NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1616 8.1114 123.5812 52.2554 20.0748 177.9519 3 G 3.8596 8.5389 106.7929 46.6409 0.0000 171.3878 4 E 4.0401 8.2611 120.7243 56.5428 31.0429 175.4433 5 T 4.4086 8.2758 118.6586 62.2987 69.7169 173.3499 6 V 4.7340 8.2207 127.0573 61.5782 32.8653 175.0023 7 I 4.8100 8.9702 120.5984 59.5398 41.5924 173.8763 8 T 5.1403 8.4755 119.3592 61.8976 70.5749 173.9554 9 V 4.5099 9.0585 126.0624 60.9624 35.1424 174.2364 10 V 4.7549 8.1074 125.7870 61.3468 34.1942 175.2211 11 G 3.9104 8.0956 114.4098 46.0561 0.0000 170.9521 12 N 5.3786 7.6553 116.5024 51.2796 41.3551 174.9313 13 L 4.5062 8.5725 123.2620 55.1733 42.0279 178.4973 14 V 4.0768 9.2973 125.2621 65.3653 32.1249 175.4496 15 D 4.8052 7.8697 117.1321 51.2955 42.2687 174.3879 16 D 4.4287 8.5326 119.6491 54.0412 41.3075 175.0984 17 P 4.6957 0.0000 0.0000 62.8265 32.4758 175.2158 18 E 4.5377 9.3195 124.9407 54.4862 31.5548 174.1148 19 L 4.8431 8.4593 129.3607 53.8453 43.6622 175.3395 20 R 4.8362 8.6812 124.2713 54.5449 35.0931 173.7275 21 F 5.3245 8.5783 117.1865 56.0704 42.7586 175.6816 22 T 4.4183 8.8207 112.6246 60.1542 69.9267 173.9382 23 P 4.2746 0.0000 0.0000 65.7532 31.2874 178.2254 24 S 4.2113 8.0267 110.6344 59.5708 63.2629 174.9381 25 G 3.9753 8.4963 109.8247 45.1679 0.0000 173.1996 26 A 4.2547 8.0883 123.3803 51.4484 19.0842 177.6658 27 A 4.1280 8.5979 125.1771 51.9627 20.1275 176.8016 28 V 4.3005 8.1154 119.5352 60.0921 34.9735 173.3464 29 A 5.1100 8.7304 127.2043 49.8266 21.8365 174.9979 30 K 5.0019 8.5433 121.2432 54.7012 35.8416 175.2856 31 F 5.0471 8.1417 116.2635 56.1955 41.7756 172.4478 32 R 5.0177 8.8591 120.5394 54.8023 32.3961 174.7129 33 V 4.8481 8.9067 126.2771 61.2114 34.1249 173.9423 34 A 4.4850 8.8706 130.1912 50.1813 21.0226 175.2091 35 S 4.8571 8.9548 118.6501 57.0465 64.5833 172.9771 36 T 4.6626 8.2899 124.4462 61.2814 69.7189 172.8706 37 P 4.6275 0.0000 0.0000 62.5206 32.9851 175.7593 38 R 5.3943 8.3983 119.3351 54.9407 34.4546 174.7254 39 T 5.0440 9.3378 112.0846 59.8091 72.3716 172.7301 40 F 3.7152 8.3656 127.0195 57.8213 40.2710 174.0298 41 D 4.3728 8.1665 127.3232 52.6600 41.0035 176.9067 42 R 4.0075 8.4850 127.7834 58.9282 30.5248 177.6881 43 Q 4.1161 8.0865 115.3937 58.3122 29.0468 176.6362 44 T 4.1128 7.9498 106.2971 60.5398 69.6414 173.6794 45 N 3.9531 7.7018 119.8375 54.4246 37.9916 173.3313 46 E 4.6912 6.6096 114.0899 54.0871 34.7032 175.5937 47 W 4.6807 8.9388 123.4107 56.6899 29.9877 175.6250 48 K 4.7124 9.3125 125.0388 54.6669 34.2932 175.2564 49 D 5.0077 8.7984 124.5219 54.0761 41.9260 176.9305 50 G 4.0615 8.6926 111.2370 44.9126 0.0000 172.5120 51 E 4.2728 8.6277 120.6787 55.9435 30.2375 177.0968 52 S 4.4616 8.5716 122.1185 58.4885 64.1314 173.1983 53 L 4.5205 9.0172 126.5661 54.0776 43.2471 175.0216 54 F 5.2913 9.0054 125.0169 55.9039 41.1239 175.2699 55 L 4.8774 8.7265 122.2559 53.2725 46.1642 175.7215 56 T 4.4934 8.6780 120.4710 63.5900 69.7756 173.3188 57 C 5.1753 9.1617 125.0614 57.8285 31.3184 173.0921 58 S 5.0637 8.7146 116.3735 56.4109 65.8599 173.1818 59 V 4.9007 8.5984 122.9794 59.6591 34.3180 174.4926 60 W 5.0543 8.7123 121.4114 55.2156 32.1625 177.4141 61 R 3.9413 9.1797 121.1071 57.5880 28.1825 178.8638 62 Q 3.9754 8.9910 123.6214 60.3976 28.8842 177.5456 63 A 3.9942 8.2193 120.9821 55.3351 18.2693 179.1662 64 A 3.9224 8.0096 118.4282 55.4957 18.4766 179.6344 65 E 3.9073 7.9510 117.0855 59.6218 29.6715 179.2493 66 N 4.3478 8.5392 116.9593 56.2106 38.4595 177.6792 67 V 3.4808 8.3097 119.8025 66.0337 31.4945 177.9641 68 A 3.9212 7.7210 119.0487 55.0804 18.1811 178.7695 69 E 4.0762 8.1180 117.0402 58.4693 29.8268 177.9728 70 S 4.4894 7.7106 113.3787 58.2705 64.5477 174.4032 71 L 4.6109 7.4263 120.1879 53.0832 43.4309 175.5579 72 Q 4.6272 7.8952 119.3046 53.3084 32.9289 174.4021 73 R 3.9572 8.6981 119.2197 58.6147 30.1620 176.4294 74 G 4.0264 9.0479 114.2819 45.4231 0.0000 173.7142 75 M 4.2665 7.7732 119.4918 