NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7224 8.1476 118.3422 55.4532 33.7827 173.2163 2 I 4.7196 8.7697 111.5473 59.0544 41.6963 172.4902 3 I 5.0311 8.8285 123.6089 59.5543 40.7856 176.1835 4 V 4.9701 9.0567 125.8274 61.3080 34.6317 173.3062 5 Y 5.4186 9.2466 129.3773 56.3095 41.1289 174.2109 6 T 5.2525 8.3635 119.4035 60.6434 71.5475 172.1055 7 T 4.9246 7.8758 114.0674 59.8048 72.0793 172.8475 8 F 4.6006 8.7825 120.7522 54.8473 42.7957 174.5741 9 P 4.2920 0.0000 0.0000 64.9787 31.9277 175.9360 10 D 4.4412 7.2183 117.6689 51.2260 42.9883 176.2046 11 W 3.9732 8.5026 119.4102 59.5538 29.0113 178.1714 12 E 3.9198 8.3463 119.1769 59.5715 29.0683 179.0741 13 S 3.9996 8.7943 114.2625 61.0686 63.0981 176.1615 14 A 2.0000 7.3510 123.9558 54.3707 18.1055 179.5496 15 E 3.8865 8.4182 117.4098 59.0909 29.4388 179.5697 16 K 3.8340 7.8703 119.7715 59.4758 32.2660 179.0225 17 V 3.5253 7.5163 118.3413 66.1073 31.4320 178.3591 18 V 3.6312 7.5865 112.0629 64.4365 31.2987 178.7638 19 K 3.9914 8.1204 118.1804 59.6916 31.8361 179.5854 20 T 3.8635 7.9079 116.0747 66.6797 68.2952 176.7829 21 L 4.0566 8.1881 121.0109 57.6588 41.5983 179.6284 22 L 4.0020 8.0908 119.2421 57.6771 41.3519 179.5931 23 K 4.0213 8.2211 117.9242 59.1151 32.0874 178.3652 24 E 4.2523 8.0465 115.9612 55.4904 30.1071 176.3582 25 R 3.8669 7.8894 117.8196 57.2255 28.2667 177.8819 26 L 4.2126 8.1365 118.0622 56.0970 42.2628 177.0530 27 I 4.8878 7.5179 109.9433 58.1753 40.3539 174.9840 28 A 4.1173 8.9955 124.2881 53.2417 19.5947 177.4657 *30 A 4.4726 7.8331 115.5954 52.0082 20.2993 175.8669 31 N 5.0912 9.2034 116.8253 51.5073 41.7881 173.6358 32 L 5.5478 8.7749 123.6390 53.0381 44.7750 176.1179 33 R 5.0524 8.7082 118.0173 54.9683 33.0739 174.5217 34 E 4.6915 9.1148 120.7220 57.1796 30.7379 175.1546 35 H 4.8472 8.7256 115.5299 55.2851 32.5684 172.4080 36 R 4.9710 8.7690 117.7709 54.5243 31.8565 175.6166 37 A 4.9644 9.1429 126.2201 50.4114 21.7208 175.5285 38 F 5.0917 8.5149 118.7399 55.9110 42.5316 173.8075 39 Y 4.7138 7.7643 119.5351 56.1382 41.7142 172.9433 40 W 4.8914 9.2375 120.0970 56.3726 30.2339 176.5595 41 W 5.1803 9.7491 134.3483 57.3478 32.9937 174.4553 42 E 3.3453 9.4326 127.0373 57.3507 26.3158 175.6442 43 G 4.1080 9.4398 107.2791 44.8455 0.0000 173.4525 44 K 5.1034 7.8770 117.7530 55.0461 36.7542 175.6795 45 I 3.9890 7.9008 121.7855 61.3106 37.7002 175.4723 46 E 4.6613 9.0184 125.3352 54.4137 34.1350 173.9272 47 E 4.3745 8.3986 122.1771 54.3500 31.8785 174.8195 48 D 4.7765 8.6072 125.8648 52.1889 45.4568 174.5480 49 K 4.4453 8.5643 123.7369 56.2900 33.2842 175.4899 50 E 4.8327 9.1542 125.6614 54.6524 34.8978 174.2583 51 V 4.1157 8.3567 120.0319 61.0338 33.9917 174.5951 52 G 4.3663 8.9888 115.9837 45.2561 0.0000 172.0523 53 A 5.4271 8.8461 124.9294 49.9700 22.4362 174.8826 54 I 4.8618 9.1507 124.2072 59.8587 39.2889 174.7380 55 L 5.0969 9.3614 127.9130 52.9175 44.4820 175.7424 56 K 5.1309 8.5709 121.5498 55.1924 34.8667 175.2256 57 T 4.6066 8.4393 118.3064 61.3582 71.4113 172.7033 58 R 4.2526 8.5254 120.4865 55.7118 30.9726 177.8605 59 E 4.0735 8.7873 120.4466 59.5246 29.2743 179.2625 60 D 4.5157 8.0889 117.5134 55.4746 39.9950 177.3465 61 L 4.4185 7.6601 119.6318 54.5221 41.8369 177.8204 62 W 4.5667 7.9633 130.1893 61.0031 30.6090 177.4471 63 E 3.3929 8.1592 117.4513 59.2922 29.0133 179.0179 64 E 3.8259 7.9644 118.6318 59.0822 29.7558 178.4079 65 L 3.8860 8.2233 120.8129 57.9361 42.1652 178.7635 66 K 3.4856 7.9756 119.8298 59.5163 32.0268 178.6638 67 E 3.8904 7.9672 118.7366 59.1480 29.2371 179.3647 68 R 4.0538 7.8732 118.9604 59.4947 30.1442 178.6901 69 I 3.7605 