NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5927 8.2833 118.2123 52.8437 38.7293 175.6333 *4 I 4.0767 8.8448 117.6733 61.3729 39.3491 177.4048 5 D 4.4258 8.3297 119.8317 57.3439 40.7745 178.9647 6 Q 3.7409 7.8306 117.1254 58.2425 28.6955 177.6866 7 L 4.0766 7.2686 116.0154 55.8050 42.2634 176.4267 8 N 4.0629 7.6436 115.8270 54.4824 37.2422 174.4710 9 I 4.1687 7.4790 118.5799 61.5124 38.3812 176.2856 10 T 4.6704 9.0311 121.9976 62.0512 71.4410 173.1103 11 D 4.6109 8.5899 118.5701 55.2794 38.5359 173.5348 12 F 5.0169 8.3528 120.8270 58.3080 40.2731 174.3176 13 Q 4.4557 8.5897 123.7408 54.5828 32.1327 173.6948 14 V 5.0021 8.0917 122.1150 60.0934 33.7984 174.6186 15 F 5.1498 9.0300 117.8823 56.3085 41.4851 172.8492 16 T 5.2465 8.3223 109.3253 59.0344 71.2739 173.9845 17 D 4.7078 8.4454 122.2242 54.1213 41.6445 177.7111 18 E 4.1210 8.6798 121.2208 59.4012 29.9682 178.5583 19 N 4.4280 8.2776 116.3556 56.4262 38.7906 177.0391 20 S 4.5111 7.8150 111.8580 60.1262 62.9660 175.4483 21 D 4.1804 7.2175 120.3610 57.2487 40.8041 177.3354 22 K 4.1811 7.2612 116.4845 56.2166 32.5729 176.2579 23 F 5.0168 7.0658 116.5832 57.0693 40.2380 176.3045 24 V 3.7368 8.4608 122.1218 64.1391 31.6687 176.2827 25 S 4.5079 7.7994 115.6572 56.1596 61.1887 172.9675 26 K 4.0398 8.3515 126.7303 56.1142 32.6422 177.0356 27 I 4.2149 8.1854 124.4608 60.4558 38.3739 174.2274 28 Y 4.8998 8.4273 125.3337 56.5424 40.0134 175.1749 29 K 5.3768 9.0387 122.4780 54.6146 36.9684 175.1051 30 F 5.3832 8.4720 115.9816 55.3621 41.7912 173.7972 31 S 5.3676 9.0964 115.4415 57.2872 67.3502 173.1166 32 S 5.2202 8.1292 115.0334 59.0766 66.5361 174.3860 33 K 5.5342 8.5140 119.9915 54.3429 36.0774 175.1907 *35 I 4.2386 8.3473 123.3612 62.3195 38.1632 175.5065 36 L 4.3631 8.8258 128.0715 54.1164 43.0533 176.4938 37 S 4.8684 8.4490 116.1259 57.0671 66.4514 173.7739 38 D 4.4418 9.0045 117.4431 56.4901 39.3894 177.8821 39 F 4.0369 8.0058 121.5571 61.4902 39.3864 175.4514 40 H 4.4803 8.4859 114.9200 55.7285 29.0119 174.9270 41 A 4.6918 7.7560 123.5344 51.6344 19.2297 177.0195 42 Q 4.6447 8.4363 118.7256 53.3310 31.0789 174.8647 43 P 4.2666 0.0000 0.0000 65.6398 31.2697 177.3961 44 Q 4.3040 8.3606 114.0025 55.5775 29.1217 176.2828 45 G 3.7188 8.7849 107.8910 45.0227 0.0000 173.5353 46 F 5.0101 7.4978 118.3399 55.5989 41.5766 174.6896 47 L 4.3779 9.6269 123.8367 55.1660 42.0866 176.3018 48 N 4.3859 9.4082 126.6730 53.5880 39.6319 176.2647 49 G 3.6036 8.9309 112.6089 47.6397 0.0000 176.0635 50 G 3.7124 8.5097 107.8581 47.6325 0.0000 175.6843 51 A 4.0310 7.7402 122.6430 55.1138 18.4513 179.9207 52 S 4.1244 8.0491 113.1860 61.6485 63.0080 176.6144 53 L 3.9970 8.4159 121.8404 57.9446 41.4070 179.5275 54 A 3.9965 8.1806 120.5772 54.9989 18.3048 179.2889 55 L 3.8856 8.3621 119.0124 58.2646 42.1312 179.1912 56 A 4.0491 8.1712 120.5767 55.2683 18.4295 179.2732 57 E 3.8691 8.2494 117.8687 59.3629 29.4449 179.1663 58 I 3.6163 7.6661 119.3541 64.5000 37.2971 178.2300 59 T 3.4891 7.6480 109.2471 64.3308 68.7648 176.1983 60 A 3.2765 7.6677 123.7278 54.3930 18.3406 180.5773 61 G 3.6831 7.5785 100.6625 45.4347 0.0000 175.2123 *63 A 4.4409 7.9255 125.0201 52.0836 20.6838 180.0812 64 S 4.5502 8.4845 112.2274 62.1243 62.9256 176.7650 65 N 4.1834 8.2934 118.8220 56.2138 38.0193 177.3207 66 A 4.0315 7.9290 120.6353 55.1718 18.6147 179.2892 67 I 3.8683 7.7544 117.4684 64.3985 37.2421 178.7190 68 G 2.7236 7.7962 105.2492 45.9451 0.0000 173.4867 69 S 3.2475 9.0761 115.3593 58.7238 60.4436 171.7204 70 G 4.1360 8.0375 113.6252 45.5144 0.0000 172.7007 71 Q 4.1065 7.5338 118.1987 58.7007 28.7404 175.8703 72 Y 5.2233 6.6457 112.0221 55.8985 