NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 W 5.1850 8.2749 130.5408 57.6659 31.9487 173.8463 10 H 4.7003 7.5132 115.3264 53.5069 32.1977 171.6731 11 W 5.2842 8.2748 121.6797 55.2686 33.7037 173.4807 12 V 4.7310 8.3092 119.6622 63.2229 34.4589 174.5450 13 D 5.1139 8.7533 118.3735 52.7917 42.9120 176.5008 14 K 4.4253 8.4531 122.9039 54.1796 34.3533 174.8847 15 N 4.6593 8.7033 125.6108 53.7394 40.3136 174.5958 16 C 4.8181 8.6121 119.7787 58.2473 30.2205 176.6588 17 I 4.0340 8.2852 122.5520 64.0112 37.3733 177.1178 18 G 3.7120 8.1219 105.8415 47.8900 0.0000 174.6683 19 W 4.2396 8.6391 130.2493 59.2723 30.5654 177.3576 20 A 4.1175 8.9157 119.5997 55.4850 18.0536 179.4585 21 K 3.8967 8.1228 116.6204 60.0428 32.2284 179.1581 22 E 3.9213 8.5716 118.5547 59.9257 29.4942 178.3373 23 Y 3.6553 7.4437 118.2757 61.3170 38.6393 178.3938 24 F 4.0150 8.4539 118.6007 60.1180 38.6058 177.7532 25 K 3.9201 7.6856 119.8265 59.5415 31.7307 178.2758 26 Q 3.8903 8.0651 119.2259 59.2740 29.0394 178.1711 27 K 3.9730 7.5363 119.0892 59.3283 32.3138 179.3645 28 L 4.2040 8.0810 119.4553 56.4405 41.5061 177.0536 29 V 3.7417 6.9246 119.5105 65.4622 31.7367 174.3050 30 G 3.9859 8.9011 119.7524 46.7019 0.0000 173.8756 31 V 3.4191 7.3172 120.6014 61.6047 32.3246 174.5850 32 E 4.6826 8.3483 122.9300 54.3152 32.1165 174.8253 33 A 4.2784 8.4004 125.8797 53.9176 19.7472 174.9267 34 G 4.3445 8.7150 109.9556 45.2246 0.0000 171.6636 35 S 4.5891 7.7265 112.9727 57.2394 65.6753 173.3371 36 V 2.6061 7.2482 126.6590 63.0366 36.1880 174.0069 37 K 4.0264 8.3419 117.3695 59.8943 33.2141 176.6709 38 D 4.4153 7.7756 119.0714 53.1084 41.7247 177.9434 39 K 4.6227 8.6085 118.8859 56.6602 31.5571 177.0310 40 K 5.0858 8.2285 120.1084 54.8737 33.2191 174.4680 41 Y 5.0760 9.2705 123.7020 56.0859 43.2702 173.1436 42 A 4.6246 7.0253 123.8507 50.5628 23.2379 175.4329 43 K 4.6209 9.1605 121.7346 54.9189 36.3684 175.5658 44 I 3.8546 7.9985 122.2274 60.1278 37.7428 175.4747 45 K 3.7541 8.4864 127.7184 59.9664 31.5786 175.9946 46 S 4.7230 7.9885 110.4049 56.5817 67.0862 174.3506 47 V 3.9120 8.4719 121.3651 64.0482 31.5620 174.7195 48 S 4.7822 9.0474 120.7449 59.4967 63.9652 174.1785 49 S 4.6722 7.7026 112.5439 57.2677 66.3701 172.9632 50 I 5.6355 8.0574 121.4658 59.3294 38.2099 173.0038 51 E 4.6050 9.4371 124.8079 53.5870 32.2137 176.1573 52 G 4.4128 8.0218 109.9451 45.0287 0.0000 170.9454 53 D 4.8028 7.9242 119.0529 53.9669 42.9924 176.2799 54 C 5.0348 8.4449 119.1761 59.1600 33.7077 171.2584 55 E 4.8939 8.5898 123.4678 54.3360 32.4630 175.0392 56 V 3.9446 8.3352 125.9608 62.7363 33.0698 174.7696 57 N 5.1025 9.4717 124.2664 51.8361 42.7896 173.6644 58 Q 4.9019 8.2592 115.1587 54.5866 30.9827 173.7963 59 R 4.5337 8.2028 122.0374 55.7063 32.6485 176.1135 60 K 3.9535 8.3667 121.5990 58.0203 29.5114 177.6600 61 G 3.9590 8.7457 115.8867 46.0017 0.0000 172.3294 62 K 4.5090 7.2377 117.5860 54.3595 34.4906 175.8468 63 V 4.3015 7.9140 121.2419 62.3811 32.8003 175.1854 64 I 4.6763 8.5264 119.0342 59.7398 41.4189 174.1397 65 S 4.6908 8.4042 118.9664 57.1299 64.8232 173.7640 66 L 4.0617 8.2879 129.7657 53.8028 42.5339 176.9037 67 F 4.5144 7.6265 113.3819 58.3833 38.9533 174.2844 68 D 4.7500 9.5209 120.1720 53.8177 43.0003 174.4221 69 L 4.7204 9.4149 125.5875 53.1273 44.7583 174.9201 70 K 4.8235 8.4180 120.0838 54.9593 35.9544 174.9604 71 I 4.9967 8.6821 126.3425 59.8457 41.5469 174.2869 72 T 5.0942 8.8221 122.3463 61.8812 71.8926 173.5085 73 V 4.8062 8.6534 118.5986 59.5093 36.2181 174.3419 74 L 5.2150 8.5367 123.0823 53.2676 43.7366 175.7262 75 I 5.0100 9.3350 117.5602 59.1341 40.9612 174.2699 76 E 5.1602 8.9091 123.4226 54.9619 33.6955 175.0525 77 G 3.7770 7.4905 108.4575 46.1732 0.0000 171.3657 78 H 4.8794 8.8487 114.9343 55.9195 32.3283 175.0328 79 V 5.2046 9.3660 116.2120 61.5396 31.3271 176.4378 80 D 5.0519 8.4470 114.0511 53.2944 42.8548 175.8848 81 S 4.5697 8.1466 114.2377 58.3014 62.8686 175.3295 82 K 4.1121 9.4741 115.8482 59.1537 32.0715 176.9825 83 D 4.4471 8.0221 117.7678 53.6647 40.1508 175.0336 84 G 3.8875 7.6804 116.4935 47.6088 0.0000 170.5680 85 S 4.2476 7.7797 116.4990 58.5118 