NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2966 0.0000 0.0000 61.9016 32.7074 175.1812 3 V 3.5662 7.8641 119.8642 62.3875 32.5061 173.0436 *5 Q 4.3292 8.0778 118.8612 55.9875 31.0394 174.3196 6 S 5.3603 8.4197 114.8475 57.5536 66.9174 173.1296 7 R 4.6792 9.0908 120.0107 55.2993 33.6706 173.4982 8 I 4.9091 8.5361 127.4866 59.9922 38.5504 175.0762 9 I 4.4500 8.8725 129.8804 60.7745 38.3757 175.0518 10 H 5.5312 8.5944 120.9184 54.8893 31.5732 171.9950 11 L 4.6111 8.8540 119.2194 55.2304 44.2167 173.6779 12 S 5.3082 8.5197 113.7614 56.7994 65.3188 173.6297 13 V 4.4546 8.7674 121.9361 60.6063 34.1641 175.9959 14 E 4.7020 8.8443 130.5255 55.0878 28.5168 175.9481 15 K 4.6797 7.1995 118.1053 52.9103 37.0082 175.0526 16 P 4.7005 0.0000 0.0000 62.4773 33.2325 177.4951 17 W 4.7588 9.1759 130.7330 60.3049 30.7190 178.3013 18 A 3.3938 7.9992 120.4067 54.6717 17.5140 178.9028 19 E 4.1048 8.0166 114.9683 58.5158 30.0676 179.0826 20 V 3.5708 7.4889 120.0620 65.8947 31.5574 177.3521 21 Y 3.9521 7.8671 119.3734 60.7944 38.4459 177.3743 22 D 4.2623 7.8852 118.5979 57.1963 41.2538 178.5584 23 F 4.0781 7.9090 120.3711 61.3120 39.3617 177.4312 24 A 4.0043 8.0525 119.6631 54.5868 18.3032 178.0800 25 A 3.8362 7.7013 117.2183 52.5998 18.9130 176.9426 26 N 4.3442 7.5267 115.7339 51.6779 38.2890 173.9801 27 P 3.4446 0.0000 0.0000 64.5728 31.3169 178.3664 28 G 3.5129 7.5518 105.8271 47.4338 0.0000 173.7106 29 N 4.4117 7.6602 121.2298 51.5483 37.4608 174.1672 *31 P 4.3676 0.0000 0.0000 62.5273 33.9536 179.8420 32 R 4.2771 7.7845 115.8830 57.9387 30.2332 177.3627 33 W 5.0008 7.6688 111.3465 55.9322 30.5126 174.2733 34 A 4.2416 6.9418 122.1835 50.4908 18.2561 177.3602 35 A 4.0299 9.0098 126.1944 55.8090 18.2512 179.4308 36 G 3.6914 8.0348 102.3387 46.7524 0.0000 174.4045 37 L 4.5486 7.7495 119.3834 54.1636 42.4604 177.8799 38 A 4.0920 7.1704 122.9702 54.8462 18.3496 179.1374 39 G 3.8486 7.7274 100.4947 44.0849 0.0000 173.0372 40 G 4.0089 8.1769 108.0726 44.2288 0.0000 173.7531 41 L 4.6809 8.1261 120.9702 54.0098 44.7032 174.4327 42 E 4.8648 9.2930 126.6504 54.4416 31.6602 175.6791 43 A 3.1244 8.3717 126.1012 51.9411 19.3329 177.1943 44 D 4.0561 9.4292 123.3356 54.0042 42.2877 175.0459 45 G 3.9372 9.0692 115.8055 46.6881 0.0000 172.4587 46 E 3.7482 8.4577 115.4161 56.2272 26.6511 173.1952 47 D 5.2318 7.8405 118.9410 52.3659 45.6691 174.2577 48 W 5.2330 9.1940 117.9502 55.1492 33.0462 174.8913 49 I 5.0494 9.0320 122.8856 59.1971 40.9579 173.6701 50 A 5.0285 9.0542 131.1938 50.2846 20.8654 175.7179 51 K 4.6152 8.8178 121.4865 55.2010 35.2873 174.8013 52 G 4.4259 8.7295 107.5959 42.1644 0.0000 177.2040 53 G 4.0426 7.8678 110.5227 44.6681 0.0000 173.0195 54 P 4.3256 0.0000 0.0000 65.6890 31.2403 177.3334 55 L 4.2120 7.9558 115.7727 53.6358 42.0987 177.3081 56 G 4.1794 8.3269 112.7879 45.8656 0.0000 173.0837 57 E 5.1237 7.4550 117.5221 54.5887 32.7074 174.0539 58 V 4.6728 8.7027 125.9544 61.3495 35.4352 174.0451 59 R 5.1155 8.5268 125.5606 54.7489 32.7466 175.3775 60 V 4.7221 9.1095 122.1888 61.1511 34.9382 173.7487 61 N 5.3598 8.8028 124.9076 51.6609 40.9047 173.8091 62 F 5.2493 9.0392 122.1059 55.4544 41.3053 175.7110 63 A 4.3872 8.7144 123.7405 51.5236 18.7602 176.2037 64 P 4.4586 0.0000 0.0000 62.6961 32.0272 176.0480 65 H 4.3122 8.9623 117.7540 56.3306 28.8037 174.4526 66 N 5.1977 8.9609 121.3777 51.3695 40.2307 173.8773 67 E 4.2303 8.6014 114.9931 56.4520 28.5581 176.7630 68 F 4.7484 8.6455 117.5572 56.7011 39.4996 176.7577 69 G 4.1071 7.7677 107.7051 45.7664 0.0000 173.2805 70 V 4.3239 7.5971 117.0831 62.4147 31.8159 175.9495 71 I 4.8859 8.9084 129.4530 60.8096 38.4319 