NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2594 8.1593 117.3738 63.5677 69.6802 173.6299 2 S 4.4163 8.3682 121.4560 55.8323 65.2759 173.1203 3 K 4.0421 8.7113 120.6486 59.4767 32.5933 179.4960 4 K 3.8909 8.0218 119.4596 59.5101 31.9466 178.3733 5 K 4.0875 7.7454 118.2552 58.4199 32.1853 177.8903 6 R 4.4184 7.4601 116.0450 56.5735 30.5026 177.6620 7 Q 4.1975 7.8087 119.8258 57.1002 28.4652 175.8427 8 R 4.0241 7.5556 118.9064 58.8502 29.9984 175.8965 9 G 4.0919 8.9777 112.0407 45.8627 0.0000 174.5170 10 S 4.1203 7.9453 113.6132 59.0752 63.2948 174.3374 11 R 4.2141 8.0147 124.7824 57.0515 29.2303 176.7225 12 T 4.2278 7.6108 105.3576 61.6919 69.6667 174.2790 13 H 4.3997 8.2902 118.0775 55.8767 26.8346 175.8049 14 G 3.9400 8.5703 105.3130 45.7182 0.0000 174.9860 15 G 3.8434 8.0552 107.5543 45.6178 0.0000 175.5547 16 G 3.9918 7.7747 107.0779 45.1027 0.0000 174.8623 17 S 4.2449 8.5006 118.5527 58.1530 62.7801 174.4127 18 H 4.4550 8.8381 121.0233 57.0871 28.2308 175.8676 19 K 4.1156 7.5253 118.7225 57.0480 31.9150 177.5335 20 N 4.3360 7.6540 117.4946 55.8535 39.2316 177.0381 21 R 4.4520 7.4610 119.7802 56.3655 28.8620 177.4139 22 R 4.6244 7.2591 123.1225 56.2909 30.9393 178.9374 23 G 4.0371 8.4251 120.8139 46.1263 0.0000 173.7809 24 A 4.2622 8.6597 120.9507 54.3149 18.2699 179.8496 25 G 3.5606 8.0446 104.2179 47.7384 0.0000 175.2247 26 H 4.3989 8.0102 119.3463 58.3472 29.9652 176.4726 27 R 4.4275 7.9093 117.2644 55.3855 30.6414 176.6854 28 G 3.7984 7.2590 107.0827 46.4564 0.0000 173.2224 29 G 3.9860 8.0324 105.5019 43.8285 0.0000 174.4502 30 R 4.1741 8.6151 118.4818 56.5538 31.8267 176.4977 31 G 3.9420 8.2305 112.0656 47.4621 0.0000 173.5730 32 D 4.7362 8.7139 124.2266 53.7153 40.6231 175.4182 33 A 4.1084 7.4139 123.5133 53.8222 18.7805 178.7679 34 G 3.8153 8.9993 110.5693 46.0497 0.0000 175.3080 35 R 3.8718 7.6227 115.9841 57.4008 29.2759 177.2384 36 D 5.0065 7.8912 115.5123 52.5081 42.1196 176.1512 37 K 4.1535 8.2807 118.4022 57.4218 31.8788 176.7135 38 H 4.6321 9.4719 123.9927 58.0857 28.5156 176.5383 39 E 4.7550 7.9282 120.8936 55.6017 30.1750 178.1802 40 F 4.9644 8.3652 115.6757 59.2622 38.3543 175.0506 41 H 3.5567 6.2876 117.6409 57.3977 28.7102 174.5289 42 N 4.2230 8.7476 118.9601 54.3629 36.1535 173.5001 43 H 4.8345 7.6088 114.8223 53.9797 30.4960 175.0137 44 E 4.1906 8.5560 122.4979 55.2625 30.0167 175.4437 45 P 4.4589 0.0000 0.0000 62.5842 31.9164 176.1696 46 L 4.0662 8.0703 119.4018 55.3484 42.1429 175.8953 47 G 4.0866 8.1107 106.3925 43.6948 0.0000 173.0109 48 K 4.6027 8.1909 118.7998 54.5821 34.1104 176.5411 49 S 4.3586 8.2091 116.3393 57.7631 65.0544 175.0513 50 G 4.0324 9.1434 118.3279 44.8569 0.0000 171.3592 51 F 5.0489 8.4615 112.4621 55.2318 41.1518 173.4494 52 K 4.2667 8.3107 119.1157 54.4348 35.0422 176.4276 53 R 4.4721 8.0189 121.6359 54.0120 31.5410 174.7390 54 P 4.3168 0.0000 0.0000 62.9777 31.3033 177.2552 55 Q 3.9295 8.9460 121.6702 58.7127 28.7401 178.4761 56 K 4.2697 7.9717 114.0867 57.4090 33.1837 177.1442 57 V 4.2200 7.8861 118.6242 62.7323 31.8494 174.7565 58 Q 4.5511 7.5421 117.0159 54.9430 29.9616 174.7517 59 E 4.5648 8.5948 121.6606 54.5713 31.6733 174.9805 60 E 4.5083 8.5364 123.3660 54.3839 31.8881 174.1557 61 A 4.3338 8.2468 128.9449 50.6474 20.3715 176.0670 62 A 4.3681 8.6183 124.9987 51.2335 19.8614 176.7541 63 T 5.1319 8.1756 112.5189 60.0836 71.6482 174.0380 64 I 4.4487 7.7435 120.9281 60.2789 41.7734 173.5336 65 D 5.1918 8.6688 128.6163 53.4605 42.2171 177.9203 66 V 3.6967 8.2318 115.4016 64.6048 31.4358 179.0512 67 R 3.9277 7.7813 118.7142 59.3727 29.6252 178.2197 68 E 3.9620 7.8867 118.0534 58.9805 29.7611 178.6853 69 I 3.8286 7.5817 119.4970 64.4739 37.1959 177.7222 70 D 4.2554 8.2038 117.7902 57.3054 41.0976 177.7468 71 E 4.2033 8.0803 117.9019 57.8864 29.6319 177.2402 72 N 4.9321 7.5142 115.7847 52.9608 39.2814 177.1614 73 V 3.3006 7.6495 114.6994 64.4347 31.6871 177.9816 74 T 4.0223 7.4909 108.6515 64.2531 68.9232 175.5582 75 L 4.1160 7.7129 120.7709 56.6170 42.8370 177.5284 76 L 4.3474 7.2872 121.3159 