NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8729 8.3393 109.7371 46.8538 0.0000 173.2934 2 S 3.4516 8.0101 106.1350 57.5832 62.4784 171.4333 3 S 4.2218 8.3373 115.1558 59.8818 63.7526 173.7583 4 G 4.2298 8.0401 110.0495 44.5133 0.0000 171.3846 5 S 4.6308 8.3125 112.0180 57.2911 65.3891 173.4009 6 S 4.6329 8.2601 117.4382 57.5659 65.8468 173.8260 7 G 3.9612 8.6954 107.8351 46.8756 0.0000 175.0978 8 E 4.6673 7.5540 118.0506 56.4999 30.3581 174.8861 9 H 4.0452 8.5265 111.8105 56.7778 28.7693 173.6091 10 A 3.9296 8.1082 117.9453 50.8885 18.8503 176.7293 11 P 4.3793 0.0000 0.0000 62.6371 32.2204 175.7282 12 A 4.6562 7.9656 121.5423 50.2938 22.1424 176.0954 13 T 4.0557 8.4155 112.0661 61.7577 69.3560 173.9313 14 T 4.6028 8.0718 119.6707 60.1198 70.6534 174.5376 15 G 3.8219 8.2244 115.5273 44.3346 0.0000 171.4659 16 P 4.4559 0.0000 0.0000 62.5706 32.0421 175.3318 17 L 4.8740 7.9271 118.5506 52.0319 44.9766 176.1131 18 P 4.7158 0.0000 0.0000 62.7664 33.5975 174.3826 19 S 4.9296 8.4020 113.8267 56.7820 66.2023 173.9268 20 A 4.1983 8.1131 126.1625 50.8865 19.2163 175.3712 21 P 4.6099 0.0000 0.0000 63.0445 32.9909 174.8428 22 R 4.6091 8.1726 117.2572 53.8979 34.3843 175.2745 23 D 4.3878 8.6678 115.3509 55.3294 39.5541 173.2337 24 V 4.0565 7.9122 117.2998 63.0975 31.7583 174.9572 25 V 4.6546 9.0597 120.5554 59.7543 36.3959 174.5862 26 A 5.3002 8.3014 123.2112 49.9387 19.3771 177.4679 27 S 4.3538 8.0692 117.8327 62.2151 63.1470 174.2900 28 L 4.5027 7.5538 119.8374 53.7919 45.9690 175.1076 29 V 4.2263 8.0922 123.1908 60.9557 32.4470 175.1230 30 S 4.2210 7.5939 122.2561 56.8537 63.0611 174.4005 31 T 4.0810 8.1627 113.1238 63.5155 69.0001 175.4277 32 R 4.6678 8.2117 118.8230 54.8314 31.7016 174.3977 33 F 5.5690 7.0944 112.0225 57.6011 41.6456 172.7027 34 I 4.4764 8.2272 118.2920 59.8421 41.6035 174.3091 35 K 4.7397 9.3029 129.6244 56.0113 33.4528 175.6432 36 L 5.2764 9.0448 127.6807 53.6399 45.1524 175.8302 37 T 4.6843 9.0908 111.3662 60.5664 72.1108 172.6820 38 W 6.2096 8.3962 123.1569 53.9441 32.2572 173.9850 39 R 4.7101 9.0280 117.7685 54.3533 32.0377 175.3744 40 T 4.5073 8.3714 109.5867 60.9252 69.4295 173.0254 41 P 4.5182 0.0000 0.0000 62.3064 32.3615 177.0535 42 A 4.0564 8.6756 122.8967 55.4315 18.5105 179.4684 43 S 4.2169 8.1669 109.3128 60.6298 63.3740 173.6459 44 D 4.7681 7.8989 121.3190 51.3734 41.8848 174.3630 45 P 4.4167 0.0000 0.0000 64.4861 31.7432 176.9768 46 H 4.6062 8.1937 114.7161 55.4601 31.1188 174.4694 47 G 4.6036 7.4569 106.5783 45.8097 0.0000 174.5647 48 D 4.6712 8.2444 121.0660 54.3494 42.0495 176.1395 49 N 4.9100 8.1492 114.4962 52.2526 37.7026 173.9801 50 L 4.8231 7.3312 118.1791 54.7739 43.2839 176.4925 51 T 4.2188 8.7474 119.6275 63.4773 70.3906 172.8639 52 Y 5.3460 8.5302 119.9119 56.5450 41.2781 174.8496 53 S 4.8909 9.4374 120.5105 56.6382 66.0282 173.2080 54 V 4.8147 7.9741 123.5075 61.2391 34.0298 174.0553 55 F 5.7124 9.8705 127.9221 55.3243 41.0447 174.3170 56 Y 5.3290 7.4432 121.8815 54.7423 40.8997 174.7427 57 T 4.8393 8.2086 114.8655 60.6590 71.2065 172.2769 58 K 4.1784 9.1673 129.6921 55.8934 33.4274 174.8965 59 E 3.8914 8.6159 126.7607 58.9050 29.2544 174.8162 60 G 4.2603 9.1814 115.9010 46.0031 0.0000 174.0915 61 I 3.7741 7.3720 119.5258 61.1345 37.5557 176.0381 62 A 4.1637 8.4208 126.7076 53.7973 19.3860 177.3336 63 R 4.0037 7.9516 115.8790 56.4649 29.7932 175.0412 64 E 4.8939 8.4907 123.1511 54.4883 32.7119 175.3087 65 R 4.5885 7.6509 120.0524 54.3062 32.9022 175.3857 66 V 4.0100 8.0313 122.5490 60.2380 33.1096 175.1867 67 E 4.5504 8.6380 124.1122 54.2762 31.9770 174.2568 68 N 5.0552 8.7278 125.5104 52.8296 39.6454 175.4206 69 T 3.8900 8.5939 114.2538 62.4650 68.9591 175.1340 70 S 4.0595 8.9569 120.8326 61.2899 62.4692 173.9946 71 H 4.9691 8.1541 115.5238 52.9757 32.6668 170.8773 72 P 4.4346 0.0000 0.0000 64.1331 31.7518 176.5493 73 G 4.5668 9.1641 110.5243 44.6601 0.0000 172.7140 74 E 3.8253 7.9327 120.3454 57.2864 29.5862 176.5777 75 M 3.7352 8.3850 124.7753 55.7741 32.8687 175.7806 76 Q 4.3413 7.1312 116.1739 54.3491 33.3774 174.4527 77 V 4.5460 8.1762 119.6307 60.9181 35.3250 173.0513 78 T 4.9932 8.4582 118.0653 62.0412 71.3398 174.2454 79 I 4.2660 8.4424 126.5598 59.8366 38.4902 175.4527 80 Q 4.6041 8.3123 126.3215 54.7207 30.7990 174.6225 81 N 4.1893 8.5980 113.7913 55.1679 