175.4030 72 D 4.7095 8.5866 121.1593 55.5680 42.0200 175.8006 73 H 5.2580 8.6664 116.0705 54.0399 32.7286 172.0428 74 V 4.7233 8.5626 120.6472 61.3889 33.6037 174.3625 75 V 4.7163 8.9098 128.4130 61.7007 33.7452 174.5132 76 T 4.9166 8.6655 125.3001 61.6586 69.7526 174.5349 77 L 4.3516 8.6305 127.6021 53.7398 42.2447 177.1454 78 P 4.2697 0.0000 0.0000 65.0303 31.2457 176.6795 79 D 4.5347 8.0646 117.1790 53.3501 39.8321 177.1369 80 G 3.9316 8.6873 109.4630 44.8465 0.0000 173.5446 81 L 4.1257 7.9243 123.2430 54.9912 43.2039 175.6665 82 K 4.9642 8.6455 125.8764 55.2173 33.6577 175.9416 83 V 4.3300 9.0723 125.8683 61.2306 33.8714 173.5286 84 Y 4.7838 8.7070 129.9015 56.6113 39.9388 174.0892 85 N 4.3303 8.4466 124.9236 51.0552 41.1373 173.6780 86 A 4.3989 7.5439 126.5865 50.9573 20.4457 175.6540 87 L 5.1517 8.7879 124.3121 53.4743 45.6975 175.1376 88 R 5.2796 9.2106 125.2936 54.9350 34.4226 173.4450 89 V 5.1444 9.1373 124.3145 61.4428 34.6297 174.4412 90 T 4.8720 9.0963 116.9724 58.8886 72.5902 171.4085 91 P 4.6460 0.0000 0.0000 63.3768 32.2556 175.9664 92 N 4.7550 9.1434 121.2598 52.3056 40.4445 175.2528 93 G 3.6769 8.0708 117.7854 46.7406 0.0000 172.9081 94 S 4.5077 8.9062 119.1378 58.5337 64.0524 174.2337 95 G 4.7196 8.0173 110.4912 45.6275 0.0000 171.9869 96 T 5.3188 8.5567 116.6755 61.9577 73.4243 172.6937 97 E 5.0210 9.5102 126.9662 54.6027 32.0683 174.4727 98 V 5.0054 8.9601 127.4373 61.1674 34.1538 174.4002 99 S 5.4360 9.3272 121.9458 56.6166 66.8665 172.5802 100 F 5.1832 9.6886 124.2916 56.9098 42.3153 173.8430 101 T 4.6070 8.6297 124.1278 62.2976 68.8032 174.0732 102 L 4.6327 9.2596 130.9354 54.3587 43.2776 175.1949 103 L 5.1945 8.6172 126.6176 53.1214 43.6141 176.2135 104 R 4.2340 9.0290 125.4221 55.3703 30.0745 176.3069 105 L 4.2293 8.5031 126.7533 54.0430 42.4869 176.9899 106 E 3.8276 8.5277 121.4188 58.1801 29.6027 176.6708 107 G 3.5891 8.5391 113.2186 46.4075 0.0000 172.7856 *109 T 4.1494 7.6428 115.4444 61.3630 71.4555 174.1821 110 D 4.5352 8.5826 120.9287 57.9642 40.8133 178.9329 111 E 4.0488 8.1683 118.6769 58.7097 29.6414 178.4336 112 D 4.3599 7.8925 119.0534 57.1835 40.9688 178.2204 113 F 4.3278 8.7232 121.5879 61.3942 39.3204 176.7328 114 E 3.7603 8.4429 118.9268 59.3707 29.4548 178.5621 115 Q 3.8914 8.1693 119.5744 58.9705 29.0553 177.7282 116 D 4.1682 8.3442 119.1414 57.3248 41.3308 177.9863 117 A 3.7960 7.7434 121.2670 55.2560 18.1529 179.5369 118 S 3.9511 8.2609 111.5496 61.3983 62.4317 176.2273 119 A 4.0226 7.9832 123.4978 54.6937 18.1942 179.7656 120 I 3.3965 7.6998 118.4628 64.7228 37.0608 178.3420 121 T 3.8397 7.8563 116.4796 67.0491 68.1449 176.3700 122 A 4.0141 7.5482 120.5228 54.9185 18.3875 179.1711 123 D 4.8143 7.5601 118.0900 57.1286 41.3519 178.5778 124 L 4.2412 8.2140 119.5880 57.5117 41.4470 179.7604 125 E 4.0994 8.3548 116.7589 56.8021 29.3660 178.5625 *127 L 4.0429 7.9524 123.3828 54.8547 44.1769 178.8078 128 K 3.8457 7.8351 119.0648 59.4776 32.2261 179.0608 129 S 4.0626 7.7764 115.3569 61.3724 62.5031 176.4143 130 L 3.8633 7.6693 121.4450 58.2567 42.0025 178.6487 131 L 3.7815 7.3321 117.2675 57.2395 41.6063 178.6656 132 E 4.1581 7.8922 116.9080 57.8259 29.7231 176.9344 133 A 4.2465 7.6086 124.8252 52.3035 18.5934 176.8757 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 P 0.00 4.30 0.00 2.04 2.06 0.00 3.64 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 1.91 2.07 0.00 3 V 7.86 3.57 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 0.76 0.00 0.00 0.92 0.00 0.00 *5 Q 8.08 4.33 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 6 S 8.42 5.36 0.00 3.97 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 