 4.1564 8.2141 118.2191 57.2439 32.7307 175.1968 29 E 4.6043 9.3273 122.9258 55.5235 31.4273 175.9949 30 A 4.3328 8.0630 122.0762 51.9816 18.8569 177.6988 31 Q 4.5466 8.5797 119.7108 55.6968 30.1078 175.2693 32 N 5.0401 7.5811 116.7773 51.9444 42.2066 175.0462 33 T 4.1733 8.6294 114.8597 64.1416 69.3666 176.4307 34 T 4.2362 7.8177 111.3785 63.6872 68.3109 174.9123 35 E 4.2134 8.1552 120.7822 57.3688 30.3642 175.9338 36 V 4.7798 7.7947 119.5266 61.3938 34.4968 173.8443 37 Y 5.1104 8.9072 125.9423 55.9479 42.6619 173.8917 38 V 5.0422 8.5807 125.2536 61.1138 35.1376 174.1002 39 K 5.1940 9.2226 126.8022 54.4865 35.5694 174.9054 40 W 5.2844 9.6444 125.4326 54.9938 31.4293 175.1977 41 K 5.2395 9.3978 124.2995 54.7192 34.9522 175.3426 42 F 4.6187 9.1912 126.1053 57.0169 42.7236 174.5736 43 K 3.1998 9.1372 127.3614 57.5062 29.4187 175.5246 44 G 3.8935 9.2789 101.1793 45.6085 0.0000 173.4988 45 R 4.5842 7.5305 113.3820 54.2507 32.4511 174.1156 46 D 5.0094 8.6191 120.2067 54.0923 40.4932 176.3309 47 I 4.1121 8.3994 118.4873 61.3227 38.6645 175.3145 48 Y 5.0900 7.6322 123.3757 56.9448 42.2257 172.9996 49 T 5.0739 8.0762 115.6367 59.7485 72.9983 172.6132 50 F 4.6930 8.8381 125.5145 56.4370 42.4858 173.3168 51 D 3.8699 7.8979 127.8379 52.6142 41.3509 177.3996 52 G 3.3228 8.2946 116.3035 48.3453 0.0000 175.0589 53 A 3.9507 7.9149 122.0090 54.6961 18.3954 178.3824 54 L 4.1986 7.8705 112.8787 54.3633 42.5496 175.8203 55 N 3.9812 7.6167 115.8049 54.6782 37.4076 173.4886 56 K 4.5511 7.5293 118.0666 54.6127 34.8693 175.1404 57 S 5.1179 8.7675 123.4370 57.9635 64.8307 173.9391 58 T 4.6400 8.1247 119.2356 62.1807 72.3887 173.4453 59 V 5.0060 8.3833 118.7942 58.6954 35.8316 173.8569 60 P 4.6421 0.0000 0.0000 62.2660 32.2327 177.4898 61 T 4.0002 8.4626 109.1993 64.0841 68.7410 174.7073 62 D 4.7131 8.1259 119.6868 53.5629 40.4403 176.0974 63 F 4.8134 8.1243 119.7753 57.2022 39.6926 177.0760 64 S 4.3304 8.2876 115.9505 60.5457 63.3754 175.0193 65 S 4.4082 8.0522 114.0793 58.5252 63.5166 174.2214 66 A 4.4480 7.8250 124.7333 52.1417 18.7106 176.9427 67 K 4.1367 8.4118 119.7787 55.8932 36.3124 174.3768 68 I 4.4121 7.5779 114.0364 58.9971 40.9201 175.2834 69 E 4.1914 8.3067 123.9011 54.6756 28.6831 176.5622 70 V 3.3493 8.0047 126.9837 65.5368 31.3301 177.4525 71 S 4.2028 8.0005 112.6255 60.5991 62.9696 175.2448 72 Q 4.3912 8.0048 120.3772 56.0436 29.0100 177.1727 73 L 4.3287 7.5158 124.1204 57.5695 41.9485 178.4491 74 L 4.1598 7.7731 116.6320 56.6536 41.8758 177.8058 75 K 4.0863 7.7041 117.0354 57.2652 32.3059 177.9785 76 G 3.8160 8.3771 108.4054 44.9450 0.0000 172.5455 77 D 4.4078 7.9027 119.9257 53.8136 40.9593 175.4992 78 A 4.8799 8.4437 128.2062 51.6251 19.9884 176.1545 79 S 4.3949 8.1894 113.8418 60.4623 63.7301 173.9240 80 L 4.1668 8.3722 125.7936 53.4854 43.6678 175.1886 81 K 4.9890 8.5297 125.4692 54.8884 35.2094 175.0267 82 M 4.9955 8.5572 120.4027 53.8435 35.3474 174.0147 83 D 4.9123 8.8512 119.9284 52.2983 40.7568 177.7137 84 K 3.8837 8.1824 119.8213 59.9807 31.8185 179.5845 85 S 4.3034 7.9367 115.1687 61.4565 62.8940 176.0797 86 D 3.9487 8.4861 121.7429 56.6592 40.8545 178.3419 87 A 3.9960 7.7708 121.7429 54.9722 18.1956 180.0941 88 V 3.9262 8.1782 116.6634 64.7243 31.5682 177.2921 89 S 4.3880 7.4269 112.0982 58.9533 63.7933 173.6483 90 H 5.0511 7.7009 117.5717 55.0220 29.1320 173.3333 91 T 4.5075 7.8429 109.2952 61.5601 70.7131 175.6261 92 G 3.9717 8.0922 108.7407 44.7009 0.0000 171.5062 93 N 5.3765 8.6058 118.6267 53.1684 39.5059 174.4955 94 Y 5.1792 9.8377 121.5193 56.6661 41.4093 174.7448 95 T 4.8774 9.1504 120.0040 62.0340 71.3251 172.3907 96 C 3.9385 8.6747 127.9521 54.6715 45.5045 171.7034 97 E 5.0770 8.7680 128.3387 