NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5197 8.1927 115.5551 58.3121 65.3089 171.2053 2 V 4.7405 8.2358 118.5481 61.0800 34.1771 173.5157 3 C 4.9516 9.4054 125.9839 58.3247 32.4573 174.0067 4 K 4.0285 8.8744 127.1971 55.8919 32.4130 170.2513 5 G 3.5099 8.3563 120.9600 44.7373 0.0000 173.4686 6 V 4.1496 8.2718 118.1980 59.1616 34.9338 175.2728 7 S 4.5453 7.8213 113.7436 58.2223 66.0720 176.3284 8 G 3.9074 8.6954 109.0364 46.3919 0.0000 172.5331 9 N 5.1922 8.5406 119.4774 50.2432 41.7987 172.5721 10 P 3.5940 0.0000 0.0000 62.6327 31.8835 175.7392 11 A 4.4457 9.3478 124.5350 49.6760 21.0174 176.2467 12 K 4.0246 7.7621 119.0649 57.8605 31.7864 176.7983 13 G 3.9452 9.6491 114.1564 45.2777 0.0000 172.0739 14 E 4.9917 8.1420 119.2429 54.3507 33.0563 175.2641 15 V 4.7282 8.6124 121.9487 61.3018 35.3749 173.8961 16 F 5.6165 9.0278 126.7719 56.1894 41.0123 174.5820 17 L 5.2338 9.1300 124.4656 53.2510 44.0943 175.0771 18 Y 5.1960 8.9795 121.2346 56.0264 40.5021 176.9522 19 K 4.5125 9.4525 125.3251 58.5846 32.9237 176.5175 20 H 5.0952 8.3459 115.5230 53.4207 31.4512 173.9799 21 V 3.8156 8.0056 114.1335 61.8141 31.9634 175.8879 22 N 3.2025 8.8563 115.2246 53.9865 36.3279 174.5975 23 F 2.9245 7.0244 112.6457 58.7412 36.8823 175.2090 24 Q 4.5759 7.6830 118.0592 54.9821 31.4783 176.6451 25 G 4.0089 8.4510 107.4586 44.3489 0.0000 172.6637 26 D 4.2823 8.2369 117.3733 54.9820 41.8438 176.3301 27 S 4.8922 7.5452 114.8751 56.5005 67.4313 172.4963 28 W 5.4663 8.6424 118.8663 55.2243 33.8804 173.8012 29 K 5.1903 9.4720 126.0633 54.9865 33.7089 175.1346 30 V 5.1021 9.1865 127.5560 61.4134 34.7585 174.2018 31 T 4.9783 7.5885 115.2290 59.6287 72.0878 175.4915 32 G 3.8621 8.6676 109.5623 45.9345 0.0000 172.5131 33 N 5.1247 8.6752 116.9095 51.4960 41.3078 174.6256 34 V 4.2542 8.2712 119.3389 61.3405 32.8193 175.4666 35 Y 3.6155 8.1942 125.4932 57.8944 38.5502 175.0243 36 D 4.5924 7.1440 120.5406 53.6069 42.1535 175.3077 37 F 4.1783 9.2853 127.5601 59.5488 39.0698 178.0524 38 R 4.0726 8.2520 119.6763 58.4099 29.9454 177.9031 39 S 4.1425 8.0488 111.9977 59.3588 63.5118 174.0824 40 V 4.1098 7.3292 121.7142 60.4530 32.5833 174.4812 41 S 4.1773 8.7774 122.0173 60.1565 62.3101 174.2506 42 G 3.9946 8.8635 114.5565 46.0629 0.0000 173.7112 43 L 3.2568 7.7106 123.2460 56.6353 42.4033 176.8048 44 N 4.4313 7.9974 115.8666 55.2974 38.8832 173.4635 45 D 4.5354 8.6457 123.0268 55.6325 39.0445 175.3605 46 V 4.6789 7.3097 108.4197 59.5401 34.0091 176.0511 47 V 4.2747 7.8946 121.2841 63.4799 32.0046 176.3084 48 S 4.9441 9.7854 122.6292 58.4193 66.2148 173.9008 49 S 5.2571 8.1973 112.7400 56.8460 66.7391 173.1996 50 V 5.4394 9.0849 119.8018 61.6827 35.7662 173.9148 51 K 5.1166 9.1382 123.6215 54.7152 36.3531 175.3091 52 V 4.5384 8.9472 125.2883 60.7620 34.2454 175.6504 53 G 4.2496 8.4366 115.3416 44.8193 0.0000 170.8360 54 P 4.7556 0.0000 0.0000 62.0723 32.8393 175.7537 55 N 3.4437 8.5711 114.4526 54.1554 36.6759 173.8711 56 T 4.9305 7.3784 111.4931 61.6558 73.2953 173.2052 57 K 5.0810 9.6270 125.6967 54.5978 35.7667 174.5461 58 A 5.2734 8.5655 126.5880 50.1737 22.5145 174.8942 59 F 5.2017 9.5090 121.4321 55.6968 41.4311 174.7518 60 I 4.7526 8.1851 118.5647 59.3301 39.7685 174.7585 61 F 5.1386 8.9812 124.3857 55.4234 41.5131 176.5737 62 K 4.3016 9.1579 124.0601 58.3120 32.6684 176.3696 63 D 4.9380 7.9303 118.1959 51.7755 43.5398 175.0981 64 D 4.5797 8.1843 119.6014 53.5304 40.1793 175.9688 65 R 2.8152 9.6177 116.0286 56.8792 28.0615 176.4579 66 F 2.4826 6.8053 112.0568 58.5281 36.9790 175.0442 67 N 4.8876 7.6530 116.3780 