41.4555 173.8628 73 F 5.1108 9.7476 118.4629 55.7218 42.3657 174.3699 74 A 5.3346 9.4754 124.7852 50.5400 20.7908 176.2429 75 F 4.7689 9.3386 124.1987 55.7863 42.8696 174.2350 76 G 3.6685 8.2873 113.3474 47.2536 0.0000 172.1881 77 Q 4.7519 9.0517 127.3124 57.4482 30.9118 175.9517 78 S 4.8234 7.7860 112.6825 57.1994 67.8077 173.2661 79 I 4.9736 8.1616 122.3434 59.8803 41.0005 173.2156 80 N 5.1572 9.4351 127.6837 51.7319 41.9078 172.7534 81 A 5.2162 8.6204 126.2870 50.1942 22.7885 174.6728 82 N 4.8245 9.0502 118.4284 51.7126 41.7875 173.5346 83 H 4.8897 8.7643 121.8535 55.2540 28.8560 175.0854 84 L 4.3600 8.9841 124.8263 56.5253 42.3389 177.6071 85 N 5.0077 7.8395 113.5303 50.3347 42.3068 172.4009 86 P 4.1900 0.0000 0.0000 62.3508 31.9166 175.3861 87 K 4.5865 8.3304 122.1168 54.1596 34.5595 174.9103 88 K 3.9747 8.9330 129.4970 56.8340 32.7658 177.2297 89 C 4.6917 8.5600 129.2163 57.8164 29.0389 171.9516 90 E 4.7260 8.2880 118.3305 55.8867 33.2274 179.1628 91 G 3.9720 8.9388 110.0950 46.4342 0.0000 175.7879 92 F 5.1900 8.7939 117.7183 55.3862 40.7841 173.3853 93 V 4.6719 8.3403 113.6858 59.7732 35.5393 174.2509 94 N 5.4605 9.3509 120.1144 51.9111 41.0073 173.9909 95 A 5.1940 8.9617 124.1997 50.3198 21.8398 175.2765 96 R 4.5174 8.8644 121.6369 54.2713 33.9410 175.1350 97 G 3.8372 7.7351 110.1935 43.9164 0.0000 171.4729 98 L 5.2981 9.1766 124.2315 52.7447 45.2769 175.1476 99 L 3.7422 8.7241 129.5362 54.5595 41.3927 176.3483 100 L 4.2369 8.6968 128.2845 56.6443 42.8174 177.7391 101 K 4.2571 7.5522 120.0505 54.8221 35.3861 175.6025 102 N 4.9872 8.6179 128.1253 52.0584 37.5186 173.7562 103 G 3.9169 8.1959 111.7909 43.7521 0.0000 171.6373 104 K 4.0420 8.5065 120.2148 58.2265 32.5189 177.5108 105 R 4.4576 7.8519 113.2027 55.7141 31.6350 174.8159 106 N 6.0309 7.6250 115.0501 50.5887 42.9984 172.7786 107 H 5.3004 8.7207 119.0160 54.0777 31.8718 173.5612 108 V 4.7846 8.2273 122.8299 61.1080 33.7891 174.0422 109 W 5.2392 9.4340 128.9485 55.0889 31.7844 174.8607 110 E 4.9328 9.6458 126.0078 54.8464 30.9186 174.4831 111 I 5.0356 9.1988 128.3578 59.4787 40.6635 174.5789 112 K 4.7951 9.0200 127.0688 54.7743 34.4716 175.2438 113 I 4.9344 8.9771 126.7314 60.1020 39.1315 174.8057 114 T 5.1455 8.8573 121.4790 60.2531 71.3708 173.4735 115 D 4.7895 8.7148 127.1149 51.8711 41.1666 176.8195 116 E 3.7244 8.2067 116.0901 58.5128 29.1278 177.1534 117 N 4.6594 8.4507 116.8100 52.7198 38.7579 175.6537 118 E 4.1333 8.3263 116.1876 57.0891 27.8476 174.5539 119 T 3.9630 7.4513 117.1651 62.9909 68.8814 173.6928 120 L 4.2851 8.4908 128.7450 55.4643 42.7457 175.8238 121 I 4.2819 9.2525 127.3993 63.0874 38.9329 176.1074 122 S 5.0925 7.8064 116.5016 56.9157 67.5525 172.4551 123 Q 5.0313 8.9035 125.2504 54.5615 31.2078 174.3260 124 I 5.1523 8.9977 126.5534 60.0103 41.9074 174.0673 125 T 5.1451 9.0968 123.3395 61.7548 71.4088 173.3137 126 V 4.8048 8.8193 125.8236 61.0969 34.6760 174.0803 127 V 4.8587 8.8574 128.2728 61.5631 33.3558 174.0041 128 N 5.4381 9.3500 125.7807 51.7165 41.0734 173.9971 129 A 4.8079 9.4657 125.5490 51.2801 20.6874 176.2391 130 L 4.8012 8.7927 122.7999 53.2610 43.1386 176.1932 131 V 4.3161 8.9552 125.3384 60.6459 33.5791 174.2186 132 P 4.5191 0.0000 0.0000 62.7727 31.0118 175.6977 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 8.28 4.59 0.00 2.96 2.37 0.00 0.00 6.10 6.96 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 *4 I 8.84 4.08 1.98 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 1.39 1.12 0.85 0.00 0.00 5 D 8.33 4.43 0.00 2.65 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 6 Q 7.83 3.74 0.00 1.