NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4238 8.3044 120.3495 55.0440 33.6133 175.2535 1 N 4.3705 8.3573 121.7085 53.0448 40.9107 174.6235 2 A 4.1922 9.3458 129.6980 55.0070 19.1838 179.4256 3 D 4.3909 8.3805 119.7558 58.1053 40.9443 179.2879 4 E 3.9859 8.3895 118.3052 60.7872 29.8363 180.3029 5 W 4.1788 8.5325 130.3385 60.5128 30.6411 177.5926 6 M 4.2420 8.5464 118.0192 59.1823 31.6765 178.2032 7 T 3.8198 7.9960 115.7281 67.0111 68.5412 176.7326 8 T 3.7012 7.9455 117.6183 66.3412 68.3906 176.4561 9 F 3.7982 7.8866 122.7160 61.3271 39.2846 177.3207 10 R 3.5084 8.0153 117.7923 59.2767 29.8401 179.0100 11 E 3.8445 8.2078 118.4352 59.3096 29.0403 179.0847 12 N 4.2088 8.1142 116.7517 56.0861 38.5937 177.5475 13 I 3.3201 7.1988 120.9307 64.2739 37.1828 178.3931 14 A 4.0077 7.9540 121.7669 55.1601 18.0904 179.4558 15 Q 3.9161 8.1446 118.0952 59.4057 28.8556 178.3894 16 T 3.9382 7.3100 115.7832 65.7417 68.5122 176.2247 17 W 4.4237 7.8862 129.3445 60.1069 30.9590 177.7185 18 Q 4.1401 8.1345 116.6991 57.0446 29.4629 176.2550 19 Q 4.5641 8.1523 117.7470 54.2471 29.3809 173.2916 20 P 4.3824 0.0000 0.0000 62.9251 32.6713 175.8774 21 E 4.3439 8.6014 118.2964 57.7297 31.5019 175.7857 22 H 4.6942 7.5329 113.9533 54.6050 34.1646 171.9698 23 Y 4.9012 8.1380 116.7024 56.5420 40.8996 174.9733 24 D 5.4764 8.6218 120.3146 52.6024 45.4855 174.3444 25 L 5.0550 9.3208 124.3342 53.9496 44.3340 174.4780 26 Y 5.0381 9.2508 124.2974 56.4168 40.6254 174.8134 27 I 4.8146 8.9352 125.0332 58.5204 39.8673 172.8545 28 P 4.6270 0.0000 0.0000 63.7864 31.3772 175.0653 29 A 4.7692 8.9944 124.3532 52.9296 20.9441 176.2705 30 I 4.8267 7.5928 112.7033 60.5341 41.3381 172.7628 31 T 5.5854 9.0448 118.0352 60.0667 71.5811 172.9559 32 W 5.3633 8.7528 118.7803 55.9530 31.9676 173.1370 33 H 5.2009 8.9873 117.6645 54.8068 29.2733 175.5677 34 A 4.4433 8.9941 126.0994 54.4069 18.8227 179.1384 35 R 4.6474 7.7318 114.7145 54.7035 29.8343 179.3140 *36 F 4.2469 8.4141 119.5288 57.3968 38.9506 178.4216 37 A 3.6720 7.9591 126.8579 55.6253 18.7316 177.7583 *46 Y 4.4763 7.5924 116.7259 57.9864 38.2843 179.7611 47 N 4.8735 8.4390 115.5838 53.1424 40.4516 175.4610 48 E 4.1071 8.3606 121.1124 58.1105 31.0956 176.1925 49 R 5.0367 8.4011 121.8870 53.6910 31.8946 172.9955 50 P 4.5173 0.0000 0.0000 61.8957 32.5518 176.1299 51 W 4.7041 9.5711 131.4687 55.7612 32.1326 177.0499 52 G 4.3633 7.7208 110.5785 47.7640 0.0000 171.5746 53 G 4.1429 8.2797 107.9807 46.8170 0.0000 172.4079 54 G 4.8065 8.4609 106.8110 45.7596 0.0000 171.7482 55 F 5.8551 9.4260 121.0619 57.1755 43.5288 173.3895 56 G 4.6330 8.4096 109.5216 45.9153 0.0000 171.4738 57 L 5.2492 8.7535 119.8397 53.2601 44.5475 176.2617 58 S 4.8208 8.6435 115.6742 57.7756 67.0431 172.7883 59 R 4.8683 8.2032 115.2954 54.8619 32.9830 173.7514 60 W 5.2705 9.2969 121.4203 55.2428 30.8047 176.4388 61 D 4.8059 9.3071 126.0254 51.8969 40.7424 176.8090 62 E 4.0532 8.7134 116.1576 59.0690 29.3851 177.7868 63 K 4.1814 8.3543 116.7957 56.5477 32.5527 177.3879 64 G 3.9851 8.7111 108.0093 45.2970 0.0000 173.0262 65 N 4.9840 8.6541 117.2173 51.5232 40.9863 174.0342 66 W 4.4272 8.4690 132.0523 56.7851 32.4664 174.7901 67 H 4.7033 7.9357 122.8258 53.7538 32.3530 172.7367 68 G 3.7963 7.7996 108.0734 44.2506 0.0000 171.1693 69 L 5.5328 8.9695 122.1697 52.8195 45.0566 175.3538 70 Y 5.3624 8.4486 120.4342 55.4348 42.3186 173.9105 71 A 5.1474 9.1075 121.4051 50.8218 22.6039 174.9917 72 M 5.4062 9.5817 121.7343 54.0244 36.7153 173.6673 73 A 5.4042 9.1974 123.6631 50.4899 23.1179 175.1754 74 F 5.7506 8.5371 115.1702 55.2075 42.2477 173.6586 75 K 4.3881 8.7373 120.1593 56.1957 32.6453 177.4937 76 D 4.8399 8.9044 125.7727 