NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 3.9048 0.0000 0.0000 61.9263 33.1987 174.7293 2 L 5.2281 8.1044 120.8731 50.6633 45.2831 173.6654 3 R 4.6553 9.1726 120.7065 56.2727 34.2692 178.0437 *5 G 3.8271 9.0798 108.5085 45.4862 0.0000 172.3290 6 G 3.9982 8.8858 108.3308 48.4518 0.0000 174.1953 7 N 4.7245 8.1263 114.8214 52.3495 37.6244 175.6411 8 G 3.8551 8.2435 105.1760 46.6357 0.0000 173.5079 9 Q 4.4916 7.9797 121.2656 54.3814 29.8060 175.6508 10 L 4.4381 8.7852 126.8721 55.1064 42.6588 176.1015 11 Q 4.8241 9.5196 124.3966 54.5137 31.8871 173.3437 12 Y 5.2367 8.7763 126.7767 55.8390 40.7155 174.5680 13 W 5.1610 7.4901 122.2644 53.9419 31.3453 173.1774 14 P 4.0623 0.0000 0.0000 61.9187 31.7510 176.1504 15 F 4.1921 8.0949 118.5541 57.8757 39.4696 175.9116 16 S 4.3527 8.6803 118.7724 58.1027 64.1062 175.5841 17 S 3.9533 8.6522 123.4214 61.4127 62.7826 176.8882 18 S 4.1485 7.7936 119.2422 61.4587 62.4423 176.2973 19 D 3.6035 7.6265 120.9415 56.9507 40.5267 178.4991 20 L 3.4416 6.7089 119.1579 58.0510 41.5755 179.4264 21 Y 4.3287 7.8275 116.7663 60.8862 37.7308 178.0464 22 N 4.3441 8.2144 117.8027 56.0891 38.3985 177.3851 23 W 4.4536 7.7317 119.4245 59.5972 29.0046 178.2176 24 K 4.1737 8.2050 119.5043 59.8476 31.5708 178.7722 25 N 4.5014 8.7865 115.1708 55.4333 38.4374 176.1389 26 N 4.9162 7.8886 115.9164 52.1154 39.2078 174.1110 27 N 5.1100 7.2063 116.5723 50.6491 42.6904 172.4414 28 P 4.5443 0.0000 0.0000 61.8027 32.4252 176.9856 29 S 4.4283 9.3051 115.5908 58.2231 64.2664 175.1935 30 F 4.1208 8.7562 123.9248 61.7309 38.9238 177.4243 31 S 4.1258 8.1509 113.4375 61.4008 62.6363 176.3428 32 E 4.3431 7.9511 120.5458 58.1882 29.9808 177.5894 33 D 4.4158 7.9712 122.5859 51.2929 42.4342 173.3955 34 P 3.8225 0.0000 0.0000 64.3401 31.3226 178.4297 35 G 3.5964 7.7408 103.1377 47.7178 0.0000 175.5202 36 K 4.0288 7.8144 121.1360 59.4615 32.1014 179.4027 37 L 4.0808 7.8052 118.7071 57.8701 41.6248 179.7757 38 T 3.9035 8.2118 115.9155 66.6847 68.4300 176.5128 39 A 3.9638 8.1321 122.6904 54.8101 18.3379 179.4913 40 L 3.6740 7.8135 118.9097 58.4088 42.1793 179.3628 41 I 3.4958 8.0052 120.1924 64.0466 37.0035 177.8242 42 E 3.8755 8.4153 120.6704 59.4328 29.3051 178.9994 43 S 4.1158 7.9069 112.8599 61.4570 62.4275 176.2133 44 V 3.6055 7.5403 122.2358 65.4043 30.9185 177.7666 45 L 3.9956 8.0974 118.2878 57.8286 41.1288 179.3246 46 T 4.2376 7.4382 114.1946 66.4516 68.6032 177.3982 47 T 4.0010 8.3042 111.8799 64.4212 68.7425 175.1112 48 H 4.6564 8.7361 117.1060 54.5793 30.2855 174.4252 49 Q 3.4567 7.6919 119.1327 56.1265 26.5968 172.7109 50 P 4.3722 0.0000 0.0000 62.7199 32.6222 177.5764 51 T 4.4122 8.7349 112.0360 60.7289 71.3584 175.4816 52 W 3.8723 8.7388 129.2306 60.7034 30.5666 177.4082 53 D 4.3259 8.3185 118.3450 57.5133 40.3228 178.1479 54 D 4.5177 8.1814 119.3896 57.8010 40.7245 178.8092 55 C 4.2136 8.2858 117.2681 62.9218 28.0628 176.2086 56 Q 3.7359 7.5733 119.6603 58.8128 28.3168 178.5894 57 Q 3.9570 8.0480 120.7084 58.8229 29.0742 177.9720 58 L 3.8007 8.1855 121.6123 58.1531 42.1191 179.0261 59 L 4.0297 8.2725 119.5141 57.7036 41.3421 179.7664 60 G 3.5631 8.2755 105.0646 47.6315 0.0000 175.4409 61 T 4.1956 7.5149 116.7109 65.9237 68.9007 176.5935 62 L 4.3392 7.7693 119.1171 54.8086 42.2833 176.7831 63 L 4.9142 7.3078 118.0993 52.5197 44.4868 176.7824 64 T 4.3334 8.8972 112.5105 61.0772 70.9374 175.9166 65 G 3.6836 8.5864 107.8268 48.2954 0.0000 175.7237 66 E 4.0432 8.0941 120.4574 59.0031 29.5768 179.1435 67 E 3.9766 8.1897 118.7649 59.1998 29.4534 179.2552 68 K 3.8014 8.1943 119.8401 59.6281 32.1904 178.8438 69 Q 3.9802 