65.3661 172.1858 86 A 3.6195 7.9957 130.1167 51.3989 15.1631 176.9389 87 L 4.2979 8.3822 121.5316 53.4826 40.5356 174.2899 88 P 4.0698 0.0000 0.0000 62.0469 31.6139 175.6335 89 F 5.2482 8.3682 118.0396 55.1353 41.7571 173.8231 90 E 5.2474 8.6166 116.8371 55.3808 34.2952 175.1892 91 G 4.7254 8.5520 107.8616 46.5580 0.0000 171.7460 92 S 5.3949 8.2726 113.8557 56.8275 67.5181 173.3707 93 I 4.9101 8.7419 119.6459 59.8595 40.7090 174.1036 94 N 5.1663 8.9062 127.2665 52.0820 40.6704 173.7057 95 V 4.7678 9.3226 127.9204 59.9991 32.4768 174.5729 96 P 4.2451 0.0000 0.0000 65.3708 32.0847 176.6095 97 E 4.6374 7.7945 120.3470 54.4587 32.5671 174.9732 98 V 4.5576 9.0259 126.9154 61.1283 33.7716 173.7531 99 A 4.7684 9.3126 129.3561 49.3138 22.7958 176.1848 100 F 3.9663 7.2138 113.8306 60.3562 36.8750 177.4790 101 D 4.2167 6.0500 117.3068 54.2089 39.3671 176.1558 102 S 3.6758 7.3626 116.6985 59.1098 63.1478 174.3889 103 E 4.3373 8.7805 126.3122 55.1779 31.0951 177.1805 104 A 4.4565 8.5123 121.5613 55.1940 18.5941 178.6285 105 S 4.6678 7.9057 107.7005 58.6413 63.7607 175.5408 106 S 4.0269 7.3796 116.6343 61.8996 62.7052 174.2651 107 Y 4.1261 6.5467 116.5250 58.5721 38.5700 176.0499 108 Q 4.5630 8.0994 120.3197 54.0665 32.8041 174.7327 109 F 4.6457 8.6230 120.5988 55.8581 41.3874 174.5500 110 D 4.6397 8.9009 125.5178 53.3090 41.0451 174.3119 111 I 4.8195 8.1055 125.9417 60.0516 38.8108 175.8138 112 S 4.2953 8.3940 121.1198 57.1931 65.9311 173.2369 113 I 4.3427 8.1786 126.8196 60.0278 36.4904 176.1056 114 F 4.1151 9.5445 127.4753 57.9705 40.0846 175.9948 115 K 4.0999 8.9610 120.3365 57.2306 29.6429 175.4585 116 E 4.1804 7.4725 118.8772 56.5204 30.1433 176.0174 117 T 4.7494 7.9233 112.7154 59.6427 72.1430 173.8964 118 S 4.1665 8.8864 119.4022 62.2828 63.4421 175.3326 119 E 4.5020 7.9223 119.3244 54.0484 27.3462 175.7921 120 L 4.7221 7.2003 117.2962 54.6302 45.5448 176.1860 121 S 4.5194 7.6393 113.3490 57.4039 60.8519 173.9373 122 E 4.5686 7.3414 115.2048 55.9867 31.9232 176.3866 123 A 3.7436 7.1560 120.8906 54.2826 18.0026 179.8650 124 K 3.6721 7.8225 114.1663 58.9185 32.6973 177.4394 125 P 4.2708 0.0000 0.0000 65.7249 31.2293 178.3516 126 L 3.8896 7.7257 118.6964 58.3111 42.2604 178.9236 127 I 3.6484 7.6904 119.2371 64.4446 36.7602 178.5863 128 R 3.8428 8.2355 118.5864 59.2360 30.0627 178.9041 129 S 4.2786 7.8658 112.7433 61.0442 62.8469 175.0139 130 E 4.4831 8.0998 118.0825 56.1034 32.2893 177.4821 131 L 4.0276 7.7392 119.6171 57.4991 42.0134 178.9192 132 L 3.3473 7.5401 119.0217 56.9338 41.5273 177.3286 133 P 4.2485 0.0000 0.0000 65.9304 30.7086 178.3520 134 K 4.7388 7.3187 119.6634 58.4903 32.0558 179.1658 135 L 3.5166 7.2044 118.6505 57.5002 41.4065 179.7064 136 R 3.8379 8.1212 118.3946 59.2993 30.0705 179.0011 137 Q 4.0322 7.6473 117.5861 59.3543 28.7668 178.5777 138 I 3.6768 7.7470 120.6579 64.6703 37.1045 178.0926 139 F 4.8089 8.1143 118.4055 61.3444 38.6797 177.9557 140 Q 4.4756 8.3147 115.8144 58.3733 28.7622 177.7540 141 Q 4.4389 8.8208 120.5609 57.6277 29.7184 176.8681 142 F 4.3924 8.4798 121.6696 61.1350 39.2222 177.4370 143 G 3.7191 8.2831 104.9606 47.7616 0.0000 175.7771 144 K 3.9483 7.9651 121.2417 59.0748 32.0934 179.1386 145 D 4.6149 7.8131 117.3819 56.7289 40.7008 177.8680 146 L 3.6416 6.8596 118.0550 56.2034 42.5317 178.2905 147 L 3.9859 7.4818 118.8783 57.1108 42.8038 177.5434 148 A 4.4429 7.8677 122.0050 49.7595 16.8958 176.7413 149 T 4.1672 7.0114 116.1981 63.1537 72.4582 173.4587 150 H 4.7181 7.9403 116.8560 56.4576 35.8310 175.1720 151 G 3.5999 9.0918 109.3281 47.6830 0.0000 172.3648 152 N 4.0424 7.8963 126.5616 53.3456 38.2931 173.1516 153 D 4.8296 7.7585 124.0672 51.1648 44.0809 175.9731 *154 I 4.0436 8.1799 112.8248 61.9164 36.1723 171.7160 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 9 W 8.27 5.19 0.00 3.25 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 10 H 7.51 4.70 0.00 2.84 3.04 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.27 5.28 0.00 3.19 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 12 V 8.31 4.73 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 1.02 0.00 0.00 0.91 0.00 0.00 13 D 8.75 5.11 0.00 2.59 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 14 K 8.45 4.43 0.00 1.87 1.80 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.35 7.81 15 N 8.70 4.66 0.00 2.81 2.73 0.00 0.00 7.