52.2593 41.5635 176.7968 77 S 4.1700 8.3894 112.3240 59.5901 62.9646 174.3087 78 W 4.7436 8.6859 121.5356 56.0030 29.1531 175.3575 79 N 4.1805 8.0738 115.3127 54.8564 37.4682 173.8279 80 K 4.7346 7.4317 111.4338 53.5992 35.5018 176.5299 81 W 4.7473 8.9291 123.6487 57.3807 30.0966 175.3025 82 E 4.8526 9.4989 125.2298 53.8067 31.4776 172.9246 83 P 5.1452 0.0000 0.0000 62.5314 33.6388 174.8132 84 I 4.9704 8.9257 120.6136 59.8918 41.9761 173.3574 85 A 4.7765 8.7808 128.9286 50.5100 22.9657 176.0290 86 G 4.1061 6.5204 104.3584 46.4186 0.0000 171.0846 87 Y 5.3288 8.5967 121.1702 55.7739 41.7627 176.0766 88 G 4.5314 8.5136 112.2831 44.1502 0.0000 171.2355 89 W 5.4312 8.7868 131.6467 55.3519 34.8440 173.6917 90 E 4.4177 8.2046 124.3764 53.9996 33.5322 174.8508 91 S 4.0151 7.4807 119.6050 58.4033 63.3660 172.8265 92 T 5.0301 8.4240 123.9869 61.4411 71.1873 173.5733 93 W 4.7625 9.5156 125.1573 55.1137 32.8014 174.9411 94 R 5.3535 8.9381 122.0320 52.9167 29.6360 173.3904 95 P 4.4826 0.0000 0.0000 63.2503 32.4478 176.8552 96 L 4.5621 7.5316 118.2581 52.6201 43.7209 176.1798 97 A 3.9804 8.5050 122.5585 54.7102 18.4647 177.1961 98 D 4.7590 8.0584 116.2189 52.6546 41.2105 176.5574 99 E 4.2069 8.6767 125.1005 58.1234 29.9822 177.6575 100 N 4.1231 8.3971 117.9685 55.7051 39.2452 175.2891 101 F 4.7549 7.8941 119.3859 57.5128 40.1910 174.4592 102 H 5.3233 9.2340 118.3716 53.9314 32.2869 172.2523 103 L 5.3633 9.2258 119.8609 53.3234 45.7498 175.7801 104 G 4.8521 9.3112 108.5900 44.8327 0.0000 171.2203 105 L 5.2143 8.7208 122.0864 53.0570 45.8115 174.0692 106 G 4.6777 9.3027 115.1849 46.3001 0.0000 172.7267 107 F 5.7177 9.2211 119.8001 56.3129 41.9634 173.1420 108 T 5.2301 9.6487 113.9187 60.2922 70.8789 172.2029 109 A 5.4992 8.9666 129.0088 50.7402 22.1831 175.7562 110 G 3.9424 8.6376 107.8000 46.3183 0.0000 172.0014 111 V 5.1136 8.3787 119.3996 61.6127 35.5164 175.7395 112 T 5.2147 9.3448 120.2680 59.5916 71.6983 171.7885 113 A 5.2823 8.4413 123.3774 50.7866 22.1991 175.8386 114 R 4.4483 8.5427 118.5808 54.0608 34.5713 176.0957 115 D 3.3732 8.0520 120.4977 57.0173 41.5738 178.0931 116 N 3.8098 7.7104 115.4863 55.2663 38.6270 175.4174 117 W 4.7897 7.3004 117.3109 56.8462 29.9730 175.1433 118 N 4.2402 8.6289 110.6757 54.6579 36.3125 174.4836 119 Y 3.7884 8.0732 111.6285 58.8157 36.2025 170.4878 120 I 4.1251 7.8067 113.6578 60.1928 38.1684 174.1177 121 P 4.7583 0.0000 0.0000 63.0478 32.2011 175.4514 122 L 4.9505 9.1385 122.2694 52.2395 45.2723 174.2500 123 P 4.9153 0.0000 0.0000 62.6697 32.7436 175.6322 124 V 4.4998 8.9811 121.8781 61.1407 34.6116 174.0423 125 L 5.3083 8.7121 128.8588 53.7130 44.3708 174.9545 126 L 5.1800 9.1752 125.8251 52.2611 46.6393 174.5110 127 P 5.2315 0.0000 0.0000 62.9535 33.1418 174.9689 128 L 5.3311 9.0225 120.0128 53.2760 45.8441 175.4728 129 A 5.2948 8.7889 122.4062 50.8928 23.1376 175.1786 130 S 5.0735 8.9203 113.2884 57.2092 67.0113 173.5549 131 V 4.9439 8.8953 120.5644 60.4181 34.8108 174.5220 132 G 4.2943 8.7789 109.4121 45.6770 0.0000 171.0611 133 Y 4.3802 8.5799 120.9074 54.8263 41.1544 175.5525 134 G 3.5507 8.3814 118.8475 46.5461 0.0000 172.4135 135 P 4.5706 0.0000 0.0000 62.8261 31.6937 174.8874 136 V 4.7771 7.9603 120.8480 61.7215 33.7425 174.4301 137 T 4.9137 8.4439 123.9978 61.7180 72.8607 172.7352 138 F 4.7372 9.1014 129.0337 56.9731 40.6626 174.2052 139 Q 4.6329 7.5832 127.3744 54.2968 32.5951 173.7507 140 M 4.0497 8.1483 120.6380 53.8627 35.4082 173.1435 141 T 5.3565 8.6178 113.7016 59.4507 72.1303 171.5395 142 Y 4.8992 8.4472 123.9349 55.7202 42.1621 174.0060 143 I 4.0381 7.8581 128.2838 58.9784 38.1333 173.5059 144 P 4.4440 0.0000 0.0000 61.4914 31.9431 176.5336 