8.1748 118.3132 58.8996 28.5100 178.8123 70 R 3.8511 7.9293 119.5888 59.3130 30.0413 178.7667 71 V 3.4766 7.7108 118.0085 66.0178 31.5530 178.0417 72 L 3.9888 8.1469 118.9862 57.5359 41.4329 179.2064 73 L 3.9251 8.1182 120.4615 58.3884 41.8584 179.0346 74 E 3.9288 8.1412 116.9749 59.0811 29.6246 178.9059 75 A 3.8648 7.9080 121.1839 55.1406 18.1621 179.9810 76 R 3.8050 7.6220 116.4586 58.9927 29.8850 178.9933 77 K 4.0685 7.7668 118.0602 58.2374 32.2803 177.6250 78 A 4.3606 7.2876 118.9966 51.3125 19.6624 177.4199 79 V 3.7645 7.1627 118.7860 62.7673 32.3243 175.1470 80 R 4.9710 8.2742 124.2912 54.1522 33.0885 176.3117 81 G 3.9819 8.7971 111.0634 44.5585 0.0000 174.1374 82 N 4.3951 8.6200 115.9712 55.3382 37.2112 175.4436 83 D 4.4945 8.0981 116.6311 53.2066 39.8102 177.0146 84 G 3.9026 8.2717 107.8056 46.0174 0.0000 173.6850 85 R 4.6667 7.8858 118.4105 53.0065 32.5755 173.9194 86 P 4.6891 0.0000 0.0000 63.5928 31.8319 175.9226 87 T 4.6969 8.3376 115.5870 60.5936 70.2030 173.4937 88 Q 4.5720 8.4928 123.7359 55.0997 30.2782 176.0968 89 L 4.0869 7.8941 120.1344 54.1644 42.2902 175.7389 90 P 4.3092 0.0000 0.0000 65.8014 31.3437 178.2685 91 N 4.3777 8.1528 115.1534 56.0984 37.0949 177.0719 92 E 4.0015 8.1154 120.4747 59.0110 29.6334 179.2647 93 V 3.6906 8.2337 118.7202 66.2862 31.4287 177.9182 94 D 4.4665 8.4460 117.5858 57.1919 40.6840 178.3127 95 A 4.2503 8.0588 120.6563 54.7408 18.4315 178.9348 96 A 4.6038 7.9107 118.3148 53.4834 20.5850 177.7129 97 F 5.1078 8.6073 118.2675 55.6477 39.4379 172.0300 98 P 4.4531 0.0000 0.0000 62.7223 32.0231 177.6013 99 L 4.4884 8.6009 120.8345 56.1268 42.2740 176.6288 100 E 4.7193 7.6498 116.6957 53.5976 32.0353 175.5305 101 R 2.0000 7.9415 121.2242 55.5890 30.0836 174.8430 102 P 3.9804 0.0000 0.0000 61.6353 32.5647 174.8306 103 D 4.6096 7.7377 114.8808 52.7253 39.5135 176.5197 104 W 4.2812 7.5996 119.7695 57.7148 29.4592 174.9633 105 D 4.6799 8.6204 122.8605 52.3075 41.3297 175.9810 106 Y 4.3847 8.1454 125.2603 58.8085 38.0953 176.6843 107 T 4.3192 8.2554 110.9628 62.4679 69.6517 175.0794 108 T 4.6552 7.7372 114.1898 59.8782 72.3956 174.8329 109 Q 3.9344 8.5184 123.2544 59.5399 29.0680 179.0752 110 R 3.9496 7.9602 118.7454 59.0761 30.2075 178.9922 111 G 3.5958 8.1250 105.5201 47.9495 0.0000 175.9201 112 R 3.9962 8.2308 120.7637 59.0580 30.1197 178.9807 113 N 4.2958 8.3966 116.7036 56.5264 38.4105 177.1643 114 H 3.6401 7.9756 117.7215 58.5423 28.4267 177.9116 115 L 4.0267 7.4959 120.7459 57.6516 41.5070 179.4767 116 V 3.5982 7.7912 118.2386 66.0752 31.3284 177.8762 117 L 4.2487 7.7602 121.0865 57.6952 41.8577 178.1033 118 Y 4.3096 8.3429 119.7835 61.1087 38.8178 178.5103 119 R 3.9992 8.5081 118.9991 59.2437 29.6396 179.0551 120 Q 4.0186 8.2635 117.8571 59.1150 28.7577 178.9833 121 L 4.0004 8.2760 120.1802 57.5117 41.3819 179.3314 122 L 3.8687 8.0464 119.8884 57.9922 42.1216 178.4163 123 L 4.0495 7.7369 118.7336 58.0943 42.2910 178.3906 124 A 4.5184 7.4783 122.0878 54.4754 18.1880 180.3743 125 G 3.5292 8.0908 101.2023 45.8817 0.0000 175.1956 *127 Q 4.3160 7.9796 120.8054 55.8124 30.6170 177.6054 128 N 4.4430 8.5014 113.8334 56.0042 38.7780 176.6767 129 A 4.2010 8.4072 121.1812 54.8781 18.7486 178.9949 130 G 3.5999 8.2673 104.2066 48.5653 0.0000 173.6552 131 R 4.0742 7.6196 122.3473 56.2383 30.0446 176.2362 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 P 0.00 3.90 0.00 0.49 1.00 0.00 2.33 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.81 0.00 2 L 8.10 5.23 0.00 1.47 1.41 0.72 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 R 9.17 4.66 0.00 1.96 1.48 0.00 2.71 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 *5 G 9.08 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 0.00 0.00 0.00 6 G 8.