55.1990 33.5217 175.4733 76 R 4.8435 8.3974 122.2136 55.7710 31.9735 175.5054 77 V 4.9664 9.2006 118.5066 59.5669 36.7188 174.0524 78 I 4.9843 8.5229 122.0907 59.4053 40.7698 174.5589 79 V 4.9882 9.0727 122.5805 59.5845 35.2949 174.2721 80 Q 5.0274 8.8125 126.3411 54.4677 31.9588 174.9204 81 G 4.0410 8.3064 110.6782 46.5389 0.0000 171.2835 82 R 5.0360 8.1660 119.5597 54.5746 31.7248 176.1208 83 L 4.4930 9.1088 127.7818 54.9115 42.6566 176.1697 84 K 5.0116 9.6373 125.4392 54.5973 36.5917 175.1226 85 Q 5.4644 8.8003 119.2450 53.7380 31.6957 174.2158 86 R 4.6711 8.0565 116.4959 54.9224 33.3788 174.2372 87 S 5.4489 8.3083 114.9198 58.1506 63.6081 174.4338 *96 R 4.1277 8.2063 121.7930 56.2598 31.0792 174.7121 97 T 5.3431 7.9315 108.8191 59.4906 71.4975 173.2572 98 V 4.1854 7.5026 114.6217 60.6180 36.6407 172.7692 99 Y 5.0566 8.2756 118.9453 58.0180 39.2893 175.0298 100 E 4.8637 9.7299 121.2760 55.2534 34.1496 173.5727 101 L 4.9978 8.9489 128.3206 53.5447 44.2558 175.3288 102 D 5.1562 9.0422 128.0287 53.3083 40.7651 175.3798 103 V 4.0474 8.4600 123.9563 63.3805 31.4571 175.2724 104 D 4.8069 9.1297 127.9271 55.8083 42.3717 176.7320 105 E 4.8881 7.9064 118.3724 54.7656 33.2473 174.2612 106 V 4.9847 8.5661 125.5636 59.9179 34.4957 174.9435 107 G 4.2966 9.1378 110.5008 44.0595 0.0000 171.5244 108 A 4.6009 8.5174 124.8997 51.2099 18.9660 177.4649 109 S 4.1730 8.6421 118.7529 58.3157 63.1172 173.9970 110 L 4.7604 8.2467 124.0448 53.7320 42.0426 177.2048 111 R 4.0716 7.8201 121.5556 59.2080 30.0943 177.9904 112 S 4.6561 7.5582 110.3471 56.2897 62.6290 172.8626 113 A 4.5254 7.6657 121.0773 52.6097 21.9492 175.8252 114 T 4.5404 8.1976 109.1189 59.8112 71.5820 173.4539 115 A 4.6062 7.9868 123.1414 50.4608 22.1291 175.8079 116 K 4.3269 8.5645 121.0886 55.1581 32.9142 176.4377 117 V 4.3163 8.2022 123.8687 61.2966 33.1431 174.9938 118 T 4.5725 8.1478 122.2274 61.3373 71.4316 174.1539 119 K 3.9980 8.6565 125.9400 57.6713 32.8556 177.1687 120 T 3.7484 8.4243 116.7482 64.3278 68.4047 172.1183 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 2 A 8.11 4.16 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 3 G 8.54 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 4 E 8.26 4.04 0.00 1.84 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 2.42 0.00 5 T 8.28 4.41 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 1.22 0.00 0.00 6 V 8.22 4.73 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 0.85 0.00 0.00 0.93 0.00 0.00 7 I 8.97 4.81 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.90 0.00 0.00 8 T 8.48 5.14 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 9 V 9.06 4.51 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 0.97 0.00 0.00 0.92 0.00 0.00 10 V 8.11 4.75 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 0.86 0.00 0.00 0.91 0.00 0.00 11 G 8.10 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 12 N 7.66 5.38 0.00 2.62 2.69 0.00 0.00 7.46 6.04 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 13 L 8.57 4.51 0.00 1.56 1.68 0.64 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 V 9.30 4.08 2.23 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 0.88 0.00 0.00 1.19 0.00 0.00 15 D 7.87 4.81 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.43 0.00 2.69 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 17 P 0.00 4.70 0.00 1.93 2.08 0.00 3.59 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 18 E 9.32 4.54 0.00 1.99 1.79 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 2.16 2.20 0.00 19 L 8.46 4.84 0.00 1.59 1.49 0.63 0.92 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 20 R 8.68 4.84 0.00 1.54 1.75 0.00 3.29 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 21 F 8.58 5.32 0.00 2.86 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 22 T 8.82 4.42 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 1.50 0.00 0.00 23 P 0.00 4.27 0.00 2.10 2.20 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 2.07 