145 G 4.3879 7.7315 117.2643 47.1725 0.0000 173.0553 146 T 4.3364 8.3864 115.9657 61.9942 70.4292 174.2122 *147 Y 3.5998 8.4713 129.9089 57.5934 34.5709 168.2217 148 N 4.4531 8.7821 124.9530 53.2543 37.1923 172.8160 149 N 4.7282 9.8640 114.2266 56.3761 39.9322 175.1067 150 G 3.7387 7.6833 108.1834 43.9833 0.0000 173.3019 151 N 4.4594 8.6614 120.3575 52.9310 37.9003 173.0099 152 V 4.7036 6.6243 113.7500 59.9033 35.5330 174.0312 153 Y 4.8457 8.3476 120.8803 56.5104 40.0416 174.3776 154 F 5.5528 8.9341 124.7176 56.4698 42.5536 173.4556 155 A 4.3739 9.3214 127.6010 49.5148 22.5383 174.6344 156 W 5.5239 7.2570 116.0028 54.8946 32.2730 174.2200 157 M 4.5929 8.8991 121.0945 54.7473 33.4557 175.3367 158 R 4.5157 8.5133 122.9067 54.5140 33.1758 174.0580 159 F 5.2407 8.9120 126.4932 55.8329 40.8299 174.8530 160 Q 5.0928 9.4294 126.9705 54.9985 29.7663 175.0551 161 F 5.0984 9.2362 120.4157 55.9354 42.1103 174.7579 162 L 4.1021 8.9371 118.9094 55.6140 41.7403 174.5754 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 0 M 8.30 4.42 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 1 N 8.36 4.37 0.00 2.90 2.70 0.00 0.00 6.88 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 2 A 9.35 4.19 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 3 D 8.38 4.39 0.00 2.90 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 4 E 8.39 3.99 0.00 1.97 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 2.31 1.93 0.00 5 W 8.53 4.18 0.00 3.52 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 6 M 8.55 4.24 0.00 2.26 2.29 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 2.70 2.73 0.00 7 T 8.00 3.82 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 1.19 0.00 0.00 8 T 7.95 3.70 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 1.03 0.00 0.00 9 F 7.89 3.80 0.00 1.85 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 10 R 8.02 3.51 0.00 2.01 1.82 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 11 E 8.21 3.84 0.00 2.00 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 2.25 2.46 0.00 12 N 8.11 4.21 0.00 2.73 2.84 0.00 0.00 7.01 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 13 I 7.20 3.32 1.48 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 -0.36 0.61 0.00 0.00 14 A 7.95 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 15 Q 8.14 3.92 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 16 T 7.31 3.94 4.42 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 1.13 0.00 0.00 17 W 7.89 4.42 0.00 3.32 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 18 Q 8.13 4.14 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.15 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 19 Q 8.15 4.56 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 20 P 0.00 4.38 0.00 1.90 2.07 0.00 3.62 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 21 E 8.60 4.34 0.00 1.75 1.64 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 2.15 2.14 0.00 22 H 7.53 4.69 0.00 2.94 3.15 0.00 5.58 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.14 4.90 0.00 1.43 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 0.00 0.00 0.00 24 D 8.62 5.48 0.00 2.61 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 0.00 0.00 0.00 0.00 25 L 9.32 5.06 0.00 2.01 1.84 1.14 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 9.25 5.04 0.00 3.03 2.69 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 27 I 8.94 4.81 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.35 1.03 0.00 0.00 28 P 0.00 4.63 0.00 2.39 2.51 0.00 3.88 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 2.35 2.42 0.00 29 A 8.99 4.77 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 30 I 7.59 4.83 2.06 