NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1253 8.0131 121.4574 63.7046 38.4978 173.0543 5 G 4.0122 9.1138 113.0971 43.5253 0.0000 170.2195 6 R 4.8808 9.1717 119.2462 54.9962 35.9624 174.5034 7 T 4.5621 8.5243 108.9586 62.2297 70.4497 173.5848 8 C 5.3481 7.6800 122.4174 57.7400 34.5086 172.8537 9 W 4.9520 9.5522 125.3529 54.7815 32.7749 174.2359 10 A 5.2928 8.8116 123.6110 50.2731 22.0439 175.6556 11 I 4.5160 9.1581 121.0272 59.5843 39.7841 176.4236 12 A 4.1092 8.8239 130.0986 53.2748 18.9534 176.4861 13 E 4.5870 7.8049 116.4053 54.3484 32.4555 174.7178 14 G 3.3442 8.5355 113.3627 44.6434 0.0000 170.6071 15 Y 4.9690 8.4579 119.7949 56.4469 43.1617 173.0507 16 I 4.3727 7.7049 127.3759 58.5300 39.6342 173.5350 17 P 4.5152 0.0000 0.0000 61.9248 32.0940 174.7667 18 P 4.3733 0.0000 0.0000 62.9957 31.2263 177.0742 *31 E 4.3261 7.9764 120.0604 57.7219 31.0154 174.0049 32 T 5.0533 8.8402 122.1863 61.7127 73.5283 173.2077 33 V 4.7328 8.2511 118.7821 59.8104 34.3532 174.4339 34 C 4.5941 8.9936 123.9573 58.4545 29.8426 172.7377 35 I 4.7300 8.5969 124.6577 59.2103 40.1895 174.2575 36 L 4.8003 8.9605 128.1317 53.2719 45.1778 174.5800 37 N 5.1045 8.9567 125.4203 52.0031 39.5209 174.5939 38 A 4.2602 8.6676 127.6117 52.6199 18.8934 177.5807 39 G 3.9541 7.9433 105.7456 44.7674 0.0000 174.1139 40 D 4.7270 8.4487 116.9125 54.4036 41.2921 176.4268 41 E 4.8219 7.6225 118.4831 54.1439 32.1101 175.6997 42 D 4.6953 8.6998 122.1984 54.5609 42.1310 175.5522 43 A 4.5714 9.2846 124.7880 51.0611 20.5207 176.1170 44 H 5.0486 9.5798 121.8783 55.0170 29.5903 174.4909 45 V 4.6071 8.9717 124.4792 61.2656 34.1170 174.5551 46 E 5.1931 9.3521 125.6569 54.9358 33.1599 174.4747 47 I 5.0240 9.2218 126.2727 59.9995 39.9682 174.9981 48 T 5.0832 9.0134 122.4756 61.9066 71.9574 172.8521 49 I 4.7536 8.9343 127.4680 60.1252 39.2243 174.5012 50 Y 4.8758 8.9943 124.4870 56.5702 40.9599 174.2423 51 Y 5.3124 8.4524 118.1107 56.3137 41.9943 175.7622 52 S 4.4524 9.1193 114.6757 60.4925 63.6274 174.8016 53 D 4.8208 8.0683 116.5932 52.6174 40.8580 174.2696 54 K 4.6557 7.7570 117.4859 55.3248 35.6369 175.4182 55 E 4.2151 8.5132 118.9542 55.4707 29.9237 175.5909 56 P 4.4863 0.0000 0.0000 62.7480 32.1733 175.7141 57 V 4.2794 9.8206 119.6808 59.7291 33.4600 176.2851 58 G 3.7752 7.9664 113.7334 44.1563 0.0000 169.5033 59 P 4.7729 0.0000 0.0000 62.7567 32.6814 175.5311 60 Y 4.6090 9.5023 120.7973 56.7375 39.1708 174.5338 61 R 5.3187 8.6499 123.6808 54.4800 32.5325 175.4143 62 L 4.7487 8.8721 122.1674 54.9479 44.6193 174.3493 63 T 5.0914 8.4496 116.1966 61.8924 70.8085 173.9593 64 V 4.2496 8.7754 127.1585 60.4493 33.0500 173.4224 65 P 4.9055 0.0000 0.0000 62.0909 32.1620 176.1089 66 A 3.9188 8.8663 123.9231 52.5295 18.8012 177.9277 67 R 3.8967 8.4984 121.1544 57.3545 28.4450 176.2466 68 R 4.8806 7.5543 113.8551 54.8012 35.1027 175.0714 69 T 4.8672 8.3536 110.9103 60.8380 71.2935 173.9127 70 K 4.5729 8.9200 122.9695 55.5379 35.9741 174.2295 71 H 5.1159 8.8549 124.4703 54.6370 30.5604 174.5918 72 V 4.2420 8.4621 122.8621 61.0132 34.1393 174.7415 73 R 4.6733 8.4208 127.6602 55.2926 30.7804 177.5147 74 F 4.2637 9.0066 122.9657 60.6019 39.1369 177.2879 75 N 4.4197 8.2604 117.5887 55.9757 38.8859 174.9915 76 D 4.6547 8.1671 116.6182 54.9161 41.3406 176.8569 77 L 4.2815 7.5457 121.2002 54.8746 41.9678 177.5009 78 N 5.1197 8.7079 115.8000 52.8618 40.5886 173.6293 79 D 4.6046 8.1372 119.0816 51.9448 43.0695 173.7671 80 P 4.2925 0.0000 0.0000 64.7234 31.9945 176.0812 81 A 4.5559 7.2020 118.7400 50.2181 21.6210 174.0210 82 P 4.7373 0.0000 0.0000 62.1738 31.9723 176.2851 83 I 4.0000 8.1589 122.0959 60.0540 37.5543 174.4333 84 P 4.3795 0.0000 0.0000 63.0187 31.7169 175.9144 85 H 4.5045 8.5678 117.6653 55.5569 29.7268 173.8825 86 D 4.1609 8.7421 117.4676 54.0640 39.9232 173.8959 87 T 4.7753 7.4318 112.1792 61.7932 72.3794 173.7281 88 D 5.0356 8.9755 127.0377 54.2873 41.8803 175.4895 89 F 5.0776 8.5846 116.8534 55.2984 42.3530 172.6655 90 A 5.1938 8.9152 119.9235 50.1784 23.0098 175.0445 91 S 5.3123 9.2355 112.7593 56.9824 67.0072 173.1837 92 V 4.9172 9.0756 122.2168 61.2993 34.1334 174.1234 93 I 5.0379 9.2145 128.6808 59.7752 39.8558 174.5578 94 Q 5.2806 9.2345 126.0124 54.2853 32.2430 