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.99 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 7 L 7.27 4.08 0.00 1.95 1.81 1.22 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.64 4.06 0.00 2.83 3.01 0.00 0.00 7.23 7.99 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 9 I 7.48 4.17 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.94 0.00 0.00 10 T 9.03 4.67 4.22 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 1.19 0.00 0.00 11 D 8.59 4.61 0.00 2.84 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 12 F 8.35 5.02 0.00 3.00 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 13 Q 8.59 4.46 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 14 V 8.09 5.00 1.99 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 0.86 0.00 0.00 1.20 0.00 0.00 15 F 9.03 5.15 0.00 3.05 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 16 T 8.32 5.25 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 0.59 0.00 0.00 17 D 8.45 4.71 0.00 2.76 2.68 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 18 E 8.68 4.12 0.00 1.93 1.99 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 2.30 2.38 0.00 19 N 8.28 4.43 0.00 2.91 3.01 0.00 0.00 7.18 7.95 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 20 S 7.81 4.51 0.00 4.04 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 21 D 7.22 4.18 0.00 2.75 2.55 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 22 K 7.26 4.18 0.00 1.49 1.47 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.44 7.81 23 F 7.07 5.02 0.00 3.05 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 24 V 8.46 3.74 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 0.71 0.00 0.00 0.97 0.00 0.00 25 S 7.80 4.51 0.00 3.84 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 26 K 8.35 4.04 0.00 1.61 1.29 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.43 7.81 27 I 8.19 4.21 1.94 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 1.20 1.37 0.93 0.00 0.00 28 Y 8.43 4.90 0.00 2.75 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 29 K 9.04 5.38 0.00 0.79 1.13 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.24 7.81 30 F 8.47 5.38 0.00 2.89 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 31 S 9.10 5.37 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 32 S 8.13 5.22 0.00 4.11 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 33 K 8.51 5.53 0.00 1.63 1.68 0.00 1.36 0.00 0.00 1.02 0.00 0.00 2.65 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.22 7.81 *35 I 8.35 4.24 1.90 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 1.33 0.49 0.96 0.00 0.00 36 L 8.83 4.36 0.00 1.53 1.58 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.45 4.87 0.00 3.91 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 38 D 9.00 4.44 0.00 2.95 3.01 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 39 F 8.01 4.04 0.00 2.94 3.11 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 40 H 8.49 4.48 0.00 3.30 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.76 4.69 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 42 Q 8.44 4.64 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.66 0.00 43 P 0.00 4.27 0.00 2.07 2.20 0.00 3.68 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 2.04 2.14 0.00 44 Q 8.36 4.30 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 45 G 8.78 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 46 F 7.50 5.01 0.00 3.00 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 47 L 9.63 4.38 0.00 1.70 1.75 1.02 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 48 N 9.41 4.39 0.00 2.70 2.70 0.00 0.00 6.66 7.79 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 49 G 8.93 