7 R 9.09 4.68 0.00 2.13 1.83 0.00 3.12 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 8 I 8.54 4.91 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 1.41 0.79 1.02 0.00 0.00 9 I 8.87 4.45 1.95 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 1.38 0.92 0.90 0.00 0.00 10 H 8.59 5.53 0.00 3.24 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.85 4.61 0.00 1.74 1.75 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.52 5.31 0.00 3.89 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 13 V 8.77 4.45 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 0.90 0.00 0.00 0.87 0.00 0.00 14 E 8.84 4.70 0.00 1.96 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 2.29 2.40 0.00 15 K 7.20 4.68 0.00 1.67 1.59 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.38 7.81 16 P 0.00 4.70 0.00 2.18 2.04 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 17 W 9.18 4.76 0.00 3.36 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 18 A 8.00 3.39 1.15 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 0.00 0.00 19 E 8.02 4.10 0.00 2.18 2.19 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 2.49 2.31 0.00 20 V 7.49 3.57 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 0.95 0.00 0.00 0.97 0.00 0.00 21 Y 7.87 3.95 0.00 2.88 2.58 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 22 D 7.89 4.26 0.00 2.76 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 23 F 7.91 4.08 0.00 3.15 2.91 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 24 A 8.05 4.00 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 25 A 7.70 3.84 0.35 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 26 N 7.53 4.34 0.00 2.68 2.46 0.00 0.00 7.12 7.38 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 27 P 0.00 3.44 0.00 0.49 0.49 0.00 3.32 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.00 28 G 7.55 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 29 N 7.66 4.41 0.00 2.56 2.16 0.00 0.00 6.81 8.12 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 *31 P 0.00 4.37 0.00 2.14 2.16 0.00 3.36 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 32 R 7.78 4.28 0.00 2.21 2.18 0.00 3.16 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 33 W 7.67 5.00 0.00 3.56 3.31 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 34 A 6.94 4.24 0.60 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 0.00 0.00 0.00 35 A 9.01 4.03 1.34 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 36 G 8.03 3.69 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 0.00 0.00 0.00 37 L 7.75 4.55 0.00 1.64 1.55 0.73 1.01 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 38 A 7.17 4.09 1.32 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 39 G 7.73 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 40 G 8.18 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 41 L 8.13 4.68 0.00 1.59 1.52 1.07 0.68 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 42 E 9.29 4.86 0.00 2.04 1.85 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 2.28 2.35 0.00 43 A 8.37 3.12 0.41 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 44 D 9.43 4.06 0.00 2.55 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 0.00 0.00 0.00 0.00 45 G 9.07 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 0.00 0.00 0.00 46 E 8.46 3.75 0.00 2.15 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 2.13 2.28 0.00 47 D 7.84 5.23 0.00 2.68 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 48 W 9.19 5.23 0.00 3.42 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 49 I 9.03 5.05 1.90 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 1.19 1.93 0.97 0.00 0.00 