174.6898 95 S 5.3379 9.0731 115.8216 55.7840 65.4015 173.8529 96 N 4.6616 9.0497 121.9652 55.0294 37.7908 175.1168 97 V 4.6520 7.4322 111.6687 58.4064 35.6791 173.9280 98 P 4.6756 0.0000 0.0000 63.0509 31.8631 175.6550 99 I 4.9274 9.0886 116.7310 59.2465 42.1295 173.8703 100 V 4.5106 8.5982 121.8246 60.9195 34.0284 174.2511 101 V 4.4311 5.9771 126.5505 60.7693 34.2566 174.1789 102 Q 4.4489 8.6631 127.9139 54.4747 32.3687 173.0688 103 H 5.2834 8.9201 126.4304 55.2239 31.4158 174.7433 104 T 4.1894 8.9508 115.6924 61.7647 68.8297 173.9180 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 4 I 8.01 4.13 1.90 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 1.37 1.09 0.95 0.00 0.00 5 G 9.11 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 6 R 9.17 4.88 0.00 1.02 1.43 0.00 2.69 0.00 0.00 2.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.41 0.00 7 T 8.52 4.56 4.49 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 1.29 0.00 0.00 8 C 7.68 5.35 0.00 2.93 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 9 W 9.55 4.95 0.00 3.35 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 10 A 8.81 5.29 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 11 I 9.16 4.52 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.96 0.75 0.00 0.00 12 A 8.82 4.11 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 13 E 7.80 4.59 0.00 1.81 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 2.09 2.25 0.00 14 G 8.54 3.34 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 0.00 15 Y 8.46 4.97 0.00 2.89 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 4.37 1.65 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.08 0.59 0.00 0.00 17 P 0.00 4.52 0.00 2.25 2.24 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 18 P 0.00 4.37 0.00 2.23 2.20 0.00 3.90 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 2.02 0.00 *31 E 7.98 4.33 0.00 2.40 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 2.51 2.92 0.00 32 T 8.84 5.05 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 1.17 0.00 0.00 33 V 8.25 4.73 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 0.74 0.00 0.00 0.66 0.00 0.00 34 C 8.99 4.59 0.00 2.67 2.69 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 35 I 8.60 4.73 1.79 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 0.94 0.72 0.82 0.00 0.00 36 L 8.96 4.80 0.00 1.62 1.40 0.91 0.44 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 37 N 8.96 5.10 0.00 2.87 2.80 0.00 0.00 6.70 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 38 A 8.67 4.26 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 39 G 7.94 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 40 D 8.45 4.73 0.00 2.68 2.71 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 41 E 7.62 4.82 0.00 1.81 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 2.21 2.30 0.00 42 D 8.70 4.70 0.00 2.51 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 43 A 9.28 4.57 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 44 H 9.58 5.05 0.00 3.10 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.97 4.61 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 1.00 0.00 0.00 1.00 0.00 0.00 46 E 9.35 5.19 0.00 1.94 1.86 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 2.26 2.31 0.00 47 I 9.22 5.02 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 1.06 0.00 0.00 48 T 9.01 5.08 4.41 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 0.91 0.00 0.00 49 I 8.93 4.75 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.20 0.00 0.00 50 Y 8.99 4.88 0.00 2.81 2.87 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 51 Y 8.45 5.31 0.00 3.06 2.87 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 52 S 9.12 4.45 0.00 4.04 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 0.00 53 D 8.07 4.82 0.00 2.77 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 54 K 7.76 4.66 0.00 1.79 1.74 0.00 1.24 0.00 0.00 1.50 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.34 7.81 55 E 8.51 4.22 0.00 1.99 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 2.34 2.26 0.00 56 P 0.00 4.49 0.00 1.62 0.91 0.00 3.72 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 1.87 1.88 0.00 57 V 9.82 4.28 2.31 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 0.96 0.00 0.00 1.01 0.00 0.00 58 G 7.97 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 59 P 0.00 4.77 0.00 2.12 2.09 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 60 Y 9.50 4.61 0.00 2.93 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 61 R 8.65 5.32 0.00 1.69 1.85 0.00 3.21 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 62 L 8.87 4.75 0.00 1.73 1.73 0.91 0.45 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 63 T 8.45 5.09 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 1.31 0.00 0.00 64 V 8.78 4.