53.4213 39.9664 177.1636 77 A 4.2583 7.6203 120.3109 53.5499 19.4838 178.5444 78 A 4.2875 7.9158 117.0463 53.0702 18.9462 176.6300 79 D 5.1622 7.2353 114.2713 51.6346 44.5245 175.7557 80 D 4.3143 8.5814 119.0925 55.3089 41.9631 176.2676 81 V 4.1519 8.5437 122.9595 61.4399 32.2170 174.7015 82 A 4.5584 7.9737 134.1716 50.9992 20.6638 177.2909 83 E 3.9478 8.6086 113.4790 58.4370 29.8482 176.6575 *89 F 4.6261 7.7173 118.3592 57.6138 40.8900 173.6864 90 R 5.2709 8.7790 122.3909 54.5443 32.8189 175.0406 91 V 4.4842 8.7343 125.3277 60.1689 35.2974 173.9601 92 D 4.6239 8.8262 124.8272 53.0421 41.0316 176.7134 93 V 3.6775 8.4822 128.3882 65.8681 31.7099 178.4136 94 R 3.9383 7.9878 117.5441 58.6241 29.9641 176.8291 95 D 4.6737 7.9046 115.6320 54.4222 41.5195 177.0594 96 V 4.0305 7.6790 118.8616 64.2854 32.5504 176.6490 97 V 3.7175 7.4981 118.2176 62.6990 31.9627 175.1374 98 E 4.2707 8.5212 126.0042 56.8118 30.3658 175.6474 99 E 3.6830 8.5410 117.8633 57.8139 26.7661 175.1139 100 A 4.4569 8.0390 118.8994 52.4688 19.7396 178.7773 101 D 4.5166 8.0129 116.6905 57.0036 41.3327 177.3894 102 D 4.5412 7.9846 114.1995 53.5474 39.9079 175.8697 103 A 4.5131 7.4520 122.6107 51.3914 20.4267 177.2805 104 D 4.7473 8.9491 121.1370 57.3837 41.4536 176.3236 105 Y 4.8854 7.4662 114.0105 56.0416 41.9299 173.3362 106 V 4.6759 9.1489 120.3303 61.0436 33.9564 174.2144 107 K 4.8835 8.9115 128.9515 54.5588 35.4258 174.5485 108 V 4.5804 8.1530 127.2826 61.6021 33.1952 174.8718 109 L 4.6242 9.3674 128.4633 52.8474 44.4398 176.5825 110 G 4.2540 7.8835 105.4670 46.1073 0.0000 173.8950 111 A 4.4867 8.1973 123.1511 51.6996 20.4678 178.2207 112 G 3.8756 8.8475 108.7967 44.5178 0.0000 172.2941 113 Q 4.5526 8.1581 116.3331 54.1161 30.8441 175.9808 114 V 4.3438 8.0520 119.8454 61.4708 31.9812 175.4994 115 R 4.2264 9.0232 126.0526 57.0449 30.4777 176.2476 116 H 4.8989 7.9608 114.6720 53.6382 31.6574 173.1988 117 E 4.6757 8.7296 118.8220 55.5054 29.8754 175.3041 118 L 5.0945 8.4863 124.6129 53.2524 45.4892 176.1002 119 T 5.0108 8.6244 118.7856 61.0169 70.6114 172.3524 120 L 5.1697 8.3494 126.4899 53.3633 44.2075 175.6462 121 I 5.3671 8.7578 123.8429 59.0709 39.0217 174.6122 122 A 4.7746 8.5662 127.4215 50.5893 22.4991 176.1385 123 D 4.4818 8.6562 118.3786 57.0723 41.7343 176.7175 124 D 4.8454 7.8542 116.0881 52.9768 45.0908 174.2402 125 F 5.4626 8.6416 121.2122 55.8459 43.4739 174.4431 126 S 4.6333 8.5584 116.5871 57.3268 64.9857 174.7516 127 E 4.0643 9.0508 121.3020 59.6826 29.1610 179.2985 128 G 3.6980 8.1146 104.6329 47.1902 0.0000 175.5177 129 A 4.1428 7.9254 122.8859 54.9432 18.3622 180.0432 130 R 3.7892 7.9208 116.1903 59.5882 30.4412 178.6138 131 E 4.0091 7.9689 117.8404 59.7312 29.2403 179.7696 132 K 4.0859 7.7292 117.0506 58.9261 32.3667 179.2732 133 V 3.8272 7.4898 117.5722 65.8428 31.1384 178.0236 134 E 4.5715 8.1805 120.2401 58.4956 29.1321 178.8927 135 G 3.6279 7.9584 103.4423 45.6580 0.0000 173.2951 136 A 4.6849 7.2095 123.9399 51.8589 19.8215 175.8753 137 G 3.8727 8.4365 103.5815 47.9008 0.0000 172.9894 138 G 4.4379 7.9443 104.7127 44.4468 0.0000 172.0115 139 S 5.0486 8.4973 113.4102 56.2299 66.7727 173.2651 140 V 4.1513 8.1039 119.6839 61.0390 33.9040 174.2139 141 E 4.6688 9.0301 127.8965 54.4526 31.8591 174.9887 142 L 5.0824 8.4509 126.8614 54.0119 43.4484 176.4808 143 T 4.3873 8.4470 122.1266 62.9815 69.8786 175.3329 144 D 4.3695 8.6725 121.8751 57.1543 41.0455 178.3408 145 L 4.2824 7.9330 120.7999 57.3926 42.0775 177.9853 146 G 3.7578 7.5037 103.2349 45.2389 0.0000 173.6042 147 E 4.4154 7.5030 121.7032 56.2531 28.5535 176.5819 148 E 4.5531 7.6245 115.4453 56.3515 32.5113 178.0064 149 R 4.2894 7.7099 119.3730 53.9476 28.5449 176.1779 150 Q 4.1697 7.4956 121.8794 56.6819 28.8650 173.3643 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 T 8.16 4.26 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 1.20 0.00 0.00 2 S 8.37 4.42 0.00 4.05 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 3 K 8.71 4.04 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.49 7.81 4 K 8.02 3.89 