NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 R 4.4132 8.1133 119.0797 56.3309 32.3103 177.6017 33 E 3.9243 8.1911 118.5507 58.9541 29.3563 177.7898 34 Q 4.0615 8.5025 119.5153 58.7829 29.2635 178.0355 35 A 4.0077 8.0431 121.4042 55.1381 18.4013 179.4416 36 R 3.8746 7.8438 116.9462 59.7165 30.1779 178.7913 37 L 4.2152 7.9027 118.2503 57.8745 41.5811 179.4911 38 L 4.0185 8.3548 119.2822 57.7176 41.4551 179.5514 39 K 4.0046 8.2669 119.6481 59.1970 32.0472 178.5697 40 E 4.0738 8.7258 119.5222 59.5119 29.5047 178.8830 41 L 3.6660 8.2963 119.8867 58.2048 41.9733 178.7501 42 A 3.9528 8.0869 120.4311 55.5713 18.3680 179.4448 43 D 4.3159 8.5075 117.5438 57.2787 40.6062 178.9510 44 I 3.7219 7.8313 119.9741 64.5485 37.2469 177.8761 45 Q 4.0777 7.7894 118.7895 59.2867 28.9995 177.7113 46 Q 4.0955 8.1247 119.4911 56.9485 29.3242 177.2807 47 L 4.4545 8.1819 120.2712 53.2061 41.2042 179.1357 *64 G 4.1869 9.5217 117.6995 46.8565 0.0000 175.3674 65 V 5.3576 8.9603 111.3554 59.8349 35.8188 174.1029 66 S 4.7677 9.0742 116.2072 58.4586 66.7152 172.5861 67 A 5.1979 8.2907 119.2145 51.4541 21.8010 175.8100 68 Q 4.4835 8.9558 118.2727 53.9495 33.6062 175.0021 69 I 4.2661 7.9649 115.4359 60.7554 39.3256 175.0490 70 V 4.1682 8.4744 122.9864 61.5524 34.0587 175.9603 71 G 3.6204 9.4523 115.8069 46.5412 0.0000 174.6887 72 G 3.8105 8.3298 106.0445 45.3066 0.0000 173.6943 73 D 4.7003 7.9341 121.0626 52.6520 41.3497 176.8233 74 I 4.1587 8.4599 120.0449 62.9443 37.9859 175.9059 75 H 4.5692 8.8457 118.5198 55.8932 30.0847 174.3649 76 R 4.9659 8.4761 120.1316 54.4864 32.8871 174.0473 77 W 5.5251 9.4371 125.8914 54.8768 33.8790 174.1581 78 R 4.8832 9.3766 121.8514 54.6127 32.0926 174.8515 79 G 4.2745 8.5268 113.3193 44.6136 0.0000 172.3114 80 F 5.5014 9.0050 120.0819 55.5536 43.2127 174.1697 81 I 5.1790 9.1015 122.8195 59.6662 41.5391 174.1131 82 A 4.9593 8.7732 128.7375 50.7373 19.7917 177.5460 83 G 4.1088 9.0984 110.2225 46.0174 0.0000 172.1280 84 P 4.6736 0.0000 0.0000 62.1702 32.1742 176.2889 85 L 4.2635 8.3303 120.9767 55.9997 42.1699 177.2884 86 G 3.9232 9.9701 110.8978 46.5060 0.0000 173.1686 87 T 4.7716 7.4862 108.2907 58.2373 71.9458 172.7869 88 P 4.1877 0.0000 0.0000 65.1124 31.2692 177.1781 89 Y 4.9265 7.3076 115.3206 57.5229 38.4352 175.0486 90 E 4.2068 7.7990 121.6166 57.8566 29.9585 177.3657 91 G 3.9771 9.0709 113.3773 45.4336 0.0000 173.6741 92 G 3.8238 8.1447 107.4726 45.9490 0.0000 172.7467 93 H 5.3088 8.5882 118.2687 53.7910 31.5332 173.2057 94 F 4.9843 9.4252 122.8965 55.9706 41.8280 174.6973 95 T 4.8292 9.1988 120.7757 62.1200 70.5668 173.7725 96 L 4.9287 8.5419 125.4262 52.8463 45.4784 174.9368 97 D 4.9121 8.7175 122.2294 53.3047 43.3115 175.3038 98 I 4.7658 8.5859 125.2625 59.6585 41.0389 174.2756 99 V 4.4235 8.6976 128.3820 61.1470 33.4252 174.3730 100 I 4.3227 8.2488 130.3168 58.8139 38.0310 174.4633 101 P 4.4735 0.0000 0.0000 61.6285 32.0849 175.6348 102 P 4.2506 0.0000 0.0000 65.3286 31.6801 177.2028 103 D 4.9540 7.9886 116.3519 53.9363 41.1009 175.2416 104 Y 4.5290 7.9368 120.1219 57.0747 38.9401 174.6166 105 P 3.1277 0.0000 0.0000 62.5947 32.1628 176.3658 106 Y 4.3558 7.4011 117.5280 60.9698 37.7837 176.1937 107 N 4.8185 8.0579 117.0970 51.0053 40.0544 173.0554 108 P 2.9700 0.0000 0.0000 60.9256 32.1788 174.2794 109 P 4.2800 0.0000 0.0000 62.9032 32.2809 175.3595 110 K 4.4893 8.6528 121.1153 55.2705 33.9778 175.5276 111 M 5.6815 8.6847 123.4031 52.3834 35.7319 174.7638 112 K 4.8473 8.2092 119.7860 55.2476 36.8069 175.0992 113 F 4.4134 9.4853 121.5259 58.1428 39.4380 176.3788 114 V 3.8032 8.7680 124.5071 65.8628 32.1270 176.8962 115 T 4.1467 8.1204 116.0766 63.4076 68.8355 174.5127 116 K 4.1115 8.7308 126.0805 56.9044 32.5689 176.1479 117 I 5.0328 8.5060 122.1399 59.3552 40.9928 174.2318 118 W 4.1891 8.8789 135.0000 56.0987 30.3615 174.3432 119 H 5.0503 7.6749 124.4127 53.7663 32.5619 172.6548 120 P 4.0264 0.0000 0.0000 65.4523 31.2283 177.2099 121 N 4.8951 8.1372 113.8392 52.7519 38.6928 174.4304 122 I 4.6170 7.2194 118.7036 58.9791 40.8298 175.2271 123 S 4.1046 8.8391 120.7586 58.2349 62.4974 175.2092 124 S 