52.3635 41.0916 175.5911 68 G 4.3202 8.6557 107.8310 44.4555 0.0000 172.5725 69 N 4.6533 8.3900 116.6250 54.3916 39.9819 173.5398 70 F 5.4316 8.1417 117.6643 57.0899 40.8583 172.5900 71 I 4.5303 7.9601 110.8822 59.5410 40.9381 173.4897 72 R 4.1007 8.4478 123.9076 55.2012 31.4197 175.1609 73 L 4.6843 8.6947 127.0926 52.9137 43.9215 176.1678 74 E 4.6286 8.7331 123.4090 55.5290 30.4856 176.5007 75 E 4.5167 8.8435 119.6307 56.3711 30.4073 176.5123 76 S 4.0290 8.6153 114.3972 58.8802 61.4136 171.3462 77 S 5.1356 7.4431 112.3672 56.8780 67.0623 173.0487 78 Q 5.7624 8.5615 115.8368 56.0283 31.2907 174.0624 79 V 4.5788 8.4899 120.5334 60.2440 33.6844 176.2738 80 T 3.5241 8.7552 116.3830 63.6629 70.5410 173.6479 81 D 4.9559 7.7747 122.1636 52.8777 43.7445 175.8142 82 L 4.3079 9.4429 127.7672 56.6032 42.0851 179.6683 83 T 3.8652 8.8087 110.5690 64.6613 68.8231 176.5021 84 T 3.7999 7.6852 115.4781 64.1517 67.3684 174.5499 85 R 4.5020 7.6286 117.8102 55.4610 30.7176 175.0642 86 N 4.3420 8.4230 113.4791 54.4686 36.4117 174.3667 87 L 4.8439 7.9792 115.9863 54.3907 43.0103 176.4931 88 N 4.4480 8.4084 116.7641 54.8513 39.6296 174.2598 89 D 4.4431 9.0681 123.1988 53.7375 38.7199 174.8392 90 A 5.0500 7.2859 116.1738 52.0570 23.5500 176.5200 91 I 4.2061 7.7549 118.1358 61.4991 38.1322 176.5732 92 S 4.5543 8.9257 120.6315 57.7988 65.6896 173.2682 93 S 4.7547 6.6906 113.4078 58.5403 66.1510 173.4814 *95 I 4.4668 8.0175 119.1759 61.4416 38.5362 175.0839 96 V 4.8983 8.8820 126.8331 61.1800 33.2214 174.5363 97 A 5.0301 9.2177 129.9292 50.3205 22.1834 174.7938 98 T 5.0453 8.4972 110.8264 60.1638 72.0107 172.6751 99 F 4.9402 7.8615 117.9324 56.7088 41.3212 174.9740 100 E 4.2893 8.8673 114.4965 56.1134 29.8525 176.5201 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 S 8.19 4.52 0.00 3.91 4.12 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 2 V 8.24 4.74 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 0.75 0.00 0.00 0.75 0.00 0.00 3 C 9.41 4.95 0.00 2.87 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 4 K 8.87 4.03 0.00 1.54 1.60 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.02 7.81 5 G 8.36 3.51 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 0.00 0.00 0.00 6 V 8.27 4.15 0.67 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 0.12 0.00 0.00 0.20 0.00 0.00 7 S 7.82 4.55 0.00 3.90 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 8 G 8.70 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 0.00 0.00 0.00 9 N 8.54 5.19 0.00 2.66 2.61 0.00 0.00 6.76 8.02 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 10 P 0.00 3.59 0.00 1.84 0.60 0.00 3.51 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 11 A 9.35 4.45 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 12 K 7.76 4.02 0.00 1.62 1.70 0.00 1.51 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.39 7.81 13 G 9.65 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 0.00 0.00 0.00 14 E 8.14 4.99 0.00 1.71 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 2.22 2.29 0.00 15 V 8.61 4.73 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 1.15 0.00 0.00 0.96 0.00 0.00 16 F 9.03 5.62 0.00 3.10 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 17 L 9.13 5.23 0.00 1.77 1.78 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.98 5.20 0.00 3.11 3.15 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 0.00 19 K 9.45 4.51 0.00 2.04 1.85 0.00 1.82 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.60 7.81 20 H 8.35 5.10 0.00 3.21 3.18 0.00 5.73 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 21 