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 1.75 1.69 1.29 0.00 0.00 31 T 9.04 5.59 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 32 W 8.75 5.36 0.00 3.45 3.40 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 33 H 8.99 5.20 0.00 3.14 3.35 0.00 5.89 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 34 A 8.99 4.44 1.51 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 35 R 7.73 4.65 0.00 1.80 1.71 0.00 3.29 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.00 *36 F 8.41 4.25 0.00 2.29 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 0.00 0.00 0.00 37 A 7.96 3.67 1.29 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 0.00 0.00 0.00 *46 Y 7.59 4.48 0.00 2.37 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 0.00 0.00 0.00 0.00 47 N 8.44 4.87 0.00 2.44 2.63 0.00 0.00 6.64 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 48 E 8.36 4.11 0.00 2.08 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 2.42 2.40 0.00 49 R 8.40 5.04 0.00 1.80 1.94 0.00 3.53 0.00 0.00 3.49 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 50 P 0.00 4.52 0.00 2.24 2.04 0.00 3.92 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 51 W 9.57 4.70 0.00 3.42 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 52 G 7.72 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 0.00 0.00 0.00 0.00 53 G 8.28 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 54 G 8.46 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.43 5.86 0.00 3.27 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 56 G 8.41 4.63 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 0.00 0.00 0.00 57 L 8.75 5.25 0.00 1.58 1.44 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.64 4.82 0.00 3.40 3.88 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 59 R 8.20 4.87 0.00 1.94 1.85 0.00 2.63 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.46 0.00 60 W 9.30 5.27 0.00 3.14 3.16 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 61 D 9.31 4.81 0.00 2.89 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 62 E 8.71 4.05 0.00 2.12 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 0.00 2.32 2.31 0.00 63 K 8.35 4.18 0.00 2.02 1.94 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.49 7.81 64 G 8.71 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 0.00 0.00 0.00 65 N 8.65 4.98 0.00 3.15 2.73 0.00 0.00 6.61 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 66 W 8.47 4.43 0.00 2.71 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 67 H 7.94 4.70 0.00 2.74 3.01 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.80 3.80 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 0.00 69 L 8.97 5.53 0.00 1.68 1.63 1.19 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.45 5.36 0.00 2.46 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 71 A 9.11 5.15 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 72 M 9.58 5.41 0.00 2.15 1.76 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.84 0.00 73 A 9.20 5.40 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 74 F 8.54 5.75 0.00 3.30 3.38 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 75 K 8.74 4.39 0.00 1.59 1.69 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.67 1.11 7.81 76 D 8.90 4.84 0.00 2.90 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 77 S 8.39 4.17 0.00 3.48 3.75 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 78 W 8.69 4.74 0.00 3.41 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 79 N 8.07 4.18 0.00 2.76 2.84 0.00 0.00 6.89 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 80 K 7.43 4.73 0.00 2.09 1.78 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.67 7.81 81 W 8.93 4.75 