2.13 0.00 24 S 8.03 4.21 0.00 4.02 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 0.00 25 G 8.50 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 26 A 8.09 4.25 1.48 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 0.00 0.00 27 A 8.60 4.13 1.11 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 28 V 8.12 4.30 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 0.00 0.00 0.48 0.00 0.00 -0.15 0.00 0.00 29 A 8.73 5.11 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 30 K 8.54 5.00 0.00 1.59 1.54 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.65 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.08 1.15 7.81 31 F 8.14 5.05 0.00 3.09 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 32 R 8.86 5.02 0.00 1.98 1.96 0.00 3.12 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 33 V 8.91 4.85 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 0.94 0.00 0.00 1.21 0.00 0.00 34 A 8.87 4.49 0.64 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 0.00 0.00 35 S 8.95 4.86 0.00 3.84 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 36 T 8.29 4.66 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 1.25 0.00 0.00 37 P 0.00 4.63 0.00 2.10 1.97 0.00 3.55 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 38 R 8.40 5.39 0.00 1.58 2.05 0.00 2.98 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 39 T 9.34 5.04 4.30 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 1.32 0.00 0.00 40 F 8.37 3.72 0.00 1.51 2.43 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 41 D 8.17 4.37 0.00 2.49 2.32 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 42 R 8.48 4.01 0.00 2.10 1.93 0.00 3.40 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.19 0.00 43 Q 8.09 4.12 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 44 T 7.95 4.11 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 1.14 0.00 0.00 45 N 7.70 3.95 0.00 2.84 2.87 0.00 0.00 6.90 7.44 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 46 E 6.61 4.69 0.00 1.72 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 0.00 2.27 2.43 0.00 47 W 8.94 4.68 0.00 3.24 3.19 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 48 K 9.31 4.71 0.00 1.74 1.71 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.26 7.81 49 D 8.80 5.01 0.00 2.59 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 50 G 8.69 4.06 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 0.00 0.00 0.00 51 E 8.63 4.27 0.00 1.98 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 2.37 2.41 0.00 52 S 8.57 4.46 0.00 3.82 3.35 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 53 L 9.02 4.52 0.00 1.70 1.61 0.90 1.11 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 54 F 9.01 5.29 0.00 2.93 2.99 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 55 L 8.73 4.88 0.00 1.62 1.51 0.95 0.47 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 56 T 8.68 4.49 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 1.15 0.00 0.00 57 C 9.16 5.18 0.00 1.55 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 0.00 0.00 0.00 0.00 58 S 8.71 5.06 0.00 3.48 3.73 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 59 V 8.60 4.90 2.17 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 0.99 0.00 0.00 1.01 0.00 0.00 60 W 8.71 5.05 0.00 3.14 3.21 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 61 R 9.18 3.94 0.00 2.13 1.64 0.00 3.20 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 62 Q 8.99 3.98 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 63 A 8.22 3.99 1.38 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 0.00 0.00 0.00 64 A 8.01 3.92 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 65 E 7.95 3.91 0.00 2.11 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 2.34 2.55 0.00 66 N 8.54 4.35 0.00 2.87 2.87 0.00 0.00 6.68 7.36 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 67 V 8.31 3.48 2.25 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 0.97 0.00 0.00 1.04 