7.9293 119.7787 64.2172 36.8301 178.4712 70 K 3.9873 7.7831 118.6630 59.5132 31.9017 178.9276 71 E 4.1201 7.7446 117.4825 59.2538 29.5670 178.8209 72 L 4.2500 7.9521 117.4150 55.7641 42.3337 177.1841 73 H 4.2541 8.1262 119.6367 55.3369 30.2865 173.5870 74 P 4.4086 0.0000 0.0000 65.6348 31.5826 176.6560 75 Y 4.6235 7.8858 116.1567 57.4813 38.5168 175.1601 76 D 4.5019 8.9358 123.6630 56.7646 41.5989 176.3859 77 V 4.2663 7.2644 118.0018 60.1081 31.5282 172.6595 78 P 4.3890 0.0000 0.0000 61.3388 33.0010 175.9668 79 A 4.4018 8.0726 120.6885 51.0792 20.3219 176.3378 80 I 4.3810 8.4489 123.4554 59.4556 39.0518 173.5973 81 I 4.4542 8.9389 127.5462 59.4399 39.2371 174.4025 82 R 4.5623 8.3058 127.8987 54.7727 31.2573 175.2611 83 I 4.4301 8.5573 127.2546 59.2696 40.1319 174.8210 84 D 4.6073 8.6613 127.4945 54.2620 41.6517 176.1305 85 V 4.0055 7.8798 123.1304 61.9397 31.6695 175.8672 86 D 4.4822 8.8877 128.5134 57.3366 41.1002 175.8542 87 D 4.6762 7.6253 114.8273 53.6107 43.9464 174.2757 88 V 4.4978 7.9022 121.1780 58.8419 34.0798 174.0383 89 N 4.4061 8.7100 120.1277 53.3601 38.5760 175.6677 90 E 4.0380 9.0299 124.0314 59.8527 29.5552 179.3836 91 D 4.4699 8.1655 118.4438 56.4906 39.3845 177.9552 92 Y 4.0072 8.0469 120.6329 60.3716 38.8952 177.1421 93 L 4.0660 8.0034 121.0855 58.2385 42.2184 179.0540 94 K 3.9436 8.2149 118.3355 59.2157 31.9705 179.0909 95 W 4.3369 7.9774 129.6292 59.8910 30.1203 177.7155 96 L 3.1873 8.1538 120.4555 58.0536 41.2393 179.0859 97 I 3.6987 7.6709 118.9654 64.3002 37.0193 177.9630 98 E 4.0141 8.0876 119.5039 59.2538 29.0590 178.8913 99 E 3.8633 7.6408 117.2340 57.2118 29.7568 176.9550 100 T 4.6169 6.3916 108.4342 59.6935 70.6585 175.0026 101 K 3.9729 8.5052 122.4536 57.4209 33.2447 176.9749 102 K 4.2208 8.4392 119.9082 56.8173 31.7959 176.9086 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 M 8.15 4.72 0.00 2.20 2.52 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 2 I 8.77 4.72 1.81 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.90 0.00 0.00 3 I 8.83 5.03 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.02 0.97 0.00 0.00 4 V 9.06 4.97 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 1.26 0.00 0.00 1.22 0.00 0.00 5 Y 9.25 5.42 0.00 2.94 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 6 T 8.36 5.25 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 1.05 0.00 0.00 7 T 7.88 4.92 4.28 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 0.96 0.00 0.00 8 F 8.78 4.60 0.00 2.71 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 9 P 0.00 4.29 0.00 2.12 2.08 0.00 3.52 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 10 D 7.22 4.44 0.00 2.93 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 11 W 8.50 3.97 0.00 3.40 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.35 3.92 0.00 2.01 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 0.00 2.37 2.32 0.00 13 S 8.79 4.00 0.00 3.95 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 14 A 7.35 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.42 3.89 0.00 2.01 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 2.46 2.68 0.00 16 K 7.87 3.83 0.00 2.01 1.84 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 17 V 7.52 3.53 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 1.19 0.00 0.00 1.01 0.00 0.00 18 V 7.59 3.63 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 0.72 0.00 0.00 0.98 0.00 0.00 19 K 8.12 3.99 0.00 1.82 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 20 T 7.91 3.86 4.39 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 1.20 0.00 0.00 21 L 8.19 4.06 0.00 1.87 1.74 