0.00 3.28 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 82 E 9.50 4.85 0.00 1.85 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 1.91 2.46 0.00 83 P 0.00 5.15 0.00 2.17 2.14 0.00 4.21 0.00 0.00 3.85 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 84 I 8.93 4.97 2.09 0.00 0.00 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 1.43 1.83 1.29 0.00 0.00 85 A 8.78 4.78 1.08 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 0.00 0.00 86 G 6.52 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 87 Y 8.60 5.33 0.00 2.96 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 88 G 8.51 4.53 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 89 W 8.79 5.43 0.00 3.03 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 90 E 8.20 4.42 0.00 1.74 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 2.14 2.23 0.00 91 S 7.48 4.02 0.00 3.59 3.42 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 92 T 8.42 5.03 4.45 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 1.36 0.00 0.00 93 W 9.52 4.76 0.00 3.28 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 94 R 8.94 5.35 0.00 1.65 1.84 0.00 3.16 0.00 0.00 3.36 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 95 P 0.00 4.48 0.00 2.16 2.19 0.00 3.82 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 1.94 1.99 0.00 96 L 7.53 4.56 0.00 1.66 1.56 0.20 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.50 3.98 1.30 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 0.00 0.00 98 D 8.06 4.76 0.00 2.90 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 99 E 8.68 4.21 0.00 2.06 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 2.16 2.20 0.00 100 N 8.40 4.12 0.00 1.63 1.42 0.00 0.00 6.90 7.75 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 0.00 101 F 7.89 4.75 0.00 2.99 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 0.00 102 H 9.23 5.32 0.00 3.16 3.17 0.00 5.40 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 9.23 5.36 0.00 1.79 1.66 0.90 0.64 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 0.00 104 G 9.31 4.85 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 0.00 105 L 8.72 5.21 0.00 1.97 1.84 1.12 1.13 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 G 9.30 4.68 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 0.00 107 F 9.22 5.72 0.00 3.50 3.33 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 0.00 108 T 9.65 5.23 4.42 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 1.44 0.00 0.00 109 A 8.97 5.50 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 0.00 110 G 8.64 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 0.00 111 V 8.38 5.11 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 1.01 0.00 0.00 0.96 0.00 0.00 112 T 9.34 5.21 4.39 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 1.39 0.00 0.00 113 A 8.44 5.28 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 0.00 114 R 8.54 4.45 0.00 1.84 1.75 0.00 3.42 0.00 0.00 3.58 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 115 D 8.05 3.37 0.00 2.53 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 0.00 116 N 7.71 3.81 0.00 1.44 1.42 0.00 0.00 6.70 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 0.00 117 W 7.30 4.79 0.00 3.47 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 0.00 118 N 8.63 4.24 0.00 2.93 2.95 0.00 0.00 6.84 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 8.07 3.79 0.00 3.20 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 0.00 120 I 7.81 4.13 1.92 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 1.64 0.59 1.03 0.00 0.00 121 P 0.00 4.76 0.00 2.13 2.14 0.00 3.75 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 2.03 0.00 122 L 9.14 4.95 0.00 