NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9936 8.3049 120.6713 55.6001 33.6272 174.2989 2 I 4.5213 8.3580 126.0141 59.1823 40.2986 173.2047 3 I 4.8893 8.1539 125.3213 58.2011 41.5827 174.0733 4 S 4.4286 7.5758 118.9600 58.5599 65.7280 175.1572 5 S 5.1338 7.5856 115.1873 56.6860 65.1255 174.7391 6 L 3.3940 8.9842 127.3138 56.8364 41.7002 178.4750 7 T 3.9810 8.1357 116.2790 66.4992 68.8012 174.3548 8 N 4.6150 8.4485 120.9602 52.5555 39.4038 174.0232 9 P 4.4861 0.0000 0.0000 65.2018 31.5429 176.6358 10 N 4.7484 9.1886 116.4691 52.7598 38.5049 176.6881 11 F 4.4413 8.0366 116.1102 59.8565 37.8766 176.8923 12 K 3.7582 7.1454 119.2877 57.2529 32.2267 176.5114 13 V 3.6092 8.5891 120.3563 64.4221 31.2767 176.2645 14 G 4.0254 8.9221 115.7800 45.3331 0.0000 173.1715 15 L 4.2126 7.4143 120.0356 53.8093 41.9968 176.0454 16 P 4.5008 0.0000 0.0000 62.4614 33.2606 177.8898 17 K 4.0043 8.5246 119.2534 59.6040 32.0744 179.7796 18 V 3.5832 7.8141 118.0385 66.2856 31.5236 178.0678 19 I 3.7968 7.8177 118.3273 63.6357 36.8719 178.2158 20 A 4.0112 7.6684 121.7204 55.2600 18.5963 179.2399 21 E 3.8877 8.2832 117.3290 59.8371 29.4482 180.2852 22 V 3.6455 7.8674 117.8308 66.2100 31.6288 177.5731 23 C 3.7831 7.9842 116.4849 63.6622 27.7510 175.4218 24 D 4.3883 8.5235 119.1336 57.4826 40.6641 177.9754 25 Y 4.2443 8.4046 119.0341 61.3168 39.0010 178.8167 26 L 3.8583 8.9226 119.9231 57.9346 41.6873 179.0613 27 N 4.5351 8.1874 113.7813 54.9846 38.3683 176.0820 28 T 4.4653 7.5928 117.2177 63.0128 69.1336 173.5453 29 L 4.6444 7.5960 120.8581 53.6445 46.5121 175.7393 30 D 4.9246 7.8215 115.0772 54.9434 40.5298 177.4651 31 L 3.9956 7.3074 120.5300 58.0054 43.0111 179.5000 32 N 4.4057 8.1134 116.1148 56.2505 38.6122 177.4052 33 A 4.0500 8.5196 119.5532 54.1710 18.6300 177.8023 34 L 3.8013 7.2355 114.6538 55.1079 42.0308 177.2181 35 E 4.1103 8.7792 123.3356 55.9800 29.9800 176.6217 36 N 4.3403 8.8029 121.1611 54.5943 39.3783 173.2440 37 G 3.6041 8.5689 107.8620 43.7554 0.0000 171.9969 38 R 4.7903 8.4357 120.7180 56.2891 30.3330 176.0002 39 H 5.1052 9.7413 124.3425 54.1614 31.9593 173.0780 40 D 5.1088 8.7705 121.2035 53.1660 42.3308 176.1537 41 I 4.0106 8.9426 122.6600 62.2187 39.2502 175.1564 42 N 4.9212 7.5193 116.1565 52.2443 41.2478 173.3831 43 D 4.5936 8.7879 117.5359 56.0428 40.1279 176.9530 44 Q 4.6049 8.0315 115.8394 55.1389 31.5330 175.1650 45 I 4.8673 7.7501 118.9472 59.5543 39.5888 173.5946 46 Y 4.5769 7.7693 123.4307 58.0770 41.6741 173.0752 47 M 4.6330 8.2651 113.4504 55.6750 36.8237 174.6575 48 N 5.4208 8.9831 125.0830 51.5771 41.4960 173.8086 49 V 4.7393 8.6212 124.3242 61.7709 33.4692 174.5565 50 M 5.2068 9.0429 126.4340 53.5852 36.5154 174.0485 51 E 5.1224 8.8327 120.1611 52.6850 32.7829 174.7760 52 P 4.2927 0.0000 0.0000 62.4083 31.7704 175.0847 *61 K 3.9542 8.1722 115.9584 56.5125 33.5951 175.0146 62 A 4.3030 8.3744 121.6400 51.9964 19.6922 176.2922 63 E 5.2132 9.4191 121.1772 54.3621 33.7931 174.2201 64 L 5.1552 9.2965 125.1864 54.3915 44.6340 174.4438 65 H 5.5877 8.2799 113.6898 54.2695 32.9038 174.1019 66 H 4.2876 9.2204 115.6761 55.7885 31.0269 174.9539 67 E 4.7391 8.5810 115.3290 55.4634 32.6007 174.8200 68 Y 5.2888 9.0976 117.1764 55.7580 40.7207 175.6103 69 L 4.5346 9.0347 124.3870 55.4794 42.7307 175.7178 70 D 5.0881 8.7593 122.6107 53.4295 42.1438 176.0842 71 V 4.1495 8.4665 125.7899 62.7369 32.5748 175.0158 72 Q 5.0236 9.6648 130.0440 54.4754 30.3808 174.8638 73 V 4.7886 7.9339 125.1311 60.9532 33.5066 175.0983 74 L 4.2561 8.7212 130.1904 55.2861 42.7706 176.4389 75 I 4.2633 8.3819 125.2177 62.7631 39.5289 175.9507 76 R 4.4253 8.9588 118.8508 56.1623 34.6939 175.0941 77 G 3.9319 9.9075 106.4126 45.1456 0.0000 173.3949 78 T 4.3749 7.6754 114.1625 63.1021 72.2050 172.5153 79 E 4.8028 9.0195 127.2419 54.3978 34.0980 173.6530 80 N 5.3544 8.6561 120.0857 51.5656 41.5074 173.5499 81 I 4.5815 8.8935 125.5749 59.5096 39.5710 174.8968 82 E 4.5324 9.1198 128.7558 55.9926 30.4547 176.3110 83 V 4.4375 8.3637 124.2157 60.8905 35.4752 174.2046 84 G 4.5223 8.2101 111.6435 