NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.9856 7.9133 120.3798 62.2753 33.4282 174.9763 8 L 4.5564 7.3667 118.2991 51.3836 43.8224 175.1547 9 S 4.8104 9.5747 117.3836 57.0377 67.0583 175.6832 10 G 4.0873 8.4069 110.8984 48.0934 0.0000 176.4250 11 G 3.6273 8.0985 108.4712 47.3183 0.0000 175.3389 12 E 3.9707 7.7741 120.2224 59.2287 29.4398 179.3030 13 L 4.1751 8.4754 120.3948 57.7611 41.8475 178.8716 14 D 4.3773 8.0239 118.5780 57.1998 41.0523 178.1042 15 K 4.0586 8.1998 119.1407 59.4264 32.0962 178.8548 16 W 4.3984 8.7253 128.4720 60.7539 30.4565 177.2768 17 E 5.0698 8.3806 115.8356 56.3056 28.8547 177.1987 18 K 4.4220 7.6485 119.2771 56.0627 33.5347 175.8135 19 I 4.6199 7.6541 119.8537 61.0071 39.1711 174.9119 20 R 4.8012 8.1730 121.4608 54.4303 30.6087 177.1685 21 L 3.8747 8.1552 121.0483 56.7104 42.8345 177.6013 22 R 4.8034 7.5726 115.5682 53.0864 34.6067 173.2748 23 P 4.6740 0.0000 0.0000 66.5329 31.0737 178.3488 24 G 3.8478 8.7213 113.3892 45.7117 0.0000 173.4181 25 G 3.9636 7.6230 107.5547 43.8775 0.0000 173.9647 26 K 4.1671 8.3328 119.4156 58.2258 33.1014 177.0928 27 K 4.1698 7.6584 118.3133 56.5316 33.2227 175.8418 28 Q 4.7182 8.1831 121.3850 53.9789 33.3270 174.2437 29 Y 3.6585 8.2753 118.0759 57.4215 38.1608 176.9314 30 K 4.6677 8.7299 124.6090 55.1305 34.0737 177.6338 31 L 4.3368 8.6555 120.3635 58.4105 41.8295 178.6792 32 K 4.0421 8.2477 118.4201 60.4423 32.0707 178.6176 33 H 4.5497 8.1577 116.2950 58.7539 28.6377 177.7533 34 I 3.8493 8.3336 121.9920 64.0773 36.8205 178.6571 35 V 3.8299 7.7897 120.0331 65.2105 31.4800 177.5226 36 W 4.2266 8.4866 127.9260 60.7444 30.5770 177.7580 37 A 3.6120 8.2443 120.9308 54.9028 17.6314 179.7845 38 S 3.9931 8.2968 112.9885 61.7382 63.2374 177.0449 39 R 3.8466 8.1469 122.2347 58.7230 29.7812 178.7186 40 E 3.6403 8.3197 118.8859 59.2537 29.2059 179.5625 41 L 3.7882 7.6872 118.9219 57.6548 41.6477 179.0779 42 E 3.9506 7.7931 117.5984 59.7415 28.9915 179.2026 43 R 3.9314 7.6742 118.0459 59.1197 30.2923 177.8926 44 F 4.2897 8.4649 113.3632 57.0566 38.7827 175.0987 45 A 3.8390 7.9769 120.5444 53.0841 16.5864 177.5560 46 V 4.2350 8.1924 118.3288 62.4524 33.5751 175.2642 47 N 4.5325 8.4516 124.2797 52.4640 38.7296 173.9629 48 P 4.4327 0.0000 0.0000 64.9795 31.0303 178.3143 49 G 3.7648 8.1747 103.6380 46.4851 0.0000 175.4359 50 L 4.1033 7.8422 121.3927 57.6180 41.3297 179.1604 51 L 4.0854 7.6337 118.3120 57.0192 41.4451 177.4764 52 E 4.6727 7.3203 113.6482 55.5114 30.0091 176.2566 53 T 4.4433 7.6332 112.3230 59.7437 71.8523 174.1978 54 S 4.2236 8.5536 123.1799 61.9069 62.9491 176.7613 55 E 4.0677 8.2356 121.2280 59.2441 29.4702 178.8500 56 G 3.5647 8.1364 105.6236 48.1059 0.0000 175.1044 57 C 3.9924 8.1276 119.7321 62.5486 28.1866 176.3385 58 R 3.5017 8.2677 120.2505 59.6326 29.6726 178.6874 59 Q 4.0140 8.4063 118.1324 58.8676 28.5572 178.8230 60 I 3.7188 8.1650 121.4238 64.1918 37.0348 178.4722 61 L 3.8206 7.8138 119.9732 57.7658 41.2273 179.7559 62 G 3.6764 7.8167 104.2321 47.7992 0.0000 175.2274 63 Q 4.1473 7.7373 120.5230 59.1936 29.3975 178.0143 64 L 4.2503 8.4390 120.4240 57.5466 41.6234 178.9333 65 Q 3.8290 8.6365 120.2052 59.0924 28.7184 177.2277 66 P 4.3466 0.0000 0.0000 65.0062 31.3023 177.8541 67 S 4.4830 8.4185 113.2670 59.2718 63.1701 176.2775 68 L 3.7827 7.5937 122.9529 57.8692 41.1776 178.8638 69 Q 3.9350 8.0766 118.2206 58.7410 29.0122 177.0029 70 T 4.4820 7.3231 104.6744 61.0424 69.0508 174.7225 71 G 3.7938 7.5243 110.8944 45.4770 0.0000 174.5896 72 S 4.5347 8.3134 116.0436 57.2950 65.6906 174.7579 73 E 4.0322 8.6620 121.0152 59.0991 29.3715 177.9835 74 E 4.2421 8.3372 119.3305 59.3341 29.8010 178.4545 75 L 4.1794 7.7652 120.2482 58.2943 42.0904 179.0676 76 R 4.1798 8.3524 118.3361 59.0633 29.9585 178.8642 77 S 4.4276 8.6385 113.9712 60.3948 63.4823 176.4644 78 L 4.3358 8.1473 124.0232 58.5438 41.9581 178.2292 79 Y 4.0648 8.7847 119.7914 60.6815 38.6280 177.9359 80 N 4.5267 8.3317 117.5921 56.5130 38.6771 177.3676 