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.52 7.81 5 K 7.75 4.09 0.00 1.72 1.97 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.51 7.81 6 R 7.46 4.42 0.00 1.96 1.92 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 7 Q 7.81 4.20 0.00 1.86 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.97 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 8 R 7.56 4.02 0.00 1.79 1.91 0.00 3.36 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 G 8.98 4.09 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 0.00 0.00 0.00 10 S 7.95 4.12 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.01 4.21 0.00 1.98 2.11 0.00 3.21 0.00 0.00 3.27 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 12 T 7.61 4.23 4.33 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 1.30 0.00 0.00 13 H 8.29 4.40 0.00 3.23 3.41 0.00 5.68 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 14 G 8.57 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 15 G 8.06 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.77 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 17 S 8.50 4.24 0.00 3.87 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 18 H 8.84 4.45 0.00 3.31 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.53 4.12 0.00 1.69 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.32 7.81 20 N 7.65 4.34 0.00 2.80 2.58 0.00 0.00 6.96 7.28 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 21 R 7.46 4.45 0.00 1.79 1.91 0.00 3.18 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 22 R 7.26 4.62 0.00 1.74 1.14 0.00 3.23 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 23 G 8.43 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 0.00 0.00 0.00 24 A 8.66 4.26 1.33 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 0.00 0.00 25 G 8.04 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 26 H 8.01 4.40 0.00 3.06 3.44 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.91 4.43 0.00 2.07 1.95 0.00 3.29 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 28 G 7.26 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 29 G 8.03 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 30 R 8.62 4.17 0.00 1.90 1.87 0.00 3.25 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 31 G 8.23 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 32 D 8.71 4.74 0.00 2.73 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 33 A 7.41 4.11 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 34 G 9.00 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 35 R 7.62 3.87 0.00 1.70 2.02 0.00 2.74 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 36 D 7.89 5.01 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 37 K 8.28 4.15 0.00 1.86 1.72 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.38 7.81 38 H 9.47 4.63 0.00 3.33 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.93 4.76 0.00 2.08 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 2.19 2.05 0.00 40 F 8.37 4.96 0.00 3.23 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 41 H 6.29 3.56 0.00 2.97 3.06 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.75 4.22 0.00 2.80 2.85 0.00 0.00 7.01 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.61 4.83 0.00 3.36 3.25 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.56 4.19 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.46 0.00 2.19 2.09 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 46 L 8.07 4.07 0.00 1.66 1.64 0.91 0.94 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 47 G 8.11 4.09 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 0.00 0.00 0.00 48 K 8.19 4.60 0.00 1.75 1.74 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 S 8.21 4.36 0.00 3.78 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.14 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.46 5.05 0.00 3.12 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 52 K 8.31 4.27 0.00 1.67 1.62 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 1.33 7.81 53 R 8.02 4.47 0.00 1.72 1.86 0.00 3.32 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.45 