44.5078 0.0000 172.7962 85 A 4.9315 8.7985 121.8091 51.8100 20.9599 177.2520 86 T 4.1468 7.8946 112.6351 63.0579 69.1767 173.7391 87 Y 3.9493 8.5990 126.7067 57.1236 39.4294 173.8881 88 P 4.6430 0.0000 0.0000 61.3544 33.3602 175.0198 89 N 4.6224 8.5656 118.2075 53.3045 38.6109 175.0961 90 L 4.6315 8.5526 126.6564 55.3138 41.6125 177.9225 91 S 4.7346 8.0799 113.6479 58.2432 64.5826 175.1657 92 K 4.2633 8.3499 120.2008 57.3737 32.0999 175.1701 93 Y 4.5909 7.4507 116.3502 56.9895 39.2883 176.5204 94 E 4.3343 8.4769 124.4244 56.8082 30.2053 176.2985 95 D 4.8386 8.6779 119.8573 54.4966 42.3658 175.4338 96 Y 4.5412 8.3779 120.7264 56.1554 40.0008 173.9204 97 N 4.2461 7.4374 126.3759 52.2602 38.6070 175.4495 98 E 3.7461 8.3626 126.0631 58.4861 29.9345 178.0519 99 A 4.3464 7.7963 120.1207 53.1211 19.6025 177.2952 100 D 4.7237 9.4138 115.2254 54.6830 41.8679 176.6407 101 D 4.2710 8.3400 114.7856 53.5746 39.4715 170.9245 102 Y 5.9576 6.7208 119.3816 56.8978 42.8605 175.4078 103 Q 5.1263 8.9055 117.2654 54.6756 33.6178 174.1385 104 L 5.2768 8.8894 122.1428 53.5586 45.1567 174.6579 105 C 4.7324 8.3704 119.9358 57.9355 35.4471 174.1724 106 A 4.3604 8.4391 122.8677 52.3080 18.8993 176.7617 107 D 4.7199 7.3379 114.0603 52.4049 44.5138 174.0858 108 I 4.4859 7.9692 124.9205 59.3272 38.3304 175.3855 109 D 4.4157 8.5603 124.7496 55.5566 41.1721 176.4435 110 D 4.7208 8.2598 122.3581 56.0037 38.2010 173.5388 111 K 4.1901 7.0783 117.5117 53.8497 32.1722 175.3045 112 F 5.2159 8.4566 117.7831 55.4953 42.2209 173.3217 113 T 5.0194 8.8054 114.5650 61.7648 71.2673 173.9412 114 V 4.3552 8.7450 127.0443 61.5581 33.4289 174.6542 115 T 4.9110 8.6090 125.6705 63.2757 69.3563 174.0672 116 M 4.6410 9.0768 127.3678 53.6882 34.5153 175.6198 117 K 5.0061 8.3460 121.1549 53.3350 37.2512 173.6935 118 P 4.3283 0.0000 0.0000 64.7747 31.6396 177.2793 119 K 4.1357 8.9009 120.8408 56.2745 31.3137 176.3174 120 M 5.0434 7.6596 118.5125 54.5170 33.9039 175.2116 121 F 5.5738 9.1330 115.6351 55.4240 42.1331 173.2613 122 A 4.4650 8.9273 122.2465 50.1532 22.0929 174.9295 123 V 4.4590 8.6728 123.8771 61.3979 33.5160 174.4967 124 F 5.5562 8.2786 127.3060 56.2520 40.9573 175.2798 125 Y 4.7282 11.2836 121.6381 56.3989 39.4512 173.7075 126 P 4.4442 0.0000 0.0000 64.5982 31.8514 176.5323 127 Y 3.3878 7.9168 116.5362 58.5825 36.4689 170.1129 128 E 4.3214 8.5412 120.5496 55.0593 29.3338 175.1626 129 P 4.6201 0.0000 0.0000 63.1426 32.9095 175.3018 130 H 4.5330 8.4822 115.3664 54.8117 32.2826 173.1800 131 K 4.2903 8.6178 121.9662 54.6111 34.7903 173.4297 132 P 4.8960 0.0000 0.0000 60.5954 29.4781 175.9472 133 C 4.3564 8.0106 118.4592 58.0024 30.6467 173.3153 134 C 4.8773 8.3148 116.1066 58.2678 30.4284 174.3610 135 V 4.2498 8.1232 120.3157 62.3708 33.1667 174.8752 *143 I 4.2063 7.5143 119.7005 61.5934 38.9769 174.3337 144 K 4.6881 9.5599 128.3695 54.7308 35.2993 174.9151 145 K 4.9778 8.7354 127.1849 56.0332 36.6515 174.3004 146 L 4.7606 7.9777 118.1771 54.5373 45.6966 174.2005 147 V 4.6279 9.2803 126.6879 61.0578 34.5898 174.4164 148 V 4.2095 8.6220 129.1473 62.5187 33.0028 174.8158 149 K 4.4842 9.4475 127.9928 54.7578 33.9190 175.2917 150 V 4.6491 8.5975 125.6604 60.2145 34.5316 173.1620 151 P 4.2911 0.0000 0.0000 61.9839 32.1022 177.1532 152 V 3.6458 9.1395 124.3209 66.9737 31.6797 179.2955 153 K 4.2563 7.5308 117.0808 59.4119 32.1860 177.0458 154 L 4.2100 8.4004 117.3630 55.9430 41.7642 177.1365 155 I 4.0068 8.3897 126.1125 61.5625 37.0095 175.6471 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 8.30 4.99 0.00 2.21 2.27 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 2.88 2.65 0.00 2 I 8.36 4.52 1.84 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.13 0.86 0.00 0.00 3 I 8.15 4.89 1.81 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.51 0.82 0.00 0.00 4 S 7.58 4.43 0.00 3.42 2.63 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 5 S 7.59 5.13 0.00 3.84 3.61 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 6 L 8.98 3.39 0.00 1.46 1.30 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.14 