50 A 9.05 5.03 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 51 K 8.82 4.62 0.00 1.62 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.57 7.81 52 G 8.73 4.43 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 0.00 53 G 7.87 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 54 P 0.00 4.33 0.00 2.19 2.19 0.00 3.88 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 1.98 1.98 0.00 55 L 7.96 4.21 0.00 1.66 1.74 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.33 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 0.00 0.00 0.00 0.00 57 E 7.45 5.12 0.00 1.95 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 2.20 2.23 0.00 58 V 8.70 4.67 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 1.02 0.00 0.00 0.94 0.00 0.00 59 R 8.53 5.12 0.00 1.81 1.84 0.00 3.13 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 60 V 9.11 4.72 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 0.35 0.00 0.00 0.91 0.00 0.00 61 N 8.80 5.36 0.00 2.74 2.74 0.00 0.00 6.58 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 62 F 9.04 5.25 0.00 3.02 3.03 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 63 A 8.71 4.39 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.46 0.00 2.30 2.18 0.00 3.89 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 65 H 8.96 4.31 0.00 3.25 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.96 5.20 0.00 3.02 2.96 0.00 0.00 7.00 7.28 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 67 E 8.60 4.23 0.00 1.41 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 2.15 2.22 0.00 68 F 8.65 4.75 0.00 3.26 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 69 G 7.77 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 70 V 7.60 4.32 2.41 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 0.98 0.00 0.00 1.06 0.00 0.00 71 I 8.91 4.89 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.22 1.03 0.00 0.00 72 D 8.59 4.71 0.00 2.79 2.66 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 73 H 8.67 5.26 0.00 2.60 2.72 0.00 5.23 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.56 4.72 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 0.95 0.00 0.00 1.09 0.00 0.00 75 V 8.91 4.72 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 0.91 0.00 0.00 0.93 0.00 0.00 76 T 8.67 4.92 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 77 L 8.63 4.35 0.00 1.92 1.60 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.27 0.00 2.18 2.32 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 79 D 8.06 4.53 0.00 2.81 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 80 G 8.69 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 0.00 0.00 0.00 81 L 7.92 4.13 0.00 1.76 1.57 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.65 4.96 0.00 1.69 1.76 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.43 7.81 83 V 9.07 4.33 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 0.98 0.00 0.00 0.96 0.00 0.00 84 Y 8.71 4.78 0.00 2.98 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 85 N 8.45 4.33 0.00 2.00 1.80 0.00 0.00 6.44 7.04 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 86 A 7.54 4.40 1.15 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 0.00 0.00 87 L 8.79 5.15 0.00 1.73 1.51 1.30 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 88 R 9.21 5.28 0.00 1.97 1.76 0.00 3.16 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 89 V 9.14 5.14 2.34 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 1.25 0.00 0.00 1.04 0.00 0.00 90 T 9.10 4.87 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 1.25 0.00 0.00 91 P 0.00 4.65 0.00 1.93 1.87 0.00 3.