4.5297 9.5358 123.3287 60.5880 63.2943 175.2464 125 Q 4.4274 8.1769 119.4340 57.3807 29.3117 176.3259 126 T 4.4118 7.7908 103.8546 60.5988 70.2419 175.0753 127 G 4.2507 8.7667 110.3092 46.3483 0.0000 173.4185 128 A 4.4088 7.6822 123.5565 51.8933 18.9186 176.9098 129 I 5.0750 7.9724 113.4209 59.2969 40.8695 175.2043 130 C 4.5325 8.2524 119.7433 57.6901 32.2392 171.7368 131 L 4.7306 8.0143 125.6655 52.5406 43.4983 177.4897 132 D 4.3557 8.8687 123.3318 57.7596 40.4162 179.0332 133 I 3.8276 7.8031 118.0135 63.1861 37.8429 176.6134 134 L 4.6762 7.6329 117.8656 53.2115 42.2878 176.1796 135 K 4.7141 8.0169 120.1747 56.4762 32.1398 180.0016 136 H 4.3896 9.3764 126.1430 58.7254 28.2755 175.4476 137 E 4.4143 8.0143 118.6821 55.6005 29.6892 176.0773 138 W 4.3981 7.8904 129.1613 57.1412 31.5247 175.0642 139 S 4.2800 6.4151 117.0226 55.4947 64.9088 173.0391 140 P 3.9889 0.0000 0.0000 65.2883 30.9429 177.3731 141 A 3.8911 7.6134 121.0480 53.7802 18.3407 177.3373 142 L 4.2953 6.7315 116.1697 53.7369 43.3849 176.0459 143 T 4.9635 8.1568 109.2066 59.2974 73.0212 174.6654 144 I 3.7257 8.7303 122.8341 64.8227 37.0966 178.4401 145 R 3.9820 8.2520 118.9287 59.9092 29.9005 178.3497 146 T 3.9701 8.0195 109.1292 64.7535 68.4581 176.0856 147 A 4.0516 8.1059 123.1092 55.0030 18.3998 179.4435 148 L 3.9184 8.1091 117.5409 58.1578 41.7534 179.8939 149 L 4.0200 8.4491 119.1747 57.8838 41.5455 179.5934 150 S 4.1746 8.3535 113.1754 61.2587 62.3297 176.3018 151 I 3.7783 8.0176 123.0215 64.3238 36.6125 178.1496 152 Q 4.0181 8.2950 119.6618 59.0422 29.2575 177.8471 153 A 4.1708 8.1572 122.0748 55.1498 18.4384 179.1366 154 M 3.9981 8.2059 116.8218 58.9155 32.0299 178.4448 155 L 3.8654 7.7099 117.8475 57.3595 41.8240 178.5941 156 A 4.5573 7.7393 118.2064 52.6767 20.1856 177.5067 157 D 4.7765 7.7217 116.2342 51.6673 41.9701 173.1224 158 P 4.3098 0.0000 0.0000 62.5060 32.4636 176.8976 159 V 4.1739 8.8407 122.5674 60.1379 32.1419 174.0636 160 P 4.1063 0.0000 0.0000 65.4926 31.4845 178.1354 161 T 3.9519 7.9266 106.9517 64.3876 68.4129 173.5392 162 D 4.6277 7.4583 120.0406 51.0592 41.2828 171.9158 163 P 4.9703 0.0000 0.0000 60.5234 33.9173 176.1709 164 Q 4.1242 8.4526 118.2596 56.8371 29.4689 176.0484 165 D 4.6217 7.5771 116.2885 51.4227 43.4813 175.4459 166 A 3.9061 8.4382 129.5200 55.4375 18.5300 178.7945 167 E 3.8173 8.1016 116.4923 59.5332 29.3637 179.6896 168 V 3.1409 7.2749 116.6401 65.5494 31.7337 177.6376 169 A 3.9058 7.8812 120.5861 54.9201 18.2855 179.1766 170 K 3.7111 8.6455 118.8978 60.2396 32.1695 178.5570 171 M 4.1543 8.2647 118.0087 58.6851 31.9160 177.5210 172 M 4.1375 7.7456 117.2530 57.8387 32.3992 177.5050 173 I 3.9804 7.5521 119.2892 63.5654 37.7367 176.9369 174 E 4.3438 7.8927 119.5756 58.6536 30.8313 178.0861 175 N 4.8992 8.2714 118.8419 51.7393 40.5851 173.9303 176 H 4.2984 8.7411 123.4609 58.4577 30.4034 174.6972 177 P 4.3008 0.0000 0.0000 65.2064 31.1251 178.3699 178 L 3.9537 8.2549 119.7083 57.8077 41.9875 178.5397 179 F 4.2651 8.0872 120.3935 61.4520 39.2649 177.3748 180 V 3.2220 7.7352 117.6604 65.7183 31.3283 177.6693 181 Q 3.8406 7.8508 119.2501 59.5850 28.8836 178.4080 182 T 3.5474 8.0970 116.7234 66.4543 68.2165 176.4998 183 A 3.9258 7.3957 122.5212 54.9270 18.4059 179.5909 184 K 4.1385 8.0748 119.9520 58.9829 32.1616 178.8353 185 L 3.9571 8.0416 120.6543 57.8958 41.9724 178.8620 186 W 4.3279 8.8497 119.4185 60.1745 28.8996 178.4476 187 T 4.2020 8.5600 115.8664 67.1068 67.7796 176.5374 188 E 4.0058 8.0987 118.8512 59.3665 29.4816 179.2640 189 T 3.8027 7.7856 115.2304 65.6526 68.7473 176.2243 190 F 5.0060 8.2170 116.0894 56.9528 40.8060 176.0559 191 A 4.6936 8.0161 120.8207 51.2815 19.4464 176.3918 192 K 4.1615 7.7689 123.2880 58.0194 33.2465 176.1565 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 32 R 8.11 4.41 0.00 1.75 2.00 0.00 3.22 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 33 E 8.19 3.92 0.00 2.16 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 2.46 2.52 0.00 34 Q 8.50 4.06 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 35 A 8.04 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 36 R 7.84 3.87 0.00 1.89 2.16 0.00 3.08 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 37 L 7.90 4.22 0.00 1.84 1.92 0.73 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.35 4.02 0.00 1.80 1.74 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.27 4.00 0.00 1.88 2.04 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.52 7.81 40 E 8.73 4.07 0.00 2.52 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.69 0.00 41 L 8.30 3.67 0.00 1.65 1.73 0.