NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8877 8.5245 117.7991 51.7157 40.2516 175.7465 3 L 4.0173 8.2087 116.3862 57.0420 40.9347 181.2998 4 P 4.5613 0.0000 0.0000 62.4701 32.8141 176.7004 5 T 4.2448 9.2971 114.0336 60.8093 71.2178 175.6230 6 A 3.9647 8.4943 122.4052 55.6394 18.2733 179.8960 7 Q 3.9585 7.9696 115.8900 59.0529 28.7570 178.5804 8 E 3.9355 7.7818 119.3011 58.9315 29.3443 179.5782 9 V 3.0165 7.5724 118.4838 65.9007 31.6187 177.9826 10 Q 4.0740 7.9099 117.7186 58.9118 28.5751 179.2870 11 G 3.5497 7.9178 106.4327 47.7464 0.0000 175.6471 12 L 3.9824 7.9215 122.1985 57.8407 41.5695 179.7145 13 M 4.2151 8.4429 118.6931 58.3466 31.7233 178.7604 14 A 4.0598 8.2606 121.0888 54.9481 18.4184 179.7106 15 R 4.0897 8.0323 118.8864 58.9599 30.1298 177.8756 16 Y 3.9699 8.0875 119.4795 61.0217 38.7901 178.4811 17 I 3.5022 7.6753 120.1343 64.1441 36.5911 178.3429 18 E 3.9195 7.7991 119.5950 59.4413 29.3322 179.3833 19 L 3.9447 7.8816 119.1685 57.7112 41.3838 179.7973 20 V 3.4752 7.3430 117.4801 65.5662 31.4424 177.3834 21 D 4.4169 7.6828 117.2579 57.4583 41.2588 178.3507 22 V 3.8805 7.6620 110.8018 61.8024 31.6904 176.9122 23 G 3.7893 7.8691 106.3169 46.8778 0.0000 174.9359 24 D 4.5722 7.7183 120.3017 52.1022 38.9270 175.3981 25 I 3.6252 7.8479 125.2356 64.3152 37.5248 177.2355 26 E 3.9530 8.2006 118.1775 59.3268 29.0513 179.1891 27 A 4.0548 7.8239 119.9540 54.8973 18.7097 179.5437 28 I 3.7399 7.6342 118.5386 64.5469 37.1900 178.7346 29 V 3.7636 7.9599 119.2433 66.1201 31.1005 177.7349 30 Q 4.1425 7.8277 117.7667 58.8385 29.1049 177.5253 31 M 4.2362 8.1369 119.6916 57.0562 32.0511 176.0247 32 Y 4.6497 7.2252 115.4617 56.7884 39.2762 175.3341 33 A 4.3137 8.9335 126.0922 51.7854 19.2514 178.6132 34 D 4.4959 8.8569 119.6754 55.7591 39.3529 177.6395 35 D 5.0814 7.8280 117.5321 52.5624 40.0442 175.8359 36 A 4.6142 7.9712 121.6706 53.1702 20.1311 177.3198 37 T 5.6064 8.5056 108.6281 59.0830 72.2065 173.2321 38 V 4.7708 8.0426 122.4885 61.2111 35.1425 173.7962 39 E 4.6542 9.1929 127.3518 54.7686 31.8356 174.8156 40 D 4.8668 8.0805 124.6701 52.3044 43.8677 173.1184 41 P 4.4668 0.0000 0.0000 61.6441 32.8661 175.9870 42 F 4.1356 8.6246 125.6173 58.7044 39.6091 174.2419 43 G 3.2767 7.7157 118.2332 45.9589 0.0000 174.1518 44 Q 4.1622 7.3323 119.0292 53.8582 29.6810 173.7648 45 P 4.3324 0.0000 0.0000 62.0599 31.9726 174.6223 46 P 4.5080 0.0000 0.0000 62.7619 32.3281 175.5000 47 I 4.4219 8.2911 123.2327 59.9496 39.4970 174.4933 48 H 5.1857 8.9443 122.6945 55.0718 32.0416 173.7524 49 G 4.1424 9.0424 109.2681 46.1901 0.0000 174.7945 50 R 3.8887 8.2678 120.7036 58.9846 30.0059 179.1588 51 E 3.8998 8.1402 118.5770 59.5420 29.6868 178.6755 52 Q 4.0516 8.0493 117.3763 59.0238 28.7680 178.8612 53 I 3.7054 8.1134 120.8127 64.3720 37.1571 178.2052 54 A 4.1241 8.6234 121.6783 55.1906 18.1486 179.4933 55 A 3.9583 8.1690 119.1428 55.2580 18.6083 179.2911 56 F 4.0939 8.5603 119.4608 62.0348 39.3363 176.9977 57 Y 3.7747 8.5045 116.3923 60.8360 37.7454 178.6803 58 R 3.8696 8.5821 120.0654 59.5913 30.0553 178.3230 59 Q 4.0517 8.3255 118.4680 58.6340 29.0129 177.7663 60 G 3.7083 7.4725 104.1470 45.1099 0.0000 174.7815 61 L 4.8280 7.8898 120.2114 55.0342 43.1731 176.6407 62 G 3.5999 7.8672 108.2604 46.5666 0.0000 171.6732 63 G 3.7206 7.9777 123.1748 46.4126 0.0000 174.0688 *65 K 4.3203 7.4445 120.7762 52.5374 34.3218 177.8214 66 V 4.9681 7.6589 117.1158 61.1929 33.7212 175.3143 67 R 4.9971 9.0234 125.5761 54.6864 34.2040 174.1779 68 A 5.3279 9.0595 122.1404 51.3802 22.7897 175.3505 69 C 4.7597 8.6949 112.0929 57.0512 33.2743 173.8086 70 L 4.6870 8.7365 121.3050 55.5235 41.7622 177.2222 71 T 4.5226 8.2828 110.9949 61.0129 69.3993 173.5473 72 G 4.0112 7.3594 109.3658 44.4225 0.0000 171.2933 73 P 4.4623 0.0000 0.0000 62.2033 32.0257 175.8077 74 V 4.0028 8.0675 119.2986 62.4997 32.4749 175.2265 75 R 4.5263 9.1535 127.7293 55.2005 31.3885 175.3277 76 A 5.0828 8.5036 125.0998 50.4811 22.1452 175.6882 77 S 4.5713 8.6562 117.8492 57.6080 65.5373 174.1518 78 H 4.8774 8.7359 117.4473 56.2733 28.7719 174.9050 79 N 4.8792 7.9850 116.5775 52.6502 37.6220 175.4119 80 G 3.9489 8.3979 104.8943 47.0245 0.0000 173.1176 81 C 5.3178 7.7246 116.6649 58.2303 31.2428 172.9094 82 G 4.6358 9.1160 107.4498 45.5595 0.0000 171.6162 83 A 5.9400 9.5572 121.5916 50.2481 23.2071 175.2807 84 M 5.2382 8.6927 117.2266 