54.3413 31.7960 174.6350 98 V 4.9988 9.0055 126.6706 61.4570 35.1543 174.2241 99 T 5.1803 8.9886 122.7221 61.7363 72.8011 172.4868 100 E 4.8578 9.0079 126.4025 55.8980 32.4817 177.5008 101 L 3.6018 9.0595 129.0828 56.4804 41.5152 176.5087 102 T 4.3681 8.9679 124.2525 64.9532 70.3239 175.3494 103 R 4.1723 7.7377 121.2424 55.9939 30.6442 175.4478 104 E 5.1577 8.2805 118.3143 55.2259 32.8843 174.1733 105 G 4.5496 8.6145 105.5182 45.8539 0.0000 171.8293 106 E 5.0535 8.5611 117.4913 54.9207 33.1548 174.1930 107 T 4.4444 8.2897 113.8461 60.6962 71.4574 172.1113 108 I 5.0732 8.1982 125.7493 59.5533 39.9961 175.0534 109 I 4.8193 8.9525 127.0864 59.4711 40.9387 174.0687 110 E 4.9280 9.0300 128.2425 55.1876 31.0735 174.6305 111 L 4.9297 9.4222 130.8081 54.4743 43.6136 175.3245 112 K 5.0735 9.1247 125.8225 54.7373 35.4526 174.6322 113 Y 4.0010 8.8979 128.8465 57.2425 39.3025 175.1149 114 R 4.3815 7.8227 127.4803 54.4234 33.1987 172.7795 115 V 3.3061 7.9601 121.9443 62.2247 31.5576 175.6265 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 L 8.18 4.37 0.00 1.64 1.39 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.99 4.79 0.00 1.55 1.58 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 4 F 9.02 5.19 0.00 2.87 2.99 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 5 N 9.58 4.78 0.00 2.73 2.89 0.00 0.00 7.14 7.29 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 6 K 8.57 4.54 0.00 1.84 1.77 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.55 1.66 7.81 7 T 8.26 4.65 4.35 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 1.33 0.00 0.00 8 K 8.84 4.35 0.00 1.88 1.84 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.48 7.81 9 S 7.79 5.24 0.00 4.02 3.85 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 10 V 8.71 4.69 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 0.83 0.00 0.00 0.97 0.00 0.00 11 E 8.85 5.52 0.00 1.84 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 2.20 2.30 0.00 12 F 9.11 5.24 0.00 3.30 3.04 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 13 T 8.81 4.92 4.18 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 1.19 0.00 0.00 14 F 9.13 4.66 0.00 3.15 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 15 G 8.24 3.64 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 0.00 16 N 7.72 4.41 0.00 3.02 2.84 0.00 0.00 7.04 7.72 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 17 D 8.71 4.41 0.00 2.53 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.71 4.83 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 1.15 0.00 0.00 19 V 8.90 4.09 1.65 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 0.49 0.00 0.00 0.34 0.00 0.00 20 V 8.20 4.53 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 0.82 0.00 0.00 0.84 0.00 0.00 21 I 8.41 4.38 1.07 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.02 0.91 0.00 0.00 22 P 0.00 4.82 0.00 2.45 2.33 0.00 3.87 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 2.15 2.10 0.00 23 C 8.47 4.85 0.00 3.22 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 24 F 9.06 5.26 0.00 3.03 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 25 V 8.66 3.92 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 0.49 0.00 0.00 0.34 0.00 0.00 26 T 8.88 4.33 4.23 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 1.22 0.00 0.00 27 N 7.58 5.01 0.00 2.76 2.84 0.00 0.00 6.00 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 28 M 8.21 4.16 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 29 E 9.33 4.60 0.00 2.07 1.89 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 2.22 2.36 0.00 30 A 8.06 4.33 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 31 Q 8.58 4.55 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 