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.09 3.95 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 43 D 8.51 4.32 0.00 2.74 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 44 I 7.83 3.72 2.03 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.97 0.00 0.00 45 Q 7.79 4.08 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 46 Q 8.12 4.10 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 47 L 8.18 4.45 0.00 1.88 0.98 0.94 1.00 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 *64 G 9.52 4.19 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 0.00 65 V 8.96 5.36 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 0.85 0.00 0.00 1.00 0.00 0.00 66 S 9.07 4.77 0.00 3.93 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 0.00 67 A 8.29 5.20 1.24 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 0.00 0.00 68 Q 8.96 4.48 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 69 I 7.96 4.27 1.99 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 1.14 0.49 0.46 0.00 0.00 70 V 8.47 4.17 2.26 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 0.97 0.00 0.00 0.94 0.00 0.00 71 G 9.45 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 3.81 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 73 D 7.93 4.70 0.00 2.77 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 74 I 8.46 4.16 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 1.04 0.00 0.00 75 H 8.85 4.57 0.00 3.38 3.44 0.00 5.75 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.48 4.97 0.00 1.93 1.80 0.00 3.31 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 77 W 9.44 5.53 0.00 3.04 2.93 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 78 R 9.38 4.88 0.00 1.78 1.62 0.00 3.38 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.43 0.00 79 G 8.53 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 0.00 0.00 0.00 0.00 80 F 9.00 5.50 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 9.10 5.18 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.85 1.03 0.00 0.00 82 A 8.77 4.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 9.10 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 84 P 0.00 4.67 0.00 2.18 2.09 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 85 L 8.33 4.26 0.00 1.69 1.64 0.96 0.97 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 86 G 9.97 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 87 T 7.49 4.77 4.41 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 1.38 0.00 0.00 88 P 0.00 4.19 0.00 1.53 2.19 0.00 3.47 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.73 0.00 89 Y 7.31 4.93 0.00 3.30 3.27 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 90 E 7.80 4.21 0.00 2.14 1.92 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 2.38 2.34 0.00 91 G 9.07 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 92 G 8.14 3.82 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 0.00 93 H 8.59 5.31 0.00 2.90 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 9.43 4.98 0.00 3.19 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 95 T 9.20 4.83 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 1.15 0.00 0.00 96 L 8.54 4.93 0.00 1.21 1.28 0.23 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.72 4.91 0.00 2.76 2.47 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 98 I 8.59 4.77 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.49 0.51 0.00 0.00 99 V 8.70 4.42 1.98 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 0.99 0.00 0.00 0.88 0.00 0.00 100 I 8.25 4.32 1.62 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.08 0.31 0.00 0.00 101 P 0.00 4.47 0.00 2.21 2.12 0.00 3.55 