3.98 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 8 N 8.45 4.61 0.00 2.81 2.96 0.00 0.00 7.03 7.54 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 9 P 0.00 4.49 0.00 2.25 2.22 0.00 3.87 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 2.02 2.02 0.00 10 N 9.19 4.75 0.00 2.73 2.82 0.00 0.00 6.53 8.05 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 11 F 8.04 4.44 0.00 3.39 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 12 K 7.15 3.76 0.00 1.29 1.62 0.00 1.44 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 0.42 7.81 13 V 8.59 3.61 2.13 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 0.74 0.00 0.00 0.96 0.00 0.00 14 G 8.92 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 15 L 7.41 4.21 0.00 1.68 1.70 1.17 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.50 0.00 2.24 2.06 0.00 3.73 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 17 K 8.52 4.00 0.00 1.81 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 18 V 7.81 3.58 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 1.07 0.00 0.00 1.03 0.00 0.00 19 I 7.82 3.80 2.07 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 1.57 0.80 0.93 0.00 0.00 20 A 7.67 4.01 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 21 E 8.28 3.89 0.00 2.17 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 0.00 2.36 2.46 0.00 22 V 7.87 3.65 2.24 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 1.05 0.00 0.00 0.94 0.00 0.00 23 C 7.98 3.78 0.00 3.10 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 24 D 8.52 4.39 0.00 2.85 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 25 Y 8.40 4.24 0.00 3.07 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 26 L 8.92 3.86 0.00 1.72 1.63 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.19 4.54 0.00 2.89 2.84 0.00 0.00 7.03 8.23 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 28 T 7.59 4.47 4.29 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 1.01 0.00 0.00 29 L 7.60 4.64 0.00 1.45 1.42 0.60 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.82 4.92 0.00 2.60 2.49 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 0.00 31 L 7.31 4.00 0.00 1.64 1.67 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.11 4.41 0.00 2.71 2.84 0.00 0.00 6.76 7.73 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 33 A 8.52 4.05 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 34 L 7.24 3.80 0.00 1.81 1.63 0.85 1.06 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 35 E 8.78 4.11 0.00 2.08 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 2.33 2.36 0.00 36 N 8.80 4.34 0.00 2.72 2.80 0.00 0.00 7.25 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 37 G 8.57 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 38 R 8.44 4.79 0.00 1.84 1.84 0.00 3.03 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 39 H 9.74 5.11 0.00 3.08 3.23 0.00 5.64 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 40 D 8.77 5.11 0.00 2.57 2.59 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 41 I 8.94 4.01 1.88 0.00 0.00 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 1.27 0.79 0.24 0.00 0.00 42 N 7.52 4.92 0.00 2.75 2.76 0.00 0.00 6.93 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 43 D 8.79 4.59 0.00 2.80 2.80 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 0.00 0.00 0.00 0.00 44 Q 8.03 4.60 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 45 I 7.75 4.87 1.84 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 1.50 0.67 0.90 0.00 0.00 46 Y 7.77 4.58 0.00 3.17 3.14 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 47 M 8.27 4.63 0.00 2.50 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 48 N 8.98 5.42 0.00 2.65 2.73 0.00 0.00 6.11 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 49 V 8.62 4.74 2.27 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 1.14 0.00 0.00 0.93 0.00 0.00 50 M 9.04 5.21 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 51 E 8.83 5.12 0.00 1.80 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 2.20 2.20 0.00 52 P 0.00 4.29 0.00 2.16 2.11 0.00 3.93 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 1.99 1.96 0.00 *61 K 8.17 3.95 0.00 1.96 1.83 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.38 7.81 62 A 8.37 4.30 1.22 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 0.00 0.00 0.00 0.00 0.00 63 E 9.42 5.21 0.00 1.81 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 1.90 2.15 0.00 64 L 9.30 5.16 0.00 1.63 1.64 0.