34.9339 174.0737 82 L 4.6512 8.0955 116.8287 53.1721 45.6880 175.6303 83 M 4.8492 8.0641 119.3457 53.3535 33.4800 174.1233 84 P 4.5317 0.0000 0.0000 62.7240 32.7265 175.1921 85 A 3.9465 7.9295 120.0387 53.5854 16.7014 177.5529 86 T 4.5502 8.2764 115.7143 62.6888 72.7137 174.7567 87 V 4.0289 8.2104 126.4688 63.3403 33.2435 174.2783 88 Y 4.9789 9.1296 124.1972 56.5764 42.8595 174.3239 89 I 4.7389 8.8053 125.6646 60.4614 38.3288 174.6083 90 F 5.2498 9.2053 127.2514 56.2941 40.9083 175.5062 91 R 4.8824 9.1652 122.1867 54.4881 33.4688 174.6076 92 V 4.5147 8.8066 125.0250 61.9016 33.4920 174.3772 93 M 5.1193 8.8981 125.2958 54.0878 36.1781 173.5086 94 A 5.0390 8.6033 125.0330 51.0323 22.0016 176.1210 95 Q 5.3401 9.1752 118.5875 53.9540 33.6496 174.0961 96 N 5.4846 8.4647 121.1764 50.3393 40.7091 174.7982 97 K 3.9086 8.8163 116.8738 60.7150 31.8460 177.0050 98 H 4.5237 7.9063 116.9156 55.3361 30.1486 178.9276 99 G 4.0558 7.2055 107.6624 46.4964 0.0000 172.3612 100 S 4.7318 8.5571 120.8698 57.6002 65.2264 172.9807 101 G 3.6881 8.8106 116.5411 47.2255 0.0000 174.9856 102 E 4.9132 5.9000 124.6614 53.9773 33.2257 174.3580 103 S 4.7515 8.5672 121.7478 57.4663 63.8905 174.0261 104 S 4.3035 9.0134 120.4969 58.0480 63.3285 174.0633 105 A 4.2925 8.4030 121.5320 51.1048 19.0149 175.6568 106 P 4.3460 0.0000 0.0000 62.8684 32.2278 175.3628 107 L 4.5074 8.9047 128.1194 53.5330 43.7204 175.3235 108 R 4.6794 8.7581 127.6574 55.7098 30.4376 175.1494 109 V 4.5252 8.9275 127.3630 60.9475 34.2999 173.6379 110 E 5.0375 8.7595 128.8811 54.3743 31.3627 175.6428 111 T 4.2450 8.2267 116.7056 62.0694 69.7302 173.0716 112 Q 4.7443 8.3546 119.3725 53.3854 31.7146 173.9961 113 P 4.3713 0.0000 0.0000 62.5586 30.9798 175.6593 114 E 3.9830 8.7752 125.3298 55.9920 30.4471 177.9892 115 S 4.0953 8.5129 114.9778 60.6878 62.8720 172.6256 116 G 3.8525 8.0288 103.8330 43.4442 0.0000 170.8409 117 P 4.2103 0.0000 0.0000 65.8894 31.4780 175.9807 118 S 4.0899 8.1086 118.2550 58.2100 62.5980 174.4809 119 S 4.1243 8.9721 121.9650 61.1084 62.8809 175.2053 120 G 4.3298 8.0889 111.5989 46.0583 0.0000 172.9143 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 G 8.34 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 0.00 0.00 0.00 2 S 8.01 3.45 0.00 4.17 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 3 S 8.34 4.22 0.00 3.85 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 4 G 8.04 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 0.00 0.00 0.00 0.00 5 S 8.31 4.63 0.00 3.79 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 6 S 8.26 4.63 0.00 3.97 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 7 G 8.70 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 8 E 7.55 4.67 0.00 1.90 1.91 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 2.20 2.31 0.00 9 H 8.53 4.05 0.00 3.20 3.32 0.00 5.79 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 10 A 8.11 3.93 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 11 P 0.00 4.38 0.00 2.16 2.02 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 12 A 7.97 4.66 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 13 T 8.42 4.06 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 1.20 0.00 0.00 14 T 8.07 4.60 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 1.24 0.00 0.00 15 G 8.22 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 16 P 0.00 4.46 0.00 2.17 2.04 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 17 L 7.93 4.87 0.00 1.61 1.58 0.98 1.09 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 18 P 0.00 4.72 0.00 2.14 2.26 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 19 S 8.40 4.93 0.00 3.74 3.77 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 20 A 8.11 4.20 1.31 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 0.00 0.00 0.00 21 P 0.00 4.61 0.00 1.99 2.04 0.00 3.75 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 1.49 1.20 0.00 22 R 8.17 4.61 0.00 1.82 1.91 0.00 3.47 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 23 D 8.67 4.39 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.91 4.06 2.13 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 0.90 0.00 0.00 0.88 0.00 0.00 25 V 9.06 4.65 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 0.67 0.00 0.00 1.05 0.00 0.00 26 A 8.30 5.30 1.16 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 