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 2.11 2.10 0.00 102 P 0.00 4.25 0.00 2.07 2.14 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 103 D 7.99 4.95 0.00 2.97 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 0.00 104 Y 7.94 4.53 0.00 2.90 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 0.00 105 P 0.00 3.13 0.00 1.73 1.20 0.00 3.08 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.60 0.00 106 Y 7.40 4.36 0.00 3.23 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 0.00 107 N 8.06 4.82 0.00 2.81 2.68 0.00 0.00 6.88 8.03 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 0.00 108 P 0.00 2.97 0.00 1.57 0.85 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 109 P 0.00 4.28 0.00 1.74 1.57 0.00 2.47 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 110 K 8.65 4.49 0.00 1.61 1.67 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.27 7.81 111 M 8.68 5.68 0.00 1.72 1.83 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 112 K 8.21 4.85 0.00 1.87 1.86 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.48 7.81 113 F 9.49 4.41 0.00 2.97 3.31 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 0.00 114 V 8.77 3.80 2.22 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 0.79 0.00 0.00 0.93 0.00 0.00 115 T 8.12 4.15 4.77 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 1.53 0.00 0.00 116 K 8.73 4.11 0.00 0.80 1.24 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.07 0.49 7.81 117 I 8.51 5.03 1.94 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.86 0.34 0.00 0.00 118 W 8.88 4.19 0.00 2.42 2.70 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 0.00 119 H 7.67 5.05 0.00 2.95 2.78 0.00 5.73 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.03 0.00 2.20 1.98 0.00 3.29 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 121 N 8.14 4.90 0.00 2.73 2.84 0.00 0.00 6.67 7.45 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 0.00 122 I 7.22 4.62 1.51 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.24 0.63 0.00 0.00 123 S 8.84 4.10 0.00 3.81 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 0.00 124 S 9.54 4.53 0.00 4.22 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 0.00 125 Q 8.18 4.43 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 126 T 7.79 4.41 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 0.00 127 G 8.77 4.25 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 0.00 128 A 7.68 4.41 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 0.00 129 I 7.97 5.07 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 1.09 0.00 0.00 130 C 8.25 4.53 0.00 2.97 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 0.00 131 L 8.01 4.73 0.00 1.78 1.57 0.94 1.10 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 0.00 132 D 8.87 4.36 0.00 2.70 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 0.00 133 I 7.80 3.83 1.92 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 1.87 1.42 1.00 0.00 0.00 134 L 7.63 4.68 0.00 1.78 1.59 0.87 0.56 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 0.00 135 K 8.02 4.71 0.00 1.90 0.79 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.52 7.81 136 H 9.38 4.39 0.00 3.31 3.47 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.01 4.41 0.00 1.94 1.98 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 2.25 2.02 0.00 138 W 7.89 4.40 0.00 3.51 3.12 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 0.00 139 S 6.42 4.28 0.00 3.59 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 0.00 140 P 0.00 3.99 0.00 1.99 1.87 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 141 A 7.61 3.89 1.15 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 0.00 0.00 142 L 6.73 4.30 0.00 0.69 1.37 0.64 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.16 4.96 4.54 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 1.25 0.00 0.00 144 I 8.73 3.73 1.96 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.40 0.88 0.00 0.00 145 R 8.25 3.98 0.00 1.98 2.02 0.00 3.26 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 146 T 8.02 3.97 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 1.23 