53.2756 35.3201 171.7242 85 P 5.5572 0.0000 0.0000 61.5887 34.2438 173.8519 86 F 5.4099 8.8757 116.3610 56.2152 42.0652 172.5047 87 R 4.9856 8.9860 119.5725 54.4805 33.2465 174.2228 88 V 4.8973 8.7399 125.3992 61.1177 34.4500 173.8600 89 E 5.2352 9.4298 127.7620 54.8567 32.1609 175.0151 90 M 5.7255 9.2082 121.5225 52.5593 35.8575 174.0795 91 V 4.4376 8.2952 117.9534 61.1444 33.4005 175.4438 92 A 4.1847 9.5264 133.6787 51.4935 17.9182 176.8890 93 N 4.0721 9.7210 123.0718 55.1627 36.3186 174.1008 94 G 4.0506 8.4358 107.8428 46.2128 0.0000 174.1639 95 Q 4.2749 8.3455 119.4637 53.1947 28.5067 176.1649 96 P 4.8321 0.0000 0.0000 61.9933 31.9861 175.7455 97 C 5.2156 9.8408 121.5828 58.0966 33.2294 172.7942 98 A 5.1718 8.8807 121.0129 50.3301 22.8322 175.0016 99 L 5.0113 8.9625 121.9363 53.4482 45.5267 174.8633 100 D 5.0256 8.5268 126.5296 53.3999 41.8453 176.1138 101 V 4.7095 8.4229 122.7010 61.1347 36.0908 174.0804 102 I 5.5142 8.1701 122.3890 58.8169 41.0425 174.0486 103 D 5.6835 9.3134 126.4861 52.6615 43.9619 175.2623 104 V 4.6459 9.0413 122.9376 61.4733 33.9153 174.1876 105 M 5.2421 9.3709 127.4172 53.3972 35.9410 174.4376 106 R 4.8268 8.5633 122.6010 54.6714 32.5991 174.6154 107 F 5.1317 9.2226 125.7672 56.2743 41.1991 175.5194 108 D 4.9749 9.2766 122.6470 51.8543 41.6587 176.9126 109 E 4.0802 8.9560 115.6632 59.0236 29.4659 177.1763 110 H 4.6330 8.4689 115.4325 55.3058 28.9401 175.1526 111 G 3.9494 8.2963 107.0069 46.3299 0.0000 174.0348 112 R 4.8399 8.7586 118.3263 53.8146 32.6471 175.5780 113 I 3.5231 8.3434 122.2689 61.5214 37.4484 176.6249 114 Q 4.4202 9.2307 130.0685 58.1847 30.5834 175.5853 115 T 5.2218 7.4638 107.3819 60.4068 72.5180 172.6531 116 M 5.2677 8.9191 122.6053 54.0925 36.3110 173.7670 117 Q 5.0816 9.1831 123.3491 54.2161 33.1553 173.7190 118 A 5.6641 8.9501 125.9768 49.8996 21.2410 174.8202 119 Y 4.9039 9.3796 121.6645 56.2961 39.7378 175.2581 120 W 4.5843 8.5121 121.0459 57.2094 30.4173 173.3087 121 S 4.3698 8.1192 113.8895 57.5179 64.9222 174.8645 122 E 4.1486 8.7641 117.1156 59.1279 29.3013 178.9392 123 V 3.8352 7.4893 111.6685 63.3057 31.6864 176.1510 124 N 4.9245 8.4706 117.0150 53.0290 39.7191 174.9002 125 L 4.7811 7.9325 119.6135 54.5290 43.2325 176.5600 126 S 4.6252 8.6958 114.9344 57.4159 66.4960 173.9548 127 V 4.4494 8.4577 125.6857 62.1508 33.5410 176.4659 *128 R 4.1503 8.2906 120.7316 56.4502 29.9981 175.8377 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 N 8.52 4.89 0.00 2.76 2.80 0.00 0.00 6.57 6.90 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 3 L 8.21 4.02 0.00 1.74 1.63 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.56 0.00 1.83 1.78 0.00 3.60 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 1.95 2.01 0.00 5 T 9.30 4.24 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 1.23 0.00 0.00 6 A 8.49 3.96 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 7 Q 7.97 3.96 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 8 E 7.78 3.94 0.00 2.10 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 2.25 0.00 9 V 7.57 3.02 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 1.07 0.00 0.00 0.83 0.00 0.00 10 Q 7.91 4.07 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 11 G 7.92 3.55 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 0.00 0.00 0.00 12 L 7.92 3.98 0.00 1.46 1.65 0.42 1.23 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 13 M 8.44 4.22 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.81 0.00 14 A 8.26 4.06 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 15 R 8.03 4.09 0.00 1.91 2.14 0.00 3.15 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 16 Y 8.09 3.97 0.00 3.11 3.17 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 0.00 17 I 7.68 3.50 1.96 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 0.85 0.00 0.00 18 E 7.80 3.92 0.00 2.18 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 2.30 2.51 0.00 19 L 7.88 3.94 0.00 1.57 1.53 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.34 3.48 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 0.81 0.00 0.00 0.40 0.00 0.00 21 D 7.68 4.42 0.00 2.90 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 22 V 7.66 3.88 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 0.75 0.00 0.00 1.00 0.00 0.00 23 G 7.87 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.72 4.57 0.00 2.68 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 