0.00 54 P 0.00 4.32 0.00 2.23 2.21 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 55 Q 8.95 3.93 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 56 K 7.97 4.27 0.00 1.86 1.92 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.42 7.81 57 V 7.89 4.22 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.54 4.55 0.00 2.30 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.39 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 59 E 8.59 4.56 0.00 2.03 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 2.47 2.32 0.00 60 E 8.54 4.51 0.00 1.96 1.74 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 2.16 2.20 0.00 61 A 8.25 4.33 0.39 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 62 A 8.62 4.37 1.20 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 0.00 0.00 63 T 8.18 5.13 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 1.12 0.00 0.00 64 I 7.74 4.45 1.83 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 1.32 1.23 0.92 0.00 0.00 65 D 8.67 5.19 0.00 2.74 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 66 V 8.23 3.70 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 0.99 0.00 0.00 67 R 7.78 3.93 0.00 1.89 2.04 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 68 E 7.89 3.96 0.00 2.03 2.01 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 2.30 2.33 0.00 69 I 7.58 3.83 1.98 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 1.51 1.34 0.89 0.00 0.00 70 D 8.20 4.26 0.00 2.74 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 71 E 8.08 4.20 0.00 2.01 1.97 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 2.33 2.50 0.00 72 N 7.51 4.93 0.00 2.60 2.71 0.00 0.00 6.84 8.64 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 73 V 7.65 3.30 0.71 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 0.40 0.00 0.00 0.34 0.00 0.00 74 T 7.49 4.02 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 1.24 0.00 0.00 75 L 7.71 4.12 0.00 1.74 1.74 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.29 4.35 0.00 1.78 1.57 0.86 1.28 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 77 A 7.62 4.26 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 78 A 7.92 4.29 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 79 D 7.24 5.16 0.00 2.69 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 80 D 8.58 4.31 0.00 2.96 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 V 8.54 4.15 2.05 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 0.54 0.00 0.00 1.03 0.00 0.00 82 A 7.97 4.56 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 83 E 8.61 3.95 0.00 2.05 2.05 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 2.26 2.31 0.00 *89 F 7.72 4.63 0.00 3.13 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 90 R 8.78 5.27 0.00 1.84 1.82 0.00 3.24 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.73 4.48 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 0.64 0.00 0.00 0.98 0.00 0.00 92 D 8.83 4.62 0.00 2.81 2.77 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 93 V 8.48 3.68 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 0.86 0.00 0.00 0.99 0.00 0.00 94 R 7.99 3.94 0.00 1.84 1.98 0.00 3.26 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 95 D 7.90 4.67 0.00 2.82 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 96 V 7.68 4.03 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 0.72 0.00 0.00 0.92 0.00 0.00 97 V 7.50 3.72 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 0.81 0.00 0.00 0.98 0.00 0.00 98 E 8.52 4.27 0.00 1.97 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 2.28 2.30 0.00 99 E 8.54 3.68 0.00 2.08 2.01 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 2.19 2.26 0.00 100 A 8.04 4.46 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 0.00 101 D 8.01 4.52 0.00 2.67 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 0.00 102 D 7.98 4.54 0.00 2.76 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 0.00 103 A 7.45 4.51 1.26 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 0.00 0.00 104 D 8.95 4.75 0.00 2.76 