0.00 0.00 147 A 8.11 4.05 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 0.00 148 L 8.11 3.92 0.00 1.89 1.77 1.01 0.48 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 0.00 149 L 8.45 4.02 0.00 1.83 1.76 0.96 0.81 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 0.00 150 S 8.35 4.17 0.00 3.93 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 0.00 151 I 8.02 3.78 2.02 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 1.44 0.96 1.01 0.00 0.00 152 Q 8.30 4.02 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 153 A 8.16 4.17 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.21 4.00 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 155 L 7.71 3.87 0.00 1.86 1.70 0.51 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.74 4.56 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 0.00 157 D 7.72 4.78 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.31 0.00 1.91 1.75 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 159 V 8.84 4.17 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 0.98 0.00 0.00 0.91 0.00 0.00 160 P 0.00 4.11 0.00 1.97 1.95 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 161 T 7.93 3.95 4.20 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 1.16 0.00 0.00 162 D 7.46 4.63 0.00 2.70 2.52 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 0.00 163 P 0.00 4.97 0.00 2.23 2.01 0.00 3.76 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 1.82 1.99 0.00 164 Q 8.45 4.12 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 165 D 7.58 4.62 0.00 2.61 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 0.00 0.00 0.00 0.00 166 A 8.44 3.91 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 0.00 167 E 8.10 3.82 0.00 1.97 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 2.41 2.36 0.00 168 V 7.27 3.14 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 -0.37 0.00 0.00 169 A 7.88 3.91 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 0.00 170 K 8.65 3.71 0.00 1.89 2.00 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.47 7.81 171 M 8.26 4.15 0.00 2.51 2.27 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.85 0.00 172 M 7.75 4.14 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.24 0.00 173 I 7.55 3.98 1.98 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 1.58 0.69 0.89 0.00 0.00 174 E 7.89 4.34 0.00 2.00 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 2.37 2.54 0.00 175 N 8.27 4.90 0.00 2.71 2.70 0.00 0.00 6.91 7.41 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 0.00 176 H 8.74 4.30 0.00 3.41 3.32 0.00 5.73 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 0.00 177 P 0.00 4.30 0.00 2.21 2.10 0.00 3.92 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 178 L 8.25 3.95 0.00 1.85 1.97 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 179 F 8.09 4.27 0.00 3.37 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.74 3.22 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 0.94 0.00 0.00 0.97 0.00 0.00 181 Q 7.85 3.84 0.00 2.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 182 T 8.10 3.55 3.57 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 0.00 0.00 0.00 -0.68 0.00 0.00 183 A 7.40 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 K 8.07 4.14 0.00 1.70 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.28 7.81 185 L 8.04 3.96 0.00 1.86 1.87 0.86 0.91 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 0.00 186 W 8.85 4.33 0.00 3.69 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 0.00 187 T 8.56 4.20 4.56 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 1.43 0.00 0.00 188 E 8.10 4.01 0.00 2.04 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 2.49 0.00 189 T 7.79 3.80 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 -0.07 0.00 0.00 190 F 8.22 5.01 0.00 3.22 3.07 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 0.00 0.00 0.00 191 A 8.02 4.69 0.93 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 0.00 192 K 7.77 4.16 0.00 1.86 1.63 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.63 7.81 * Residues marked with a * may have inaccurate shift predictions.