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.28 5.59 0.00 3.10 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.22 4.29 0.00 3.27 3.18 0.00 5.62 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.58 4.74 0.00 2.19 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 2.38 2.82 0.00 68 Y 9.10 5.29 0.00 2.81 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 69 L 9.03 4.53 0.00 1.72 1.81 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.76 5.09 0.00 2.83 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 71 V 8.47 4.15 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 0.90 0.00 0.00 0.88 0.00 0.00 72 Q 9.66 5.02 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 73 V 7.93 4.79 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 0.77 0.00 0.00 0.91 0.00 0.00 74 L 8.72 4.26 0.00 1.83 1.53 0.96 0.80 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 75 I 8.38 4.26 1.96 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 1.32 0.76 0.90 0.00 0.00 76 R 8.96 4.43 0.00 1.66 1.76 0.00 3.08 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 1.55 1.57 0.00 77 G 9.91 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 78 T 7.68 4.37 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 1.22 0.00 0.00 79 E 9.02 4.80 0.00 2.00 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 2.20 2.26 0.00 80 N 8.66 5.35 0.00 2.73 2.69 0.00 0.00 6.71 7.32 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 81 I 8.89 4.58 1.95 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 1.26 0.83 0.88 0.00 0.00 82 E 9.12 4.53 0.00 1.90 1.80 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 0.00 2.29 2.21 0.00 83 V 8.36 4.44 1.59 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 0.88 0.00 0.00 0.79 0.00 0.00 84 G 8.21 4.52 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 0.00 85 A 8.80 4.93 1.49 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 0.00 0.00 0.00 86 T 7.89 4.15 4.33 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 1.30 0.00 0.00 87 Y 8.60 3.95 0.00 2.93 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 88 P 0.00 4.64 0.00 2.06 1.96 0.00 2.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 89 N 8.57 4.62 0.00 2.85 2.90 0.00 0.00 6.94 6.66 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 L 8.55 4.63 0.00 1.71 1.70 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.08 4.73 0.00 4.04 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 0.00 92 K 8.35 4.26 0.00 1.82 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.44 7.81 93 Y 7.45 4.59 0.00 2.89 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 94 E 8.48 4.33 0.00 1.96 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 2.38 2.32 0.00 95 D 8.68 4.84 0.00 2.60 2.63 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 96 Y 8.38 4.54 0.00 3.03 2.89 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 0.00 0.00 0.00 97 N 7.44 4.25 0.00 1.95 1.42 0.00 0.00 6.80 7.57 0.00 0.00 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 E 8.36 3.75 0.00 1.98 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 2.59 2.65 0.00 99 A 7.80 4.35 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 0.00 100 D 9.41 4.72 0.00 2.79 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 0.00 101 D 8.34 4.27 0.00 2.92 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 0.00 102 Y 6.72 5.96 0.00 3.31 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 0.00 103 Q 8.91 5.13 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.67 2.78 0.00 104 L 8.89 5.28 0.00 1.61 1.51 0.82 0.67 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 0.00 105 C 8.37 4.73 0.00 1.81 