NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.4444 8.3193 115.4167 58.5131 64.3581 172.8324 17 N 4.6535 8.3425 115.4836 52.5320 38.1900 173.6054 18 A 4.7556 7.5991 122.3707 52.3384 19.9217 178.2722 19 I 4.8383 8.9148 112.4487 59.4724 42.0030 174.1418 20 V 4.8144 8.5752 122.8949 61.3314 34.2632 174.2343 21 V 4.7537 9.0990 129.2374 61.6503 33.2280 174.5883 22 L 5.0752 9.0675 128.7605 54.3381 43.3559 175.3557 23 C 5.6708 9.1633 121.5808 58.7894 35.5024 172.5080 24 T 5.3801 8.6561 112.6438 59.9628 71.6241 172.7762 25 A 4.6559 8.8679 123.6280 49.3736 22.3568 175.7331 26 P 4.5089 0.0000 0.0000 65.3713 31.9716 176.3013 27 D 4.5844 7.2998 117.6380 51.3557 43.5634 176.1509 28 E 3.9344 8.6158 119.1191 59.2566 29.3787 179.3894 29 A 3.9651 7.9473 120.6545 55.3146 18.5391 179.7465 30 S 4.0431 8.7268 112.8911 61.2901 63.0105 176.4165 31 A 3.9523 7.9008 124.3534 55.1275 18.0740 179.6519 32 Q 3.9078 8.4991 116.8765 59.1431 28.8011 178.7741 33 N 4.3301 8.1305 117.5141 56.1978 38.5055 177.2079 34 L 4.0509 8.1386 121.4825 58.0467 42.1308 178.7609 35 A 4.0470 8.3223 120.6759 55.2248 18.2807 179.3206 36 A 3.9359 8.2900 119.5053 55.4674 18.4606 179.8754 37 Q 3.9100 8.1902 116.3421 59.1467 28.8900 179.1327 38 V 3.1591 8.0601 119.4373 65.9587 31.4601 178.0711 39 L 4.0563 8.2709 118.9993 57.7628 41.2509 179.7208 40 G 3.5774 8.0321 104.7410 47.6772 0.0000 174.8894 41 E 4.0484 7.9499 118.1269 55.8035 30.1101 176.6772 42 K 3.7874 7.9987 118.5198 57.5639 30.0736 176.5690 43 L 4.3690 7.7598 117.0324 54.9765 42.4374 176.6727 44 A 4.5914 7.3252 119.5565 50.7900 22.1314 175.5362 45 A 4.1447 8.6633 121.9019 53.8952 20.0838 177.8014 46 C 4.8254 7.8312 113.8081 58.1574 35.4629 173.0645 47 V 4.6600 8.4019 124.6432 61.3734 33.7062 174.3648 48 T 4.5891 8.7239 124.8858 61.7647 70.9150 173.2086 49 L 4.9068 8.4500 125.9057 53.1735 43.9688 176.6173 50 L 4.7272 9.0097 124.6907 52.1435 42.4524 174.4005 51 P 4.5610 0.0000 0.0000 62.6084 32.8852 176.4602 52 G 3.7797 8.7077 105.9584 46.2372 0.0000 173.6964 53 A 4.4890 7.8908 121.4850 51.6303 20.1760 177.3222 54 T 5.0212 8.4389 115.2251 61.9001 71.3607 173.9012 55 S 4.9350 9.5098 122.4326 56.6775 65.8830 173.0447 56 L 5.2592 8.1786 123.6486 53.2162 44.2543 175.2267 57 Y 4.7161 7.6718 118.4411 56.6301 41.6584 172.4769 58 Y 4.7479 8.9485 118.6730 57.1491 39.6719 175.1919 59 W 5.0111 9.1170 133.2783 56.7451 33.4736 174.7650 60 E 3.8265 9.2407 126.5859 57.5369 26.2702 175.8281 61 G 3.9766 8.5163 105.4594 45.1517 0.0000 173.5008 62 K 4.6920 7.7579 121.1663 54.1412 34.9870 174.8343 63 L 3.5677 8.4384 129.2484 54.9000 42.4414 175.5604 64 E 4.4278 8.7345 126.6899 54.5841 32.3275 175.3882 65 Q 4.5384 8.2055 122.8425 54.5569 31.4948 173.8604 66 E 4.7125 9.1439 126.0357 54.4022 34.0326 175.0630 67 Y 4.9238 8.4283 120.0068 58.3813 39.0001 174.6784 68 E 4.9743 9.4901 122.1078 55.2517 35.3504 173.8502 69 V 4.7377 9.0736 120.9603 61.3428 33.9953 174.0744 70 Q 4.6461 8.9060 129.7635 55.2869 30.5314 174.2123 71 L 5.1436 9.3482 126.6399 52.9711 45.0602 175.6739 72 L 4.9620 8.7919 122.1985 53.1735 44.8957 175.6024 73 F 4.8549 9.4292 124.6562 56.2390 40.6397 175.4252 74 K 4.9437 9.3009 125.1119 55.5518 33.5102 175.3914 75 S 4.3049 8.8633 122.0503 57.4944 66.0409 172.0265 76 N 5.5263 8.6241 114.3134 50.3926 40.6687 175.0188 77 T 3.8932 9.3237 110.4609 65.2073 68.2559 176.2330 78 D 4.4144 7.7463 119.7433 56.4034 41.0244 177.2652 79 H 4.7602 8.1202 114.6233 55.1096 29.4718 175.6334 80 Q 3.9348 7.6749 122.9826 59.5470 28.9061 178.3010 81 Q 3.9318 8.0308 119.5086 59.1499 29.1482 177.8947 82 A 4.0305 7.9396 121.3486 54.8797 18.3901 179.2047 83 L 3.8252 8.1113 118.8849 58.3665 