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 50 G 8.51 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 51 A 7.74 4.03 1.42 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 0.00 0.00 52 S 8.05 4.12 0.00 4.09 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 53 L 8.42 4.00 0.00 1.97 1.74 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.18 4.00 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 55 L 8.36 3.89 0.00 1.89 2.01 1.00 1.04 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 56 A 8.17 4.05 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 57 E 8.25 3.87 0.00 2.03 1.91 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 2.20 2.28 0.00 58 I 7.67 3.62 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 1.50 0.66 0.76 0.00 0.00 59 T 7.65 3.49 3.64 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 1.24 0.00 0.00 60 A 7.67 3.28 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 61 G 7.58 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 *63 A 7.93 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.48 4.55 0.00 4.14 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 0.00 65 N 8.29 4.18 0.00 2.75 2.67 0.00 0.00 6.96 7.51 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 66 A 7.93 4.03 1.45 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 0.00 0.00 67 I 7.75 3.87 2.05 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.46 0.00 0.00 68 G 7.80 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 0.00 0.00 0.00 69 S 9.08 3.25 0.00 3.98 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 70 G 8.04 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 71 Q 7.53 4.11 0.00 1.68 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 72 Y 6.65 5.22 0.00 2.99 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 73 F 9.75 5.11 0.00 2.97 3.06 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 74 A 9.48 5.33 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 75 F 9.34 4.77 0.00 3.15 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 76 G 8.29 3.67 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 0.00 0.00 0.00 77 Q 9.05 4.75 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 78 S 7.79 4.82 0.00 3.79 3.70 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 79 I 8.16 4.97 1.88 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 1.41 0.95 0.91 0.00 0.00 80 N 9.44 5.16 0.00 2.84 2.61 0.00 0.00 6.45 8.86 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 81 A 8.62 5.22 1.10 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 0.00 0.00 0.00 82 N 9.05 4.82 0.00 2.58 2.68 0.00 0.00 6.90 8.79 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 83 H 8.76 4.89 0.00 3.03 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.98 4.36 0.00 1.62 1.70 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.84 5.01 0.00 2.73 2.63 0.00 0.00 6.92 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 86 P 0.00 4.19 0.00 1.54 1.44 0.00 3.63 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 87 K 8.33 4.59 0.00 1.88 1.72 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.49 7.81 88 K 8.93 3.97 0.00 1.87 1.72 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.22 7.81 89 C 8.56 4.69 0.00 3.23 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 90 E 8.29 4.73 0.00 2.08 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 2.31 2.27 0.00 91 G 8.94 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 0.00 0.00 0.00 92 F 8.79 5.19 0.00 3.18 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 93 V 8.34 4.67 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 0.93 0.00 0.00 1.01 0.00 0.00 94 N 9.35 5.46 0.00 