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 0.00 0.00 0.00 106 A 8.44 4.36 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 0.00 107 D 7.34 4.72 0.00 2.50 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 0.00 0.00 0.00 0.00 108 I 7.97 4.49 1.83 0.00 0.00 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 1.39 0.69 0.92 0.00 0.00 109 D 8.56 4.42 0.00 2.77 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 0.00 110 D 8.26 4.72 0.00 2.93 2.90 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 0.00 0.00 0.00 111 K 7.08 4.19 0.00 1.97 1.74 0.00 1.64 0.00 0.00 2.10 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.42 7.81 112 F 8.46 5.22 0.00 3.09 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 0.00 113 T 8.81 5.02 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 1.23 0.00 0.00 114 V 8.74 4.36 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 0.88 0.00 0.00 1.11 0.00 0.00 115 T 8.61 4.91 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 1.27 0.00 0.00 116 M 9.08 4.64 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 117 K 8.35 5.01 0.00 1.61 1.66 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.37 7.81 118 P 0.00 4.33 0.00 2.03 2.00 0.00 3.68 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 2.03 2.13 0.00 119 K 8.90 4.14 0.00 1.96 2.13 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.35 7.81 120 M 7.66 5.04 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.43 0.00 121 F 9.13 5.57 0.00 2.98 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 0.00 122 A 8.93 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.67 4.46 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 0.28 0.00 0.00 0.96 0.00 0.00 124 F 8.28 5.56 0.00 2.92 2.79 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 0.00 125 Y 11.28 4.73 0.00 3.12 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 0.00 126 P 0.00 4.44 0.00 1.99 1.81 0.00 4.09 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 127 Y 7.92 3.39 0.00 2.97 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.54 4.32 0.00 2.01 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 2.52 2.51 0.00 129 P 0.00 4.62 0.00 2.03 2.07 0.00 3.78 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 130 H 8.48 4.53 0.00 2.55 2.44 0.00 5.22 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 0.00 131 K 8.62 4.29 0.00 1.70 1.58 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 132 P 0.00 4.90 0.00 1.97 2.27 0.00 3.74 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 133 C 8.01 4.36 0.00 3.05 2.95 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 0.00 134 C 8.31 4.88 0.00 2.92 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 0.00 135 V 8.12 4.25 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 0.93 0.00 0.00 *143 I 7.51 4.21 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.99 0.91 0.00 0.00 144 K 9.56 4.69 0.00 1.78 1.61 0.00 1.46 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.39 7.81 145 K 8.74 4.98 0.00 2.00 1.90 0.00 1.43 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.36 7.81 146 L 7.98 4.76 0.00 1.70 1.65 0.90 0.70 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 0.00 147 V 9.28 4.63 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 0.90 0.00 0.00 0.96 0.00 0.00 148 V 8.62 4.21 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 0.89 0.00 0.00 0.92 0.00 0.00 149 K 9.45 4.48 0.00 0.79 0.83 0.00 0.98 0.00 0.00 1.24 0.00 0.00 2.71 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.96 0.74 7.81 150 V 8.60 4.65 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 0.99 0.00 0.00 0.92 0.00 0.00 151 P 0.00 4.29 0.00 2.04 1.51 0.00 3.62 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 2.03 1.79 0.00 152 V 9.14 3.65 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 1.09 0.00 0.00 0.98 0.00 0.00 153 K 7.53 4.26 0.00 1.75 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.49 7.81 154 L 8.40 4.21 0.00 1.66 1.72 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.39 4.01 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.