42.2553 179.0280 84 L 3.9012 7.9278 118.8670 58.2648 41.5643 179.8732 85 T 3.8655 8.0423 115.4282 66.6176 68.1737 176.1300 86 Y 3.8745 7.9561 120.2952 60.7683 39.1378 177.8666 87 I 3.9105 7.9901 120.7309 64.4148 37.0148 178.1233 88 K 3.8221 7.7526 118.9313 59.6183 32.0592 177.9747 89 Q 4.2465 7.6841 115.2105 56.5783 29.1448 175.5777 90 H 4.8391 8.0392 117.6140 55.8083 29.9571 172.6734 91 H 4.9028 8.0546 117.5081 53.2824 32.4547 171.7055 92 P 4.3145 0.0000 0.0000 65.6752 31.3879 176.6289 93 Y 4.7280 7.6581 114.9259 57.2750 38.8268 175.4932 94 Q 4.2432 8.7303 121.3354 58.6044 29.3904 176.9268 95 T 4.6263 7.4522 113.3404 60.7500 68.6861 171.5834 96 P 4.4958 0.0000 0.0000 61.8593 32.9065 176.7575 97 E 4.0684 8.5701 121.2315 56.5657 30.7732 175.7682 98 L 4.7500 8.4557 126.7136 53.6614 44.8924 174.9420 99 L 4.7200 8.8471 124.4080 52.6971 45.0542 176.0075 100 V 4.4197 8.5114 124.5295 61.7236 32.5609 174.8642 101 L 4.7319 8.9384 129.5054 52.8388 43.2160 174.8913 102 P 4.7301 0.0000 0.0000 62.7088 32.6616 175.5790 103 V 4.2939 8.0780 120.8640 61.2752 32.7163 175.4336 104 R 3.9783 8.9426 128.7518 59.2130 30.2487 174.9763 105 D 4.4042 7.2209 113.6241 54.1642 43.8246 173.3607 106 G 4.0289 8.0169 108.5954 43.5150 0.0000 173.1556 107 D 4.4761 8.2204 118.9354 53.8219 42.6870 176.7997 108 K 3.9838 8.7556 126.5970 60.4443 32.6018 179.0857 109 D 4.4070 8.2183 119.6700 57.0767 40.7989 177.9519 110 Y 4.1835 8.4142 120.0545 60.8400 38.7960 177.9947 111 L 4.0233 8.3888 120.1316 57.9788 41.6101 179.8124 112 S 4.0983 8.2847 115.1445 61.1275 62.7985 176.4917 113 W 4.0480 8.2089 131.1454 60.2557 30.2580 177.6664 114 L 3.0080 7.7439 119.2967 58.0649 41.6359 178.4476 115 N 4.3201 8.1483 116.1969 56.2493 38.2572 177.3828 116 A 3.9270 7.9710 121.6319 54.7310 18.4822 179.4174 117 S 3.9696 7.2381 111.7685 59.7925 63.4569 174.9654 118 L 4.1224 6.4820 122.1888 53.5022 42.2051 176.6165 119 L 4.0514 7.9904 122.0179 55.8228 41.8960 176.9891 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 16 S 8.32 4.44 0.00 4.02 4.01 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 17 N 8.34 4.65 0.00 2.87 3.08 0.00 0.00 5.85 6.57 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 18 A 7.60 4.76 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 19 I 8.91 4.84 1.91 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 1.27 0.66 0.99 0.00 0.00 20 V 8.58 4.81 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 1.04 0.00 0.00 1.00 0.00 0.00 21 V 9.10 4.75 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 1.03 0.00 0.00 0.95 0.00 0.00 22 L 9.07 5.08 0.00 1.66 1.79 0.96 0.59 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 23 C 9.16 5.67 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 24 T 8.66 5.38 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 1.32 0.00 0.00 25 A 8.87 4.66 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 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.51 0.00 2.21 2.31 0.00 3.44 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 27 D 7.30 4.58 0.00 2.84 2.77 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 28 E 8.62 3.93 0.00 2.01 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 2.38 2.35 0.00 29 A 7.95 3.97 1.30 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 0.00 0.00 30 S 8.73 4.04 0.00 3.92 4.05 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 31 A 7.90 3.95 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 32 Q 8.50 3.91 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 33 N 8.13 4.33 0.00 2.89 2.88 0.00 0.00 6.68 6.84 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 34 L 8.14 4.05 0.00 1.81 1.98 1.15 