32 N 7.58 5.04 0.00 2.67 2.61 0.00 0.00 6.93 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 33 T 8.63 4.17 4.48 0.00 0.00 0.00 0.00 0.00 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 34 T 7.82 4.24 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 1.25 0.00 0.00 35 E 8.16 4.21 0.00 2.19 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 2.33 2.26 0.00 36 V 7.79 4.78 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 1.04 0.00 0.00 0.99 0.00 0.00 37 Y 8.91 5.11 0.00 3.10 2.69 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 38 V 8.58 5.04 2.35 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 1.14 0.00 0.00 1.08 0.00 0.00 39 K 9.22 5.19 0.00 1.76 1.73 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.69 7.81 40 W 9.64 5.28 0.00 3.38 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 41 K 9.40 5.24 0.00 1.70 1.69 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.38 7.81 42 F 9.19 4.62 0.00 2.51 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 43 K 9.14 3.20 0.00 1.42 1.55 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.61 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.74 0.21 7.81 44 G 9.28 3.89 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 0.00 0.00 0.00 45 R 7.53 4.58 0.00 2.00 2.00 0.00 2.82 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 46 D 8.62 5.01 0.00 2.72 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 47 I 8.40 4.11 0.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.53 0.54 0.00 0.00 48 Y 7.63 5.09 0.00 3.08 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 49 T 8.08 5.07 4.10 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 1.25 0.00 0.00 50 F 8.84 4.69 0.00 3.22 2.96 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 51 D 7.90 3.87 0.00 2.49 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 0.00 0.00 0.00 52 G 8.29 3.32 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 0.00 53 A 7.91 3.95 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 54 L 7.87 4.20 0.00 1.52 1.66 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 55 N 7.62 3.98 0.00 2.82 2.86 0.00 0.00 6.74 6.68 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 56 K 7.53 4.55 0.00 1.78 1.46 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 1.33 7.81 57 S 8.77 5.12 0.00 3.91 3.87 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 58 T 8.12 4.64 4.13 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 1.19 0.00 0.00 59 V 8.38 5.01 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 1.14 0.00 0.00 1.06 0.00 0.00 60 P 0.00 4.64 0.00 2.52 2.26 0.00 3.92 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.04 0.00 61 T 8.46 4.00 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 1.24 0.00 0.00 62 D 8.13 4.71 0.00 2.80 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 63 F 8.12 4.81 0.00 3.05 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 64 S 8.29 4.33 0.00 4.01 4.21 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 65 S 8.05 4.41 0.00 3.97 3.98 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 66 A 7.82 4.45 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 67 K 8.41 4.14 0.00 1.71 1.81 0.00 1.19 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.19 7.81 68 I 7.58 4.41 1.73 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 1.09 0.53 0.74 0.00 0.00 69 E 8.31 4.19 0.00 1.97 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 2.27 2.28 0.00 70 V 8.00 3.35 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 0.79 0.00 0.00 0.25 0.00 0.00 71 S 8.00 4.20 0.00 4.04 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 72 Q 8.00 4.39 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 