V 8.01 3.82 2.09 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 0.82 0.00 0.00 0.87 0.00 0.00 22 N 8.86 3.20 0.00 2.63 2.64 0.00 0.00 7.02 7.11 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 23 F 7.02 2.92 0.00 2.87 1.70 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 24 Q 7.68 4.58 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.42 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 25 G 8.45 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 0.00 0.00 0.00 26 D 8.24 4.28 0.00 2.32 1.76 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 27 S 7.55 4.89 0.00 3.13 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 28 W 8.64 5.47 0.00 3.19 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 29 K 9.47 5.19 0.00 1.81 1.71 0.00 2.00 0.00 0.00 2.13 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.64 7.81 30 V 9.19 5.10 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 0.98 0.00 0.00 0.88 0.00 0.00 31 T 7.59 4.98 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 1.30 0.00 0.00 32 G 8.67 3.86 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 0.00 0.00 0.00 33 N 8.68 5.12 0.00 2.86 2.92 0.00 0.00 6.43 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 34 V 8.27 4.25 2.30 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 0.96 0.00 0.00 0.89 0.00 0.00 35 Y 8.19 3.62 0.00 2.62 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 36 D 7.14 4.59 0.00 2.65 2.33 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 37 F 9.29 4.18 0.00 3.04 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 38 R 8.25 4.07 0.00 2.26 1.97 0.00 3.41 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 39 S 8.05 4.14 0.00 3.83 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 40 V 7.33 4.11 1.69 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 0.75 0.00 0.00 0.70 0.00 0.00 41 S 8.78 4.18 0.00 3.88 3.84 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 42 G 8.86 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 0.00 0.00 0.00 43 L 7.71 3.26 0.00 1.23 1.47 -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.00 4.43 0.00 2.75 2.73 0.00 0.00 7.09 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 45 D 8.65 4.54 0.00 2.90 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 46 V 7.31 4.68 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 1.23 0.00 0.00 1.16 0.00 0.00 47 V 7.89 4.27 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 1.23 0.00 0.00 1.12 0.00 0.00 48 S 9.79 4.94 0.00 3.99 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 49 S 8.20 5.26 0.00 3.92 3.94 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 50 V 9.08 5.44 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 1.13 0.00 0.00 1.12 0.00 0.00 51 K 9.14 5.12 0.00 1.90 1.55 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.14 7.81 52 V 8.95 4.54 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 0.98 0.00 0.00 0.94 0.00 0.00 53 G 8.44 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 0.00 0.00 0.00 0.00 54 P 0.00 4.76 0.00 2.04 2.13 0.00 3.88 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.77 0.00 55 N 8.57 3.44 0.00 2.54 2.30 0.00 0.00 6.60 7.05 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 56 T 7.38 4.93 4.34 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 1.20 0.00 0.00 57 K 9.63 5.08 0.00 2.03 1.79 0.00 1.68 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.37 7.81 58 A 8.57 5.27 1.22 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 0.00 0.00 59 F 9.51 5.20 0.00 3.09 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 