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 0.00 105 Y 7.47 4.89 0.00 2.99 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 0.00 106 V 9.15 4.68 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 0.85 0.00 0.00 0.91 0.00 0.00 107 K 8.91 4.88 0.00 1.88 1.52 0.00 1.95 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.35 7.81 108 V 8.15 4.58 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 1.03 0.00 0.00 0.71 0.00 0.00 109 L 9.37 4.62 0.00 1.77 1.56 0.91 0.86 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 0.00 110 G 7.88 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 0.00 111 A 8.20 4.49 1.39 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 0.00 112 G 8.85 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 0.00 0.00 0.00 113 Q 8.16 4.55 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 114 V 8.05 4.34 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 1.00 0.00 0.00 0.96 0.00 0.00 115 R 9.02 4.23 0.00 1.97 1.91 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 116 H 7.96 4.90 0.00 3.11 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.73 4.68 0.00 2.15 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 0.00 2.27 2.38 0.00 118 L 8.49 5.09 0.00 1.66 1.65 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.62 5.01 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 1.23 0.00 0.00 120 L 8.35 5.17 0.00 1.89 1.84 1.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.76 5.37 2.14 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 1.18 1.99 1.03 0.00 0.00 122 A 8.57 4.77 0.65 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 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.66 4.48 0.00 2.83 2.73 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 0.00 124 D 7.85 4.85 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.64 5.46 0.00 2.91 2.90 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 0.00 126 S 8.56 4.63 0.00 3.90 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.05 4.06 0.00 2.08 2.03 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 2.53 2.41 0.00 128 G 8.11 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.93 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.92 3.79 0.00 2.02 1.94 0.00 3.13 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 131 E 7.97 4.01 0.00 2.19 2.03 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 2.34 2.55 0.00 132 K 7.73 4.09 0.00 1.72 1.88 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.59 7.81 133 V 7.49 3.83 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 1.06 0.00 0.00 1.05 0.00 0.00 134 E 8.18 4.57 0.00 2.16 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 2.29 2.24 0.00 135 G 7.96 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 0.00 0.00 0.00 0.00 136 A 7.21 4.68 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 0.00 137 G 8.44 3.87 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 0.00 138 G 7.94 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.50 5.05 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 0.00 140 V 8.10 4.15 1.71 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 -0.24 0.00 0.00 0.27 0.00 0.00 141 E 9.03 4.67 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 2.22 2.20 0.00 142 L 8.45 5.08 0.00 1.71 1.61 1.28 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.45 4.39 4.33 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 1.23 0.00 0.00 144 D 8.67 4.37 0.00 2.65 2.74 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 0.00 145 L 7.93 4.28 0.00 1.72 1.65 0.94 1.24 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 0.00 146 G 7.50 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 0.00 0.00 0.00 147 E 7.50 4.42 0.00 2.27 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 2.33 2.49 0.00 148 E 7.62 4.55 0.00 1.81 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 2.14 2.37 0.00 149 R 7.71 4.29 0.00 1.80 1.90 0.00 3.28 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 150 Q 7.50 4.17 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.