2.74 2.81 0.00 0.00 6.92 7.13 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 95 A 8.96 5.19 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 96 R 8.86 4.52 0.00 1.67 1.68 0.00 3.08 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 97 G 7.74 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 0.00 0.00 0.00 98 L 9.18 5.30 0.00 1.69 1.52 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.72 3.74 0.00 0.27 1.25 -0.41 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.70 4.24 0.00 1.55 1.65 0.92 0.70 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 0.00 101 K 7.55 4.26 0.00 1.71 1.51 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.38 7.81 102 N 8.62 4.99 0.00 2.59 2.69 0.00 0.00 7.18 7.98 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 0.00 103 G 8.20 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 0.00 0.00 0.00 104 K 8.51 4.04 0.00 1.68 1.80 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.46 7.81 105 R 7.85 4.46 0.00 1.95 2.07 0.00 2.94 0.00 0.00 3.31 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 106 N 7.62 6.03 0.00 2.61 2.67 0.00 0.00 7.48 8.16 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 0.00 107 H 8.72 5.30 0.00 3.14 3.01 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.23 4.78 2.02 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 1.02 0.00 0.00 0.91 0.00 0.00 109 W 9.43 5.24 0.00 3.41 3.24 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 0.00 110 E 9.65 4.93 0.00 2.03 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 2.26 2.30 0.00 111 I 9.20 5.04 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 1.01 0.00 0.00 112 K 9.02 4.80 0.00 1.67 1.71 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.39 7.81 113 I 8.98 4.93 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.96 0.00 0.00 114 T 8.86 5.15 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 1.32 0.00 0.00 115 D 8.71 4.79 0.00 2.82 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 0.00 116 E 8.21 3.72 0.00 1.83 1.12 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 2.06 2.03 0.00 117 N 8.45 4.66 0.00 2.87 2.83 0.00 0.00 6.88 7.21 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 0.00 118 E 8.33 4.13 0.00 2.13 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 0.00 2.25 2.43 0.00 119 T 7.45 3.96 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 1.20 0.00 0.00 120 L 8.49 4.29 0.00 1.58 1.59 1.02 1.06 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 0.00 121 I 9.25 4.28 2.00 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 1.43 0.87 0.96 0.00 0.00 122 S 7.81 5.09 0.00 3.77 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 0.00 123 Q 8.90 5.03 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 124 I 9.00 5.15 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 1.02 0.00 0.00 125 T 9.10 5.15 4.28 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 1.31 0.00 0.00 126 V 8.82 4.80 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 1.11 0.00 0.00 1.06 0.00 0.00 127 V 8.86 4.86 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 1.01 0.00 0.00 0.97 0.00 0.00 128 N 9.35 5.44 0.00 2.80 2.81 0.00 0.00 6.43 7.30 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 0.00 129 A 9.47 4.81 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 0.00 130 L 8.79 4.80 0.00 1.28 1.26 0.60 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.96 4.32 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 1.00 0.00 0.00 0.94 0.00 0.00 132 P 0.00 4.52 0.00 2.13 2.01 0.00 3.79 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 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.