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 65 P 0.00 4.91 0.00 1.97 1.97 0.00 3.76 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 2.02 2.10 0.00 66 A 8.87 3.92 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 67 R 8.50 3.90 0.00 2.01 2.03 0.00 3.11 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 68 R 7.55 4.88 0.00 1.78 1.73 0.00 3.26 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.54 0.00 69 T 8.35 4.87 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 1.20 0.00 0.00 70 K 8.92 4.57 0.00 1.77 1.60 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.40 7.81 71 H 8.85 5.12 0.00 3.01 3.14 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.46 4.24 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 0.77 0.00 0.00 0.83 0.00 0.00 73 R 8.42 4.67 0.00 2.10 1.85 0.00 3.21 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 74 F 9.01 4.26 0.00 3.17 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 75 N 8.26 4.42 0.00 2.69 2.88 0.00 0.00 6.96 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 76 D 8.17 4.65 0.00 2.79 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 77 L 7.55 4.28 0.00 1.56 1.35 0.47 0.61 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 78 N 8.71 5.12 0.00 2.80 2.90 0.00 0.00 5.82 8.06 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 79 D 8.14 4.60 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.04 1.96 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 81 A 7.20 4.56 1.21 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 0.00 0.00 0.00 82 P 0.00 4.74 0.00 2.21 2.10 0.00 3.39 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 83 I 8.16 4.00 1.69 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.36 0.39 0.00 0.00 84 P 0.00 4.38 0.00 2.19 2.03 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.85 0.00 85 H 8.57 4.50 0.00 3.11 3.20 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.74 4.16 0.00 2.70 2.71 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 87 T 7.43 4.78 4.58 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 1.48 0.00 0.00 88 D 8.98 5.04 0.00 2.64 2.73 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 89 F 8.58 5.08 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 5.19 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 91 S 9.24 5.31 0.00 4.10 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 92 V 9.08 4.92 2.38 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 1.16 0.00 0.00 0.96 0.00 0.00 93 I 9.21 5.04 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.98 0.00 0.00 94 Q 9.23 5.28 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 95 S 9.07 5.34 0.00 3.92 3.83 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 96 N 9.05 4.66 0.00 2.80 2.98 0.00 0.00 5.86 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 97 V 7.43 4.65 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 0.70 0.00 0.00 0.93 0.00 0.00 98 P 0.00 4.68 0.00 2.08 2.14 0.00 3.65 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 2.06 2.12 0.00 99 I 9.09 4.93 1.92 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 1.41 1.03 0.94 0.00 0.00 100 V 8.60 4.51 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 0.73 0.00 0.00 1.02 0.00 0.00 101 V 5.98 4.43 0.74 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 0.62 0.00 0.00 0.30 0.00 0.00 102 Q 8.66 4.45 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.64 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 103 H 8.92 5.28 0.00 3.21 3.22 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.95 4.19 4.19 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 1.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.