81 T 3.9954 8.0867 117.1451 67.0685 68.6735 176.7429 82 I 3.6915 7.8539 120.9557 63.9678 36.8642 178.3349 83 A 3.8662 7.8743 121.8467 55.1796 18.2033 179.8135 84 V 3.5323 7.8934 116.6605 66.1482 31.5845 177.8972 85 L 3.8240 8.3147 120.3879 58.2035 41.7915 178.3155 86 Y 4.0768 8.1556 119.4770 60.8404 38.7938 177.2760 87 C 3.7091 7.9617 117.6925 63.0443 28.3713 176.4039 88 V 3.5399 7.8632 119.3000 66.6905 30.8748 177.8831 89 H 4.7368 7.7209 115.0556 57.6700 28.5448 176.7727 90 Q 4.1106 7.6250 117.5727 54.5444 29.4375 175.4074 91 R 3.6956 8.0066 118.7894 57.0071 28.4014 176.3827 92 I 4.2006 7.7270 117.5640 60.3573 38.4956 177.1433 93 D 4.6139 8.3981 126.1966 52.8647 39.6000 174.1732 94 V 4.3137 7.5097 114.7757 59.2590 33.6682 176.6830 95 K 4.1611 8.9457 124.4680 58.6117 32.3648 176.2670 96 D 5.8500 7.4433 115.4402 50.0977 42.2792 175.7341 97 T 4.0213 7.8750 111.8083 66.4061 68.1147 176.9510 98 K 4.0461 8.1190 121.6698 59.5223 32.3286 178.5332 99 E 3.9678 8.3199 118.3495 59.2062 29.3807 178.8527 100 A 4.0519 7.7852 120.9287 55.6407 18.3849 179.7190 101 L 4.1831 7.9420 116.4132 57.6807 41.8058 179.3506 102 D 4.4090 8.2049 119.0637 56.8289 40.6143 178.5852 103 K 3.9377 7.9898 120.0797 59.7037 32.3171 178.5945 104 I 3.6069 7.9033 119.9829 64.9576 37.0856 178.1705 105 E 4.0667 8.4330 119.0800 59.0037 29.3775 179.0250 106 E 4.0356 8.6410 119.8335 59.4158 29.7956 178.8013 107 E 4.0155 8.3880 118.7117 59.5947 29.2905 179.4303 108 Q 4.0738 8.1893 117.8286 58.4652 28.6120 178.0882 109 N 4.5223 7.8061 115.7226 54.6488 38.9913 177.0619 110 K 3.8355 7.8465 121.1355 60.0488 32.2878 178.9742 111 S 4.1885 8.1049 114.9092 60.9650 62.5269 176.6152 112 K 3.9548 7.5724 121.7793 59.3715 32.3133 178.8008 113 K 4.2027 8.6230 121.6376 60.7030 32.0737 179.1787 114 K 3.7825 8.5847 122.3808 61.0069 31.0954 179.1541 115 A 4.7955 8.2356 121.1807 52.5740 19.4361 178.5375 116 Q 4.3633 8.7820 122.3770 58.4133 32.5653 176.9937 117 Q 4.5134 8.1434 112.5904 54.4811 30.3744 178.8643 118 A 4.3423 7.8132 117.6843 54.2407 20.0374 176.8781 119 A 4.2602 7.7148 121.6951 52.2119 19.0000 177.1394 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 7 V 7.91 3.99 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 0.84 0.00 0.00 0.85 0.00 0.00 8 L 7.37 4.56 0.00 1.51 1.40 0.45 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.57 4.81 0.00 3.98 3.95 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 0.00 0.00 0.00 10 G 8.41 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 0.00 0.00 0.00 0.00 11 G 8.10 3.63 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 0.00 0.00 0.00 12 E 7.77 3.97 0.00 2.39 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 2.30 2.30 0.00 13 L 8.48 4.18 0.00 1.82 1.89 0.87 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.02 4.38 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 4.06 0.00 2.11 1.95 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 16 W 8.73 4.40 0.00 3.26 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 17 E 8.38 5.07 0.00 2.12 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 2.79 2.70 0.00 18 K 7.65 4.42 0.00 1.82 2.02 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.37 7.81 19 I 7.65 4.62 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 1.01 0.00 0.00 20 R 8.17 4.80 0.00 1.84 1.95 0.00 3.02 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 21 L 8.16 3.87 0.00 1.41 1.39 0.60 -0.55 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 22 R 7.57 4.80 0.00 1.75 1.72 0.00 3.10 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 23 P 0.00 4.67 0.00 2.02 1.91 0.00 3.71 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 24 G 8.72 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 25 G 7.62 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 26 K 8.33 4.17 0.00 1.68 1.77 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.35 7.81 27 K 7.66 4.17 0.00 1.59 1.56 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.39 7.81 28 Q 8.18 4.72 