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.61 4.82 0.00 3.07 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 17 I 8.29 4.03 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.31 1.02 0.00 0.00 18 G 8.12 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 19 W 8.64 4.24 0.00 3.46 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 20 A 8.92 4.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.12 3.90 0.00 2.10 1.96 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.70 7.81 22 E 8.57 3.92 0.00 1.94 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 2.48 2.47 0.00 23 Y 7.44 3.66 0.00 1.60 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 24 F 8.45 4.02 0.00 3.24 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 25 K 7.69 3.92 0.00 1.84 1.92 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 26 Q 8.07 3.89 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 27 K 7.54 3.97 0.00 1.52 1.66 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.81 0.75 7.81 28 L 8.08 4.20 0.00 1.84 1.71 0.99 0.77 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 29 V 6.92 3.74 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 30 G 8.90 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 31 V 7.32 3.42 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 0.87 0.00 0.00 0.88 0.00 0.00 32 E 8.35 4.68 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 33 A 8.40 4.28 1.16 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 0.00 0.00 34 G 8.71 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.73 4.59 0.00 3.83 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 36 V 7.25 2.61 1.88 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 0.51 0.00 0.00 0.71 0.00 0.00 37 K 8.34 4.03 0.00 1.85 1.83 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.36 7.81 38 D 7.78 4.42 0.00 2.81 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 39 K 8.61 4.62 0.00 1.87 2.13 0.00 1.92 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.44 7.81 40 K 8.23 5.09 0.00 1.61 1.74 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.56 7.81 41 Y 9.27 5.08 0.00 2.96 2.66 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 0.00 0.00 0.00 0.00 42 A 7.03 4.62 1.17 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 0.00 0.00 43 K 9.16 4.62 0.00 1.74 1.86 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.30 7.81 44 I 8.00 3.85 1.82 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 1.10 1.37 0.97 0.00 0.00 45 K 8.49 3.75 0.00 1.82 1.79 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.43 7.81 46 S 7.99 4.72 0.00 3.88 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 47 V 8.47 3.91 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 0.76 0.00 0.00 0.96 0.00 0.00 48 S 9.05 4.78 0.00 3.90 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 49 S 7.70 4.67 0.00 3.88 3.89 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 50 I 8.06 5.64 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 1.19 1.66 0.88 0.00 0.00 51 E 9.44 4.61 0.00 1.92 1.86 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 2.32 2.29 0.00 52 G 8.02 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 0.00 0.00 0.00 0.00 53 D 7.92 4.80 0.00 2.80 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 54 C 8.44 5.03 0.00 3.23 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 55 E 8.59 4.89 0.00 1.87 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 2.26 2.36 0.00 56 V 8.34 3.