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.32 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 36 A 8.29 3.94 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 37 Q 8.19 3.91 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 38 V 8.06 3.16 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 1.10 0.00 0.00 1.08 0.00 0.00 39 L 8.27 4.06 0.00 1.84 1.68 0.97 1.20 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 40 G 8.03 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.95 4.05 0.00 1.68 1.73 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 2.18 1.56 0.00 42 K 8.00 3.79 0.00 1.87 1.84 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.31 7.81 43 L 7.76 4.37 0.00 1.46 1.61 0.65 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.33 4.59 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 45 A 8.66 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.83 4.83 0.00 3.38 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 47 V 8.40 4.66 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 -0.09 0.00 0.00 0.86 0.00 0.00 48 T 8.72 4.59 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 1.18 0.00 0.00 49 L 8.45 4.91 0.00 1.44 1.54 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.01 4.73 0.00 1.57 1.58 0.93 0.87 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 51 P 0.00 4.56 0.00 2.05 2.04 0.00 3.84 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 1.97 1.95 0.00 52 G 8.71 3.78 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 0.00 53 A 7.89 4.49 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 T 8.44 5.02 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 1.10 0.00 0.00 55 S 9.51 4.93 0.00 3.87 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 56 L 8.18 5.26 0.00 1.45 1.43 0.89 0.78 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 57 Y 7.67 4.72 0.00 3.17 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 58 Y 8.95 4.75 0.00 2.97 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 59 W 9.12 5.01 0.00 3.67 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 60 E 9.24 3.83 0.00 2.14 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 1.95 1.57 0.00 61 G 8.52 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 0.00 0.00 0.00 62 K 7.76 4.69 0.00 1.91 1.69 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.33 7.81 63 L 8.44 3.57 0.00 0.77 1.27 0.29 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.73 4.43 0.00 1.16 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 2.23 2.26 0.00 65 Q 8.21 4.54 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.76 0.00 0.00 0.00 0.00 0.00 1.99 2.21 0.00 66 E 9.14 4.71 0.00 1.96 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 2.13 2.45 0.00 67 Y 8.43 4.92 0.00 2.94 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 68 E 9.49 4.97 0.00 1.94 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 2.39 2.37 0.00 69 V 9.07 4.74 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 0.99 0.00 0.00 0.92 0.00 0.00 70 Q 8.91 4.65 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 71 L 9.35 5.14 0.00 1.81 1.21 1.02 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.79 4.96 0.00 1.49 1.59 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.43 4.85 0.00 2.95 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 9.30 4.94 0.00 1.92 1.93 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.46 7.81 75 S 8.86 4.30 0.00 3.88 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.62 5.53 0.00 3.10 2.84 0.00 0.00 5.73 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 77 T 9.32 3.89 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 