25 I 7.85 3.63 1.88 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 1.68 0.61 0.96 0.00 0.00 26 E 8.20 3.95 0.00 2.00 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 2.41 2.39 0.00 27 A 7.82 4.05 1.39 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 0.00 0.00 0.00 28 I 7.63 3.74 1.72 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.78 0.30 0.00 0.00 29 V 7.96 3.76 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 1.05 0.00 0.00 1.03 0.00 0.00 30 Q 7.83 4.14 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.14 4.24 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.61 0.00 32 Y 7.23 4.65 0.00 3.16 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 33 A 8.93 4.31 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 34 D 8.86 4.50 0.00 2.85 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 35 D 7.83 5.08 0.00 2.79 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 36 A 7.97 4.61 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.51 5.61 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 1.21 0.00 0.00 38 V 8.04 4.77 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 0.84 0.00 0.00 0.74 0.00 0.00 39 E 9.19 4.65 0.00 2.01 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 2.09 2.17 0.00 40 D 8.08 4.87 0.00 2.71 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 41 P 0.00 4.47 0.00 1.50 0.60 0.00 3.47 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.15 0.00 42 F 8.62 4.14 0.00 2.37 2.37 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 43 G 7.72 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 0.00 0.00 0.00 44 Q 7.33 4.16 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 45 P 0.00 4.33 0.00 2.11 1.97 0.00 3.66 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 1.90 1.92 0.00 46 P 0.00 4.51 0.00 1.76 1.86 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 47 I 8.29 4.42 1.60 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.54 0.85 0.00 0.00 48 H 8.94 5.19 0.00 2.91 3.16 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.04 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.27 3.89 0.00 1.85 2.04 0.00 3.17 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 51 E 8.14 3.90 0.00 2.05 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 2.40 2.43 0.00 52 Q 8.05 4.05 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 53 I 8.11 3.71 1.94 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.75 0.00 0.00 54 A 8.62 4.12 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 55 A 8.17 3.96 1.43 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 56 F 8.56 4.09 0.00 3.09 3.25 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 57 Y 8.50 3.77 0.00 3.09 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 58 R 8.58 3.87 0.00 1.98 1.94 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 59 Q 8.33 4.05 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 60 G 7.47 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 0.00 0.00 0.00 61 L 7.89 4.83 0.00 1.82 1.71 0.94 1.24 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 62 G 7.87 3.60 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 0.00 63 G 7.98 3.72 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 *65 K 7.44 4.32 0.00 1.72 1.87 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 66 V 7.66 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 0.97 0.00 0.00 0.96 0.00 0.00 67 R 9.02 5.00 0.00 1.71 1.75 0.00 3.33 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 68 A 9.06 5.33 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 69 C 8.69 4.76 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 70 L 8.74 4.69 0.00 1.70 1.86 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.28 4.52 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 1.25 0.00 0.00 72 G 7.36 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 73 P 0.00 4.46 0.00 2.20 2.08 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.07 4.00 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 0.87 0.00 0.00 0.96 0.00 0.00 75 R 9.15 4.53 0.00 1.97 1.83 0.00 3.26 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 76 A 8.50 5.08 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.66 4.57 0.00 3.82 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 78 H 8.74 4.88 0.00 3.14 3.28 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.98 