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.09 4.00 0.00 1.88 1.72 0.96 0.71 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 23 K 8.22 4.02 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.77 7.81 24 E 8.05 4.25 0.00 1.95 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 2.30 2.55 0.00 25 R 7.89 3.87 0.00 1.99 2.00 0.00 3.07 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 26 L 8.14 4.21 0.00 1.63 1.73 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.52 4.89 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.30 0.98 0.00 0.00 28 A 9.00 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 A 7.83 4.47 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 31 N 9.20 5.09 0.00 2.73 2.79 0.00 0.00 7.00 7.40 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 32 L 8.77 5.55 0.00 1.75 1.66 1.02 0.95 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 33 R 8.71 5.05 0.00 1.98 2.12 0.00 3.05 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 34 E 9.11 4.69 0.00 2.04 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 0.00 2.39 2.97 0.00 35 H 8.73 4.85 0.00 3.25 3.45 0.00 5.24 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.77 4.97 0.00 1.88 1.82 0.00 3.31 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 37 A 9.14 4.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.51 5.09 0.00 2.82 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 39 Y 7.76 4.71 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 40 W 9.24 4.89 0.00 3.35 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 41 W 9.75 5.18 0.00 3.52 3.06 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 42 E 9.43 3.35 0.00 1.90 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 1.47 1.47 0.00 43 G 9.44 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 0.00 0.00 0.00 0.00 44 K 7.88 5.10 0.00 1.79 1.98 0.00 1.35 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.48 7.81 45 I 7.90 3.99 1.48 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 -0.36 0.68 0.00 0.00 46 E 9.02 4.66 0.00 1.52 1.55 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 2.19 2.43 0.00 47 E 8.40 4.37 0.00 1.46 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 1.63 1.47 0.00 48 D 8.61 4.78 0.00 2.52 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.56 4.45 0.00 1.74 1.68 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.48 7.81 50 E 9.15 4.83 0.00 1.68 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 2.30 2.29 0.00 51 V 8.36 4.12 1.60 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 -0.42 0.00 0.00 52 G 8.99 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.85 5.43 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 0.00 0.00 0.00 0.00 0.00 0.00 54 I 9.15 4.86 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 1.01 0.00 0.00 55 L 9.36 5.10 0.00 1.66 1.67 1.04 0.79 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 56 K 8.57 5.13 0.00 1.94 1.93 0.00 1.71 0.00 0.00 1.93 0.00 0.00 3.23 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.59 7.81 57 T 8.44 4.61 4.31 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 1.33 0.00 0.00 58 R 8.53 4.25 0.00 1.97 1.95 0.00 3.17 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 59 E 8.79 4.07 0.00 2.04 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 2.40 2.31 0.00 60 D 8.09 4.52 0.00 2.86 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 61 L 7.66 4.42 0.00 1.86 1.76 0.98 0.75 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 62 W 7.96 4.57 0.00 3.36 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 63 E 8.16 3.39 0.00 1.96 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 