73 L 7.52 4.33 0.00 1.70 1.68 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.77 4.16 0.00 1.68 1.72 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.70 4.09 0.00 1.87 1.90 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.39 7.81 76 G 8.38 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 77 D 7.90 4.41 0.00 2.76 2.70 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 78 A 8.44 4.88 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 79 S 8.19 4.39 0.00 3.64 3.81 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 80 L 8.37 4.17 0.00 0.27 0.13 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.53 4.99 0.00 1.48 1.48 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.16 7.81 82 M 8.56 5.00 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 83 D 8.85 4.91 0.00 2.81 2.75 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 84 K 8.18 3.88 0.00 1.66 2.12 0.00 0.61 0.00 0.00 1.33 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.11 0.87 7.81 85 S 7.94 4.30 0.00 4.10 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 0.00 86 D 8.49 3.95 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.18 3.93 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 0.93 0.00 0.00 0.48 0.00 0.00 89 S 7.43 4.39 0.00 3.70 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 90 H 7.70 5.05 0.00 3.04 2.70 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.84 4.51 4.64 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 1.63 0.00 0.00 92 G 8.09 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 93 N 8.61 5.38 0.00 2.66 2.86 0.00 0.00 6.62 7.46 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 94 Y 9.84 5.18 0.00 3.11 3.39 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 95 T 9.15 4.88 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 1.15 0.00 0.00 96 C 8.67 3.94 0.00 1.23 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 0.00 0.00 0.00 0.00 97 E 8.77 5.08 0.00 1.96 1.83 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 2.21 2.19 0.00 98 V 9.01 5.00 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 0.96 0.00 0.00 1.04 0.00 0.00 99 T 8.99 5.18 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 1.34 0.00 0.00 100 E 9.01 4.86 0.00 2.00 1.77 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 2.20 2.27 0.00 101 L 9.06 3.60 0.00 1.79 1.17 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.97 4.37 4.24 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 1.20 0.00 0.00 103 R 7.74 4.17 0.00 2.06 1.84 0.00 3.07 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 104 E 8.28 5.16 0.00 2.03 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 2.18 2.32 0.00 105 G 8.61 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.56 5.05 0.00 1.80 1.77 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 2.08 2.14 0.00 107 T 8.29 4.44 3.36 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 0.79 0.00 0.00 108 I 8.20 5.07 1.88 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 1.34 0.74 1.03 0.00 0.00 109 I 8.95 4.82 2.12 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 1.04 0.00 0.00 110 E 9.03 4.93 0.00 2.33 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 0.00 2.40 2.41 0.00 111 L 9.42 4.93 0.00 1.86 1.99 0.81 -0.04 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 0.00 112 K 9.12 5.07 0.00 1.91 1.71 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 113 Y 8.90 4.00 0.00 2.66 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 0.00 114 R 7.82 4.38 0.00 1.50 1.73 0.00 3.32 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 115 V 7.96 3.31 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 0.86 0.00 0.00 0.84 0.00 0.00