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.37 0.00 92 N 9.14 4.75 0.00 2.63 2.69 0.00 0.00 6.92 7.89 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 93 G 8.07 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 94 S 8.91 4.51 0.00 4.00 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 95 G 8.02 4.72 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 0.00 0.00 0.00 96 T 8.56 5.32 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 1.40 0.00 0.00 97 E 9.51 5.02 0.00 2.05 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 0.00 2.25 2.34 0.00 98 V 8.96 5.01 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 0.97 0.00 0.00 0.93 0.00 0.00 99 S 9.33 5.44 0.00 3.95 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 0.00 100 F 9.69 5.18 0.00 3.20 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 0.00 101 T 8.63 4.61 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 1.24 0.00 0.00 102 L 9.26 4.63 0.00 2.01 1.87 1.20 0.05 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 0.00 103 L 8.62 5.19 0.00 1.64 1.63 1.03 1.03 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 0.00 104 R 9.03 4.23 0.00 0.67 1.58 0.00 2.21 0.00 0.00 2.90 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.35 0.00 105 L 8.50 4.23 0.00 1.70 1.60 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.53 3.83 0.00 1.95 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 2.30 2.31 0.00 107 G 8.54 3.59 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 0.00 0.00 0.00 *109 T 7.64 4.15 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 1.23 0.00 0.00 110 D 8.58 4.54 0.00 2.82 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 0.00 111 E 8.17 4.05 0.00 2.06 1.96 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 2.39 2.41 0.00 112 D 7.89 4.36 0.00 3.05 2.76 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 0.00 113 F 8.72 4.33 0.00 3.11 3.26 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 0.00 114 E 8.44 3.76 0.00 2.24 1.93 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 2.30 2.33 0.00 115 Q 8.17 3.89 0.00 2.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 116 D 8.34 4.17 0.00 2.99 2.64 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 0.00 117 A 7.74 3.80 1.07 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 0.00 0.00 0.00 118 S 8.26 3.95 0.00 3.97 3.97 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 0.00 0.00 0.00 119 A 7.98 4.02 1.32 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 0.00 120 I 7.70 3.40 1.72 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.35 0.36 0.00 0.00 121 T 7.86 3.84 4.36 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 1.18 0.00 0.00 122 A 7.55 4.01 1.27 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 0.00 0.00 0.00 123 D 7.56 4.81 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.21 4.24 0.00 1.86 1.72 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.35 4.10 0.00 2.14 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 2.32 2.60 0.00 *127 L 7.95 4.04 0.00 1.02 1.52 0.17 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.84 3.85 0.00 1.95 1.94 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.49 7.81 129 S 7.78 4.06 0.00 3.84 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 0.00 130 L 7.67 3.86 0.00 1.54 1.45 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.33 3.78 0.00 1.59 1.51 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 132 E 7.89 4.16 0.00 1.99 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 2.26 2.32 0.00 133 A 7.61 4.25 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 * Residues marked with a * may have inaccurate shift predictions.