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.72 0.00 2.83 2.92 0.00 0.00 6.02 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 8 G 8.24 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 9 Q 7.98 4.49 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 10 L 8.79 4.44 0.00 1.76 1.58 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.52 4.82 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 12 Y 8.78 5.24 0.00 2.80 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 13 W 7.49 5.16 0.00 3.08 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 14 P 0.00 4.06 0.00 2.23 2.18 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 15 F 8.09 4.19 0.00 3.14 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.68 4.35 0.00 3.95 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 17 S 8.65 3.95 0.00 4.16 4.13 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 18 S 7.79 4.15 0.00 3.79 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 19 D 7.63 3.60 0.00 2.21 1.54 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 0.00 0.00 0.00 0.00 20 L 6.71 3.44 0.00 1.09 1.17 0.65 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.83 4.33 0.00 2.94 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 22 N 8.21 4.34 0.00 2.65 2.83 0.00 0.00 6.94 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 23 W 7.73 4.45 0.00 3.44 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 24 K 8.21 4.17 0.00 2.03 2.11 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.56 7.81 25 N 8.79 4.50 0.00 2.77 2.90 0.00 0.00 7.07 8.11 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 26 N 7.89 4.92 0.00 2.93 2.89 0.00 0.00 6.75 8.11 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 27 N 7.21 5.11 0.00 2.86 2.69 0.00 0.00 6.93 7.68 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 28 P 0.00 4.54 0.00 2.03 1.99 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 29 S 9.31 4.43 0.00 4.06 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 30 F 8.76 4.12 0.00 3.12 3.43 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 31 S 8.15 4.13 0.00 3.98 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 32 E 7.95 4.34 0.00 2.10 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 2.34 2.32 0.00 33 D 7.97 4.42 0.00 2.59 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 34 P 0.00 3.82 0.00 1.83 0.94 0.00 3.75 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 1.85 1.55 0.00 35 G 7.74 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 36 K 7.81 4.03 0.00 1.82 2.07 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.61 7.81 37 L 7.81 4.08 0.00 1.88 1.81 1.11 0.74 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 38 T 8.21 3.90 4.32 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 1.25 0.00 0.00 39 A 8.13 3.96 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 40 L 7.81 3.67 0.00 1.61 1.66 0.76 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.01 3.50 1.87 0.00 0.00 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 1.26 0.40 0.85 0.00 0.00 42 E 8.42 3.88 0.00 2.05 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 0.00 2.29 2.32 0.00 43 S 7.91 4.12 0.00 3.95 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 44 V 7.54 3.61 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 1.12 0.00 0.00 -0.02 0.00 0.00 45 L 8.10 4.00 0.00 1.81 1.76 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.44 4.24 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 1.23 0.00 0.00 47 T 8.30 4.00 