0.00 1.77 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 29 Y 8.28 3.66 0.00 1.74 1.43 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 0.00 30 K 8.73 4.67 0.00 1.77 1.88 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.35 7.81 31 L 8.66 4.34 0.00 1.87 1.76 1.01 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.25 4.04 0.00 2.02 2.07 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.29 7.81 33 H 8.16 4.55 0.00 4.16 3.89 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.33 3.85 1.99 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.24 0.79 0.00 0.00 35 V 7.79 3.83 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 1.53 0.00 0.00 1.06 0.00 0.00 36 W 8.49 4.23 0.00 3.54 3.29 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 37 A 8.24 3.61 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 3.99 0.00 4.03 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 0.00 39 R 8.15 3.85 0.00 1.79 1.96 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 40 E 8.32 3.64 0.00 1.33 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 1.47 1.47 0.00 41 L 7.69 3.79 0.00 1.75 1.81 0.84 0.53 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 42 E 7.79 3.95 0.00 2.13 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 0.00 2.50 2.49 0.00 43 R 7.67 3.93 0.00 1.91 2.35 0.00 3.36 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 44 F 8.46 4.29 0.00 3.01 3.08 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 45 A 7.98 3.84 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 46 V 8.19 4.24 2.16 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 0.77 0.00 0.00 1.03 0.00 0.00 47 N 8.45 4.53 0.00 2.83 2.69 0.00 0.00 7.10 7.71 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 48 P 0.00 4.43 0.00 2.16 2.16 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 49 G 8.17 3.76 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 0.00 0.00 0.00 50 L 7.84 4.10 0.00 1.76 1.59 0.95 0.45 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 L 7.63 4.09 0.00 1.73 1.68 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.32 4.67 0.00 2.06 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 2.39 2.14 0.00 53 T 7.63 4.44 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 1.21 0.00 0.00 54 S 8.55 4.22 0.00 3.89 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 55 E 8.24 4.07 0.00 2.01 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 2.40 2.34 0.00 56 G 8.14 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.13 3.99 0.00 3.44 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 58 R 8.27 3.50 0.00 2.11 2.05 0.00 3.10 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 59 Q 8.41 4.01 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 60 I 8.17 3.72 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.85 0.00 0.00 61 L 7.81 3.82 0.00 1.62 1.38 0.57 -0.06 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 62 G 7.82 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 63 Q 7.74 4.15 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 64 L 8.44 4.25 0.00 2.22 2.03 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.64 3.83 0.00 2.27 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 66 P 0.00 4.35 0.00 2.07 2.11 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 67 S 8.42 4.48 0.00 4.01 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 68 L 7.59 3.78 0.00 1.75 1.54 0.17 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.08 3.93 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.18 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 70 T 7.32 4.48 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 1.21 0.00 0.00 71 G 7.52 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 0.00 0.00 0.00 72 S 8.31 4.53 0.00 4.14 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 0.00 73 E 8.66 4.03 0.00 2.07 2.04 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 2.40 2.32 0.00 74 E 8.34 4.24 0.00 2.34 