60 I 8.19 4.75 1.90 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 1.34 0.81 1.02 0.00 0.00 61 F 8.98 5.14 0.00 3.16 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 62 K 9.16 4.30 0.00 1.88 1.91 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.42 7.81 63 D 7.93 4.94 0.00 2.81 2.56 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 64 D 8.18 4.58 0.00 2.89 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 65 R 9.62 2.82 0.00 1.59 1.79 0.00 3.23 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.48 0.00 66 F 6.81 2.48 0.00 2.77 1.66 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 67 N 7.65 4.89 0.00 2.71 2.74 0.00 0.00 7.05 7.47 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 68 G 8.66 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 0.00 0.00 0.00 0.00 69 N 8.39 4.65 0.00 2.87 2.73 0.00 0.00 6.44 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 70 F 8.14 5.43 0.00 2.38 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 71 I 7.96 4.53 1.79 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 1.18 0.93 0.80 0.00 0.00 72 R 8.45 4.10 0.00 1.80 1.80 0.00 3.18 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 0.00 73 L 8.69 4.68 0.00 1.55 1.51 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.73 4.63 0.00 1.85 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 2.28 2.24 0.00 75 E 8.84 4.52 0.00 2.02 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 0.00 2.34 2.26 0.00 76 S 8.62 4.03 0.00 3.99 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 77 S 7.44 5.14 0.00 3.85 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 78 Q 8.56 5.76 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 79 V 8.49 4.58 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 0.97 0.00 0.00 1.01 0.00 0.00 80 T 8.76 3.52 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 1.12 0.00 0.00 81 D 7.77 4.96 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 9.44 4.31 0.00 1.75 1.74 1.08 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.81 3.87 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 1.25 0.00 0.00 84 T 7.69 3.80 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 1.24 0.00 0.00 85 R 7.63 4.50 0.00 1.79 1.85 0.00 3.56 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 86 N 8.42 4.34 0.00 2.84 2.89 0.00 0.00 6.64 8.50 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 87 L 7.98 4.84 0.00 1.58 1.62 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.41 4.45 0.00 2.80 2.73 0.00 0.00 7.46 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 89 D 9.07 4.44 0.00 2.87 2.84 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 90 A 7.29 5.05 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 91 I 7.75 4.21 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.91 0.52 0.00 0.00 92 S 8.93 4.55 0.00 3.69 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 93 S 6.69 4.75 0.00 3.67 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 *95 I 8.02 4.47 2.07 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.31 0.94 0.00 0.00 96 V 8.88 4.90 2.44 0.00 0.00 0.00 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 1.08 0.00 0.00 97 A 9.22 5.03 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 98 T 8.50 5.05 4.17 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 0.00 0.00 0.00 1.19 0.00 0.00 99 F 7.86 4.94 0.00 2.98 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 0.00 100 E 8.87 4.29 0.00 2.00 1.74 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 2.15 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.