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.81 0.00 0.00 57 N 9.47 5.10 0.00 2.60 2.69 0.00 0.00 6.40 7.82 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 58 Q 8.26 4.90 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.88 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 59 R 8.20 4.53 0.00 1.87 1.80 0.00 3.26 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 60 K 8.37 3.95 0.00 1.87 1.26 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.39 7.81 61 G 8.75 3.96 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 0.00 0.00 0.00 62 K 7.24 4.51 0.00 1.73 1.66 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.29 7.81 63 V 7.91 4.30 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 0.74 0.00 0.00 0.83 0.00 0.00 64 I 8.53 4.68 1.76 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 1.05 0.47 0.83 0.00 0.00 65 S 8.40 4.69 0.00 3.90 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 66 L 8.29 4.06 0.00 1.57 1.45 0.75 -0.16 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 67 F 7.63 4.51 0.00 3.42 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 68 D 9.52 4.75 0.00 2.75 2.60 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 69 L 9.41 4.72 0.00 1.73 1.49 0.95 1.04 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 70 K 8.42 4.82 0.00 1.77 1.73 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.53 7.81 71 I 8.68 5.00 1.57 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.43 0.75 0.00 0.00 72 T 8.82 5.09 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 1.25 0.00 0.00 73 V 8.65 4.81 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.05 0.00 0.00 74 L 8.54 5.21 0.00 1.75 1.59 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 75 I 9.33 5.01 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 0.92 0.00 0.00 76 E 8.91 5.16 0.00 1.82 1.72 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 2.19 2.21 0.00 77 G 7.49 3.78 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 0.00 0.00 0.00 78 H 8.85 4.88 0.00 3.17 3.25 0.00 5.41 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 9.37 5.20 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 1.26 0.00 0.00 1.20 0.00 0.00 80 D 8.45 5.05 0.00 2.85 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 81 S 8.15 4.57 0.00 3.96 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 82 K 9.47 4.11 0.00 1.78 1.93 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.45 7.81 83 D 8.02 4.45 0.00 2.73 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 84 G 7.68 3.89 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 0.00 0.00 0.00 85 S 7.78 4.25 0.00 3.96 3.96 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 86 A 8.00 3.62 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 87 L 8.38 4.30 0.00 1.77 1.75 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.07 0.00 2.02 1.98 0.00 3.62 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 89 F 8.37 5.25 0.00 3.07 3.20 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 90 E 8.62 5.25 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 91 G 8.55 4.73 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 0.00 92 S 8.27 5.39 0.00 4.06 4.18 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 0.00 0.00 0.00 0.00 93 I 8.74 4.91 1.96 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 1.16 0.69 1.14 0.00 0.00 94 N 8.91 5.17 0.00 2.80 2.68 0.00 0.00 6.37 7.72 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 95 V 9.32 4.77 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 0.92 0.00 0.00 1.10 0.00 0.00 96 P 0.00 4.25 0.00 2.04 2.10 0.00 3.78 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 1.87 1.87 0.00 97 E 7.79 4.64 0.00 1.85 1.69 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 2.04 2.42 0.00 98 V 9.03 4.56 1.90 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 1.16 0.00 0.00 0.05 0.00 0.00 99 A 9.31 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.21 3.97 0.00 2.99 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 0.00 101 D 6.05 4.22 0.00 2.51 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 0.00 0.00 0.00 102 S 7.36 3.68 0.00 3.99 3.25 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 0.00 103 E 8.78 4.34 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 104 A 8.51 4.46 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 0.00 105 S 7.91 4.67 0.00 4.01 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 0.00 106 S 7.38 4.03 0.00 3.39 3.58 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 0.00 107 Y 6.55 4.13 0.00 2.93 2.67 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 