78 D 7.75 4.41 0.00 2.94 2.64 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 79 H 8.12 4.76 0.00 3.18 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.67 3.93 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 81 Q 8.03 3.93 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 82 A 7.94 4.03 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 83 L 8.11 3.83 0.00 1.80 1.86 0.75 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.93 3.90 0.00 1.86 1.69 0.91 0.59 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 85 T 8.04 3.87 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 1.22 0.00 0.00 86 Y 7.96 3.87 0.00 3.08 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 87 I 7.99 3.91 1.77 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.90 0.00 0.00 88 K 7.75 3.82 0.00 1.85 2.02 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.52 7.81 89 Q 7.68 4.25 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.20 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 90 H 8.04 4.84 0.00 2.95 3.18 0.00 5.79 0.00 0.00 0.00 0.00 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.05 4.90 0.00 3.33 3.11 0.00 5.74 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.31 0.00 1.97 2.03 0.00 3.12 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.67 0.00 93 Y 7.66 4.73 0.00 2.94 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.73 4.24 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.27 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 95 T 7.45 4.63 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 1.28 0.00 0.00 96 P 0.00 4.50 0.00 1.98 1.49 0.00 3.76 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 1.92 1.84 0.00 97 E 8.57 4.07 0.00 2.06 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 0.00 2.56 2.36 0.00 98 L 8.46 4.75 0.00 1.50 1.54 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.85 4.72 0.00 1.60 1.56 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.51 4.42 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 0.87 0.00 0.00 0.94 0.00 0.00 101 L 8.94 4.73 0.00 1.71 1.59 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.73 0.00 2.09 2.06 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 103 V 8.08 4.29 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 0.88 0.00 0.00 0.99 0.00 0.00 104 R 8.94 3.98 0.00 1.83 1.96 0.00 3.34 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 105 D 7.22 4.40 0.00 2.61 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 0.00 106 G 8.02 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.22 4.48 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 3.98 0.00 2.05 2.09 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.58 7.81 109 D 8.22 4.41 0.00 2.97 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 0.00 110 Y 8.41 4.18 0.00 3.13 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 0.00 111 L 8.39 4.02 0.00 1.90 1.73 1.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.28 4.10 0.00 4.05 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 0.00 113 W 8.21 4.05 0.00 3.38 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 0.00 114 L 7.74 3.01 0.00 1.20 1.57 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.15 4.32 0.00 2.73 2.78 0.00 0.00 6.98 7.90 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 0.00 116 A 7.97 3.93 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 0.00 117 S 7.24 3.97 0.00 3.63 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 0.00 118 L 6.48 4.12 0.00 1.39 1.03 0.76 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.99 4.05 0.00 1.70 1.65 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00