1.57 1.54 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.92 0.00 2.11 2.07 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 124 V 8.98 4.50 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 1.18 0.00 0.00 1.08 0.00 0.00 125 L 8.71 5.31 0.00 1.70 1.57 1.14 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 126 L 9.18 5.18 0.00 1.78 1.63 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 5.23 0.00 2.28 2.33 0.00 3.93 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 128 L 9.02 5.33 0.00 1.68 1.74 1.11 0.90 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 0.00 129 A 8.79 5.29 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 0.00 130 S 8.92 5.07 0.00 3.77 3.76 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 0.00 131 V 8.90 4.94 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 0.88 0.00 0.00 0.98 0.00 0.00 132 G 8.78 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 0.00 0.00 0.00 0.00 133 Y 8.58 4.38 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 0.00 134 G 8.38 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 0.00 135 P 0.00 4.57 0.00 2.49 2.37 0.00 3.85 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 2.17 2.02 0.00 136 V 7.96 4.78 2.17 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 1.11 0.00 0.00 1.15 0.00 0.00 137 T 8.44 4.91 4.02 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 1.10 0.00 0.00 138 F 9.10 4.74 0.00 3.02 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 0.00 139 Q 7.58 4.63 0.00 1.64 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.42 0.00 0.00 0.00 0.00 0.00 1.77 2.15 0.00 140 M 8.15 4.05 0.00 1.59 1.90 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 141 T 8.62 5.36 4.55 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 1.55 0.00 0.00 142 Y 8.45 4.90 0.00 2.82 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 0.00 143 I 7.86 4.04 1.59 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 1.09 0.73 0.81 0.00 0.00 144 P 0.00 4.44 0.00 1.95 2.12 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 145 G 7.73 4.39 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 0.00 146 T 8.39 4.34 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 1.21 0.00 0.00 *147 Y 8.47 3.60 0.00 2.32 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 0.00 148 N 8.78 4.45 0.00 2.89 2.82 0.00 0.00 6.94 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 0.00 149 N 9.86 4.73 0.00 2.71 2.93 0.00 0.00 6.79 7.53 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 0.00 150 G 7.68 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.66 4.46 0.00 3.17 2.84 0.00 0.00 6.62 7.75 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 0.00 152 V 6.62 4.70 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 0.67 0.00 0.00 0.78 0.00 0.00 153 Y 8.35 4.85 0.00 1.43 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 0.00 154 F 8.93 5.55 0.00 2.84 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 0.00 155 A 9.32 4.37 0.77 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 0.00 0.00 156 W 7.26 5.52 0.00 3.36 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 0.00 157 M 8.90 4.59 0.00 1.23 1.96 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 2.73 2.73 0.00 158 R 8.51 4.52 0.00 1.58 1.41 0.00 2.83 0.00 0.00 2.94 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 159 F 8.91 5.24 0.00 3.14 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 0.00 160 Q 9.43 5.09 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 161 F 9.24 5.10 0.00 3.14 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 0.00 162 L 8.94 4.10 0.00 1.96 1.76 1.29 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.