0.00 108 Q 8.10 4.56 0.00 1.77 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 109 F 8.62 4.65 0.00 2.94 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 0.00 110 D 8.90 4.64 0.00 2.77 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 0.00 111 I 8.11 4.82 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 1.43 0.93 0.86 0.00 0.00 112 S 8.39 4.30 0.00 3.57 3.79 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 0.00 113 I 8.18 4.34 1.75 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.53 0.88 0.00 0.00 114 F 9.54 4.12 0.00 3.17 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 0.00 115 K 8.96 4.10 0.00 2.01 1.95 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.52 7.81 116 E 7.47 4.18 0.00 2.23 1.81 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 2.28 2.17 0.00 117 T 7.92 4.75 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 1.23 0.00 0.00 118 S 8.89 4.17 0.00 3.90 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 0.00 119 E 7.92 4.50 0.00 1.97 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 2.32 2.34 0.00 120 L 7.20 4.72 0.00 1.85 1.50 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.64 4.52 0.00 4.08 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 0.00 122 E 7.34 4.57 0.00 1.88 1.90 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 2.11 2.17 0.00 123 A 7.16 3.74 0.75 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 0.00 0.00 124 K 7.82 3.67 0.00 1.73 1.84 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 125 P 0.00 4.27 0.00 2.45 2.12 0.00 3.40 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 2.09 2.15 0.00 126 L 7.73 3.89 0.00 1.86 1.83 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.69 3.65 1.93 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 1.60 0.96 0.82 0.00 0.00 128 R 8.24 3.84 0.00 1.69 1.96 0.00 3.17 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 129 S 7.87 4.28 0.00 4.02 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 0.00 130 E 8.10 4.48 0.00 1.96 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 2.19 2.19 0.00 131 L 7.74 4.03 0.00 1.63 1.72 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.54 3.35 0.00 1.48 0.95 0.76 -0.16 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 0.00 133 P 0.00 4.25 0.00 2.22 2.30 0.00 3.50 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 134 K 7.32 4.74 0.00 1.73 1.84 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.41 7.81 135 L 7.20 3.52 0.00 1.42 0.97 0.69 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.12 3.84 0.00 2.00 2.13 0.00 3.28 0.00 0.00 3.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 137 Q 7.65 4.03 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 138 I 7.75 3.68 1.63 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.65 0.93 0.00 0.00 139 F 8.11 4.81 0.00 2.31 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 0.00 140 Q 8.31 4.48 0.00 2.47 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.89 2.74 0.00 141 Q 8.82 4.44 0.00 2.24 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 142 F 8.48 4.39 0.00 3.52 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 0.00 143 G 8.28 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 0.00 144 K 7.97 3.95 0.00 1.85 1.88 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.60 7.81 145 D 7.81 4.61 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 6.86 3.64 0.00 1.03 1.28 0.39 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.48 3.99 0.00 1.83 1.62 0.94 0.79 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 0.00 148 A 7.87 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.01 4.17 3.63 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 0.57 0.00 0.00 150 H 7.94 4.72 0.00 3.05 3.17 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 9.09 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 0.00 152 N 7.90 4.04 0.00 2.63 2.78 0.00 0.00 6.60 8.47 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 0.00 153 D 7.76 4.83 0.00 2.68 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *154 I 8.18 4.04 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.