0.00 0.00 68 A 7.72 3.92 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 69 E 8.12 4.08 0.00 2.20 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 2.31 2.34 0.00 70 S 7.71 4.49 0.00 3.87 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 71 L 7.43 4.61 0.00 1.39 1.35 0.63 1.01 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 72 Q 7.90 4.63 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 73 R 8.70 3.96 0.00 1.90 1.88 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 74 G 9.05 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 75 M 7.77 4.27 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 76 R 8.40 4.84 0.00 1.93 1.74 0.00 3.07 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 77 V 9.20 4.97 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 0.50 0.00 0.00 0.94 0.00 0.00 78 I 8.52 4.98 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.77 0.94 0.00 0.00 79 V 9.07 4.99 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 0.79 0.00 0.00 1.04 0.00 0.00 80 Q 8.81 5.03 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 81 G 8.31 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 0.00 0.00 0.00 0.00 82 R 8.17 5.04 0.00 1.77 1.87 0.00 3.12 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 83 L 9.11 4.49 0.00 1.61 1.61 1.02 0.63 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 84 K 9.64 5.01 0.00 1.65 1.65 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.52 7.81 85 Q 8.80 5.46 0.00 1.52 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 86 R 8.06 4.67 0.00 1.88 2.01 0.00 3.01 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 87 S 8.31 5.45 0.00 3.87 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 *96 R 8.21 4.13 0.00 1.84 1.85 0.00 3.21 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 97 T 7.93 5.34 4.07 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 0.00 0.00 0.00 1.15 0.00 0.00 98 V 7.50 4.19 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 0.61 0.00 0.00 0.89 0.00 0.00 99 Y 8.28 5.06 0.00 2.92 2.88 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 0.00 100 E 9.73 4.86 0.00 2.00 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 2.24 2.44 0.00 101 L 8.95 5.00 0.00 1.68 1.48 0.93 1.31 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 0.00 102 D 9.04 5.16 0.00 2.89 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 0.00 103 V 8.46 4.05 2.25 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 0.91 0.00 0.00 0.95 0.00 0.00 104 D 9.13 4.81 0.00 2.60 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 0.00 105 E 7.91 4.89 0.00 2.07 1.75 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 2.30 2.39 0.00 106 V 8.57 4.98 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 0.85 0.00 0.00 0.97 0.00 0.00 107 G 9.14 4.30 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 0.00 108 A 8.52 4.60 1.20 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 0.00 0.00 109 S 8.64 4.17 0.00 3.89 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 0.00 110 L 8.25 4.76 0.00 1.64 1.64 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.82 4.07 0.00 1.76 1.94 0.00 3.16 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 112 S 7.56 4.66 0.00 3.93 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 0.00 113 A 7.67 4.53 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 0.00 114 T 8.20 4.54 4.23 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 1.20 0.00 0.00 115 A 7.99 4.61 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 0.00 116 K 8.56 4.33 0.00 1.74 1.76 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.35 7.81 117 V 8.20 4.32 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 0.82 0.00 0.00 0.92 0.00 0.00 118 T 8.15 4.57 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 0.00 119 K 8.66 4.00 0.00 2.00 1.75 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.44 1.04 7.81 120 T 8.42 3.75 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.