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 0.00 2.71 2.81 0.00 75 L 7.77 4.18 0.00 1.94 1.94 1.19 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.35 4.18 0.00 2.29 2.02 0.00 3.17 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 77 S 8.64 4.43 0.00 3.95 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 0.00 78 L 8.15 4.34 0.00 2.04 1.97 0.50 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 8.78 4.06 0.00 3.14 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 80 N 8.33 4.53 0.00 2.89 3.00 0.00 0.00 6.93 7.68 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 81 T 8.09 4.00 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 1.66 0.00 0.00 82 I 7.85 3.69 1.73 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 1.42 0.75 0.79 0.00 0.00 83 A 7.87 3.87 1.43 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 0.00 0.00 0.00 84 V 7.89 3.53 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 0.82 0.00 0.00 0.89 0.00 0.00 85 L 8.31 3.82 0.00 1.96 1.63 0.14 0.78 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 86 Y 8.16 4.08 0.00 3.03 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 87 C 7.96 3.71 0.00 3.16 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 88 V 7.86 3.54 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 0.88 0.00 0.00 1.06 0.00 0.00 89 H 7.72 4.74 0.00 3.24 3.23 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.62 4.11 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 1.23 1.67 0.00 91 R 8.01 3.70 0.00 1.81 1.93 0.00 3.11 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 92 I 7.73 4.20 1.84 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 1.12 0.50 0.92 0.00 0.00 93 D 8.40 4.61 0.00 2.61 2.59 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 94 V 7.51 4.31 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 0.95 0.00 0.00 95 K 8.95 4.16 0.00 1.87 1.85 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.38 7.81 96 D 7.44 5.85 0.00 2.85 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 97 T 7.88 4.02 4.38 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 1.33 0.00 0.00 98 K 8.12 4.05 0.00 1.84 1.93 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 99 E 8.32 3.97 0.00 2.06 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 2.50 0.00 100 A 7.79 4.05 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 0.00 101 L 7.94 4.18 0.00 1.94 1.82 1.09 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.20 4.41 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 3.94 0.00 2.12 2.04 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.66 7.81 104 I 7.90 3.61 2.11 0.00 0.00 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 1.80 0.66 0.95 0.00 0.00 105 E 8.43 4.07 0.00 2.32 2.06 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 2.35 2.35 0.00 106 E 8.64 4.04 0.00 2.10 2.15 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 2.34 2.37 0.00 107 E 8.39 4.02 0.00 2.02 2.03 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 2.64 2.58 0.00 108 Q 8.19 4.07 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 109 N 7.81 4.52 0.00 2.79 2.86 0.00 0.00 6.45 7.56 0.00 0.00 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 K 7.85 3.84 0.00 1.98 2.04 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 111 S 8.10 4.19 0.00 3.93 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 0.00 112 K 7.57 3.95 0.00 2.03 1.95 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 113 K 8.62 4.20 0.00 2.00 1.84 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.67 1.60 7.81 114 K 8.58 3.78 0.00 1.74 1.71 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 115 A 8.24 4.80 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 0.00 116 Q 8.78 4.36 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 117 Q 8.14 4.51 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 118 A 7.81 4.34 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 0.00 119 A 7.71 4.26 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