4.88 0.00 2.82 2.88 0.00 0.00 6.19 7.00 0.00 0.00 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 8.40 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 81 C 7.72 5.32 0.00 3.06 2.85 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 82 G 9.12 4.64 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 0.00 83 A 9.56 5.94 1.17 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 0.00 0.00 0.00 84 M 8.69 5.24 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.63 0.00 85 P 0.00 5.56 0.00 2.17 2.23 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.98 0.00 86 F 8.88 5.41 0.00 3.30 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 87 R 8.99 4.99 0.00 1.99 1.80 0.00 3.04 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 88 V 8.74 4.90 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 0.87 0.00 0.00 1.03 0.00 0.00 89 E 9.43 5.24 0.00 1.87 1.81 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 2.20 2.21 0.00 90 M 9.21 5.73 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 91 V 8.30 4.44 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 0.81 0.00 0.00 0.92 0.00 0.00 92 A 9.53 4.18 1.28 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 0.00 0.00 93 N 9.72 4.07 0.00 2.80 2.83 0.00 0.00 7.43 7.65 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 94 G 8.44 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 0.00 0.00 0.00 95 Q 8.35 4.27 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 96 P 0.00 4.83 0.00 1.92 2.02 0.00 3.58 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 97 C 9.84 5.22 0.00 2.74 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 98 A 8.88 5.17 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.96 5.01 0.00 1.40 1.16 -0.57 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.53 5.03 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 4.71 0.68 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 1.23 0.00 0.00 0.41 0.00 0.00 102 I 8.17 5.51 1.92 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 1.41 1.62 0.94 0.00 0.00 103 D 9.31 5.68 0.00 2.79 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 0.00 104 V 9.04 4.65 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 1.03 0.00 0.00 0.86 0.00 0.00 105 M 9.37 5.24 0.00 1.30 1.76 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.17 0.00 106 R 8.56 4.83 0.00 1.86 1.72 0.00 3.09 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 107 F 9.22 5.13 0.00 3.01 2.97 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 0.00 108 D 9.28 4.97 0.00 2.75 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 0.00 109 E 8.96 4.08 0.00 2.02 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 0.00 1.95 2.21 0.00 110 H 8.47 4.63 0.00 3.28 3.40 0.00 5.98 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.30 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 0.00 112 R 8.76 4.84 0.00 1.98 1.98 0.00 3.16 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 113 I 8.34 3.52 1.17 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.27 0.42 0.00 0.00 114 Q 9.23 4.42 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 115 T 7.46 5.22 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 0.00 116 M 8.92 5.27 0.00 2.28 1.95 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 117 Q 9.18 5.08 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 118 A 8.95 5.66 1.73 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 0.00 0.00 119 Y 9.38 4.90 0.00 2.94 2.97 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 0.00 120 W 8.51 4.58 0.00 3.43 3.04 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 0.00 121 S 8.12 4.37 0.00 3.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.76 4.15 0.00 2.21 2.35 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 2.40 2.32 0.00 123 V 7.49 3.84 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 0.71 0.00 0.00 0.99 0.00 0.00 124 N 8.47 4.92 0.00 3.01 3.02 0.00 0.00 6.86 7.35 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 0.00 125 L 7.93 4.78 0.00 1.71 1.61 1.02 0.61 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 0.00 126 S 8.70 4.63 0.00 3.87 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 0.00 127 V 8.46 4.45 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 0.84 0.00 0.00 0.94 0.00 0.00 *128 R 8.29 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.