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 1.25 0.00 0.00 48 H 8.74 4.66 0.00 3.45 3.24 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.69 3.46 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 50 P 0.00 4.37 0.00 2.25 2.09 0.00 3.98 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 2.07 2.07 0.00 51 T 8.73 4.41 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 1.26 0.00 0.00 52 W 8.74 3.87 0.00 3.09 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 53 D 8.32 4.33 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.52 0.00 2.97 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 55 C 8.29 4.21 0.00 3.09 3.05 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 56 Q 7.57 3.74 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 1.32 1.29 0.00 57 Q 8.05 3.96 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 58 L 8.19 3.80 0.00 2.02 1.85 0.71 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.27 4.03 0.00 1.62 1.61 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.28 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.20 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 0.99 0.00 0.00 62 L 7.77 4.34 0.00 1.66 1.74 0.95 1.09 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 63 L 7.31 4.91 0.00 1.56 1.43 0.53 0.59 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 64 T 8.90 4.33 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 1.27 0.00 0.00 65 G 8.59 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 66 E 8.09 4.04 0.00 2.04 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 0.00 2.41 2.41 0.00 67 E 8.19 3.98 0.00 2.14 1.84 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 2.55 2.39 0.00 68 K 8.19 3.80 0.00 1.73 1.95 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 69 Q 8.17 3.98 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 70 R 7.93 3.85 0.00 2.02 2.12 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 71 V 7.71 3.48 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 0.94 0.00 0.00 0.57 0.00 0.00 72 L 8.15 3.99 0.00 1.91 1.88 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.12 3.93 0.00 1.97 1.76 0.93 1.14 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 74 E 8.14 3.93 0.00 2.02 1.94 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 2.51 2.55 0.00 75 A 7.91 3.86 0.19 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 76 R 7.62 3.81 0.00 1.98 2.01 0.00 3.41 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 77 K 7.77 4.07 0.00 1.73 1.94 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 78 A 7.29 4.36 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 79 V 7.16 3.76 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 1.02 0.00 0.00 1.07 0.00 0.00 80 R 8.27 4.97 0.00 1.81 1.79 0.00 3.26 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 81 G 8.80 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 82 N 8.62 4.40 0.00 2.83 2.98 0.00 0.00 5.95 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 83 D 8.10 4.49 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 84 G 8.27 3.90 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 0.00 0.00 0.00 85 R 7.89 4.67 0.00 2.09 1.82 0.00 3.15 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 86 P 0.00 4.69 0.00 2.03 2.00 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 87 T 8.34 4.70 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 1.26 0.00 0.00 88 Q 8.49 4.57 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 89 L 7.89 4.09 0.00 1.75 1.64 0.98 0.81 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 90 P 0.00 4.31 0.00 2.17 2.14 0.00 3.62 