0.00 0.00 0.00 27 S 8.07 4.35 0.00 3.79 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 28 L 7.55 4.50 0.00 1.90 1.43 0.96 0.47 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 29 V 8.09 4.23 2.00 0.00 0.00 0.00 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 0.86 0.00 0.00 30 S 7.59 4.22 0.00 2.72 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 31 T 8.16 4.08 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 1.24 0.00 0.00 32 R 8.21 4.67 0.00 2.00 2.03 0.00 3.21 0.00 0.00 3.37 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 33 F 7.09 5.57 0.00 3.19 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 34 I 8.23 4.48 1.48 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.00 0.64 0.00 0.00 35 K 9.30 4.74 0.00 2.05 1.90 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.44 7.81 36 L 9.04 5.28 0.00 1.85 1.90 1.01 -0.05 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 37 T 9.09 4.68 4.11 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 0.00 0.00 0.00 1.06 0.00 0.00 38 W 8.40 6.21 0.00 3.37 3.16 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 0.00 39 R 9.03 4.71 0.00 1.87 2.14 0.00 2.80 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 40 T 8.37 4.51 4.51 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 1.39 0.00 0.00 41 P 0.00 4.52 0.00 2.35 2.45 0.00 4.08 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.17 0.00 42 A 8.68 4.06 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 43 S 8.17 4.22 0.00 4.02 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 44 D 7.90 4.77 0.00 2.77 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 45 P 0.00 4.42 0.00 2.24 2.22 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 46 H 8.19 4.61 0.00 3.16 3.40 0.00 5.79 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 47 G 7.46 4.60 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 0.00 0.00 0.00 48 D 8.24 4.67 0.00 2.83 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 49 N 8.15 4.91 0.00 2.81 2.86 0.00 0.00 5.83 7.94 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 50 L 7.33 4.82 0.00 1.41 1.52 0.69 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.75 4.22 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 1.25 0.00 0.00 52 Y 8.53 5.35 0.00 3.32 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 53 S 9.44 4.89 0.00 3.78 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 54 V 7.97 4.81 2.26 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 1.35 0.00 0.00 1.08 0.00 0.00 55 F 9.87 5.71 0.00 2.95 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 56 Y 7.44 5.33 0.00 2.37 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.84 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 1.26 0.00 0.00 58 K 9.17 4.18 0.00 1.88 1.67 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.07 7.81 59 E 8.62 3.89 0.00 1.94 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 2.28 2.33 0.00 60 G 9.18 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 0.00 0.00 0.00 0.00 61 I 7.37 3.77 1.98 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 1.30 0.86 0.99 0.00 0.00 62 A 8.42 4.16 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 63 R 7.95 4.00 0.00 1.78 1.89 0.00 3.18 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 64 E 8.49 4.89 0.00 2.04 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 2.28 2.29 0.00 65 R 7.65 4.59 0.00 0.84 1.60 0.00 3.21 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 66 V 8.03 4.01 1.58 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 0.54 0.00 0.00 -0.38 0.00 0.00 67 E 8.64 4.55 0.00 2.35 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 2.27 2.35 0.00 68 N 8.73 5.06 0.00 2.66 2.76 0.00 0.00 7.10 7.48 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 69 T 8.59 3.89 4.59 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 1.62 0.00 0.00 70 S 8.96 4.06 0.00 3.83 4.02 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 71 H 8.15 4.97 0.00 3.19 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.61 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 4.43 0.00 2.19 2.06 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 73 G 9.16 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 0.00 0.00 0.00 0.00 74 E 7.93 3.83 0.00 2.28 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 