2.48 2.33 0.00 64 E 7.96 3.83 0.00 1.99 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 2.34 2.32 0.00 65 L 8.22 3.89 0.00 1.81 1.87 0.95 0.75 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 66 K 7.98 3.49 0.00 0.79 1.10 0.00 1.58 0.00 0.00 1.15 0.00 0.00 2.48 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.09 1.02 7.81 67 E 7.97 3.89 0.00 2.05 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 2.33 2.36 0.00 68 R 7.87 4.05 0.00 2.03 2.03 0.00 3.22 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 69 I 7.93 3.76 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.58 0.95 0.00 0.00 70 K 7.78 3.99 0.00 1.88 1.85 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.63 7.81 71 E 7.74 4.12 0.00 2.10 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 0.00 2.32 2.63 0.00 72 L 7.95 4.25 0.00 1.65 1.74 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.13 4.25 0.00 3.28 3.21 0.00 5.95 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.41 0.00 2.11 2.12 0.00 3.53 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 1.67 1.92 0.00 75 Y 7.89 4.62 0.00 2.85 2.68 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 76 D 8.94 4.50 0.00 2.70 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 77 V 7.26 4.27 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 0.88 0.00 0.00 0.94 0.00 0.00 78 P 0.00 4.39 0.00 1.72 1.45 0.00 3.75 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 1.85 1.82 0.00 79 A 8.07 4.40 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.45 4.38 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 1.01 0.00 0.00 81 I 8.94 4.45 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.95 0.00 0.00 82 R 8.31 4.56 0.00 0.67 0.72 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.06 0.00 83 I 8.56 4.43 1.83 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 1.19 0.82 0.86 0.00 0.00 84 D 8.66 4.61 0.00 2.50 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 0.00 0.00 0.00 0.00 85 V 7.88 4.01 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 0.77 0.00 0.00 0.95 0.00 0.00 86 D 8.89 4.48 0.00 2.70 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 87 D 7.63 4.68 0.00 2.59 2.48 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 0.00 88 V 7.90 4.50 2.12 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 0.83 0.00 0.00 1.00 0.00 0.00 89 N 8.71 4.41 0.00 3.10 3.02 0.00 0.00 6.10 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 90 E 9.03 4.04 0.00 2.07 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 0.00 2.44 2.42 0.00 91 D 8.17 4.47 0.00 2.92 2.98 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 92 Y 8.05 4.01 0.00 3.07 3.23 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 93 L 8.00 4.07 0.00 1.90 1.92 1.00 1.32 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 94 K 8.21 3.94 0.00 2.07 1.89 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.75 7.81 95 W 7.98 4.34 0.00 3.27 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 96 L 8.15 3.19 0.00 1.73 1.80 1.12 1.30 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 97 I 7.67 3.70 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.88 0.00 0.00 98 E 8.09 4.01 0.00 1.99 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 2.29 2.57 0.00 99 E 7.64 3.86 0.00 1.16 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 1.47 1.47 0.00 100 T 6.39 4.62 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 1.14 0.00 0.00 101 K 8.51 3.97 0.00 1.74 2.07 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.42 7.81 102 K 8.44 4.22 0.00 1.65 1.74 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.