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 91 N 8.15 4.38 0.00 3.02 3.10 0.00 0.00 6.27 7.66 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 92 E 8.12 4.00 0.00 2.21 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 0.00 2.43 2.39 0.00 93 V 8.23 3.69 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 1.22 0.00 0.00 1.03 0.00 0.00 94 D 8.45 4.47 0.00 2.79 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 95 A 8.06 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 96 A 7.91 4.60 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.61 5.11 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 98 P 0.00 4.45 0.00 1.96 1.78 0.00 4.10 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.55 0.00 99 L 8.60 4.49 0.00 1.75 1.89 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.65 4.72 0.00 1.78 1.68 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 2.22 2.26 0.00 101 R 7.94 2.00 0.00 1.33 1.44 0.00 3.07 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.07 0.00 102 P 0.00 3.98 0.00 0.49 0.68 0.00 2.28 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.74 4.61 0.00 2.70 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 0.00 104 W 7.60 4.28 0.00 3.31 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 0.00 105 D 8.62 4.68 0.00 2.59 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 0.00 106 Y 8.15 4.38 0.00 3.13 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 0.00 107 T 8.26 4.32 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 1.01 0.00 0.00 108 T 7.74 4.66 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 1.18 0.00 0.00 109 Q 8.52 3.93 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 110 R 7.96 3.95 0.00 1.88 1.94 0.00 3.19 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 111 G 8.13 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 0.00 112 R 8.23 4.00 0.00 2.03 2.01 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.01 0.00 113 N 8.40 4.30 0.00 2.70 2.73 0.00 0.00 7.03 7.70 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 0.00 114 H 7.98 3.64 0.00 2.28 1.31 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.50 4.03 0.00 1.89 1.81 1.11 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.79 3.60 2.18 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 1.00 0.00 0.00 0.94 0.00 0.00 117 L 7.76 4.25 0.00 1.80 1.81 1.02 0.69 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 0.00 118 Y 8.34 4.31 0.00 3.51 3.36 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 0.00 119 R 8.51 4.00 0.00 2.12 2.03 0.00 3.25 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.04 0.00 120 Q 8.26 4.02 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 121 L 8.28 4.00 0.00 2.03 1.54 1.18 0.84 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 0.00 122 L 8.05 3.87 0.00 1.63 1.84 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.74 4.05 0.00 1.67 1.86 0.91 0.88 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 0.00 124 A 7.48 4.52 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 0.00 125 G 8.09 3.53 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 0.00 0.00 0.00 *127 Q 7.98 4.32 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 128 N 8.50 4.44 0.00 2.65 2.86 0.00 0.00 7.09 7.01 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 0.00 129 A 8.41 4.20 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 0.00 130 G 8.27 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 0.00 131 R 7.62 4.07 0.00 1.96 1.84 0.00 3.19 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 * Residues marked with a * may have inaccurate shift predictions.