2.54 2.26 0.00 75 M 8.38 3.74 0.00 1.81 1.79 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 76 Q 7.13 4.34 0.00 1.67 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.51 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 77 V 8.18 4.55 2.24 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 0.98 0.00 0.00 1.03 0.00 0.00 78 T 8.46 4.99 4.08 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 0.85 0.00 0.00 79 I 8.44 4.27 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.32 0.20 0.00 0.00 80 Q 8.31 4.60 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.54 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 81 N 8.60 4.19 0.00 2.84 2.95 0.00 0.00 6.69 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 82 L 8.10 4.65 0.00 1.50 1.33 0.89 -0.07 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 83 M 8.06 4.85 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 84 P 0.00 4.53 0.00 2.18 2.16 0.00 4.03 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 2.02 2.16 0.00 85 A 7.93 3.95 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 86 T 8.28 4.55 4.43 0.00 0.00 0.00 0.00 0.00 0.00 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 87 V 8.21 4.03 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 1.12 0.00 0.00 0.88 0.00 0.00 88 Y 9.13 4.98 0.00 2.92 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 0.00 0.00 0.00 89 I 8.81 4.74 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 1.47 1.46 0.95 0.00 0.00 90 F 9.21 5.25 0.00 3.15 3.09 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 0.00 91 R 9.17 4.88 0.00 1.85 1.82 0.00 3.05 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 92 V 8.81 4.51 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 -1.44 0.00 0.00 0.59 0.00 0.00 93 M 8.90 5.12 0.00 2.32 1.89 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 94 A 8.60 5.04 1.27 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 0.00 0.00 95 Q 9.18 5.34 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 96 N 8.46 5.48 0.00 2.72 2.87 0.00 0.00 5.96 7.30 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 97 K 8.82 3.91 0.00 1.82 1.97 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.16 7.81 98 H 7.91 4.52 0.00 3.20 3.28 0.00 5.80 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 99 G 7.21 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 0.00 100 S 8.56 4.73 0.00 4.03 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 0.00 101 G 8.81 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 0.00 102 E 5.90 4.91 0.00 2.07 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 2.18 0.00 103 S 8.57 4.75 0.00 3.77 3.66 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 0.00 0.00 0.00 0.00 104 S 9.01 4.30 0.00 3.79 3.92 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 0.00 105 A 8.40 4.29 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 0.00 106 P 0.00 4.35 0.00 2.11 2.11 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 107 L 8.90 4.51 0.00 1.89 1.91 0.98 0.66 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 0.00 108 R 8.76 4.68 0.00 1.91 1.90 0.00 3.42 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 109 V 8.93 4.53 2.55 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 1.10 0.00 0.00 1.05 0.00 0.00 110 E 8.76 5.04 0.00 2.01 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 2.20 2.27 0.00 111 T 8.23 4.24 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 1.36 0.00 0.00 112 Q 8.35 4.74 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.08 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 113 P 0.00 4.37 0.00 2.07 2.12 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 114 E 8.78 3.98 0.00 1.98 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 0.00 2.34 2.36 0.00 115 S 8.51 4.10 0.00 3.83 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 0.00 116 G 8.03 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 0.00 0.00 0.00 117 P 0.00 4.21 0.00 2.19 2.19 0.00 3.81 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 1.99 0.00 118 S 8.11 4.09 0.00 3.88 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 0.00 119 S 8.97 4.12 0.00 3.86 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 0.00 120 G 8.09 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 0.00 0.00 0.00 0.00