NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.3403 8.2027 118.9604 56.0816 31.4372 175.1011 0 L 4.1154 7.9048 120.4635 54.0112 42.6674 171.6543 1 V 4.0444 8.5895 125.0904 62.9594 32.4285 175.4415 2 K 4.5634 8.7284 122.4138 55.9155 36.2503 175.5853 3 K 4.9519 8.1262 121.6490 54.5491 34.3841 175.1685 4 V 4.9294 8.6691 127.0877 61.0091 35.0269 173.5939 5 L 5.0695 8.9496 129.7966 53.3849 44.2600 174.4772 6 L 5.1332 9.2066 129.4779 53.9275 43.8290 174.9910 7 I 5.2641 9.1437 127.4268 59.6683 40.5624 174.2664 8 N 5.4172 9.3325 124.3443 51.7416 41.5234 175.5712 9 G 4.2322 8.7068 112.5706 43.9203 0.0000 171.6537 10 P 4.4776 0.0000 0.0000 64.2087 31.8974 176.7475 11 N 4.6816 9.5226 119.2014 53.9656 38.3299 176.6771 12 L 4.1209 7.7314 117.9109 57.5715 41.8031 178.8425 13 N 4.4555 8.0817 114.2214 54.6378 37.4749 175.4293 14 L 4.3858 8.1469 119.3079 54.7363 42.6694 176.3095 15 L 4.3328 7.7258 121.2628 55.1814 41.0444 176.4238 16 G 4.1644 7.9606 109.7753 44.1820 0.0000 172.3127 17 T 4.2408 8.6338 117.0768 61.8707 69.7845 176.5049 18 R 3.6945 7.6260 122.1480 59.4173 30.2848 176.5468 *23 Y 4.4480 7.6158 118.3098 56.7462 40.5496 175.1081 24 G 4.1319 7.8938 107.6244 44.0223 0.0000 174.1977 25 T 4.1587 8.1675 109.1417 61.7308 65.8718 175.5932 26 T 4.5672 7.5984 118.9030 62.7526 70.4902 175.0288 27 S 5.5709 8.3812 123.2646 56.0728 66.3377 174.8869 28 L 3.8929 8.1878 123.1564 58.2854 41.7629 178.7639 29 S 4.0542 8.0140 112.6798 61.2743 62.2073 175.7221 30 D 4.3194 7.8202 121.1310 57.4039 40.6115 178.7094 31 I 3.5875 7.4336 119.6065 64.3757 37.0255 178.2411 32 E 3.8420 8.1201 119.1520 59.5339 29.2706 179.2403 33 Q 3.9533 8.3754 118.0256 59.1202 28.8677 178.8665 34 A 3.9802 8.2661 121.6107 55.2958 18.0121 179.5217 35 A 3.9231 7.9909 118.8119 55.4589 18.5587 179.5370 36 I 3.6777 7.8374 118.4003 64.8895 37.1856 178.3120 37 E 3.9529 8.4937 119.2341 59.4330 29.2287 178.8925 38 Q 3.9613 8.1841 119.3471 59.3904 28.9223 178.7858 39 A 4.0428 7.8952 120.9073 55.6219 18.6916 179.4653 40 K 3.9302 8.0680 116.3334 59.9506 32.0120 178.5631 41 L 4.1746 8.2724 119.9748 56.9950 42.0819 178.8378 42 K 4.1024 8.0289 118.0916 57.8398 33.4895 175.4795 43 N 4.1929 8.0324 117.5133 53.5009 36.7494 172.0961 44 N 4.9619 8.0028 113.8033 52.8024 43.1745 173.4448 45 D 4.0901 7.6318 117.9942 54.0365 40.6030 175.6659 46 S 5.4687 7.3535 115.3182 56.9991 65.9773 175.1544 47 E 4.6182 8.3892 121.1811 55.1995 33.1265 173.7148 48 V 4.6743 8.3839 127.0847 61.2684 32.7564 175.2273 49 L 4.4688 8.7646 128.6951 54.7554 42.9813 176.6680 50 V 5.1001 8.1262 113.1371 60.1194 35.5758 174.7584 51 F 4.9904 8.9448 123.3653 57.5717 43.1778 172.6668 52 Q 5.3477 7.3140 123.9226 54.8930 31.9451 173.3067 53 S 4.6145 8.2487 118.2562 57.4710 65.3154 173.4341 54 N 4.6187 8.9232 120.1784 54.0964 39.5433 175.8340 55 T 4.3490 7.6977 116.5101 61.7204 69.5674 174.4193 56 E 3.6891 8.7627 127.3017 59.4036 29.4993 178.7606 57 G 3.8197 7.9132 104.7955 48.2909 0.0000 175.3611 58 F 4.7837 8.1072 119.8254 60.2858 39.0673 177.7696 59 I 4.0697 7.9922 119.3300 64.4025 36.9262 178.4816 60 I 3.6904 7.8210 120.7903 64.4370 36.8947 178.2003 61 D 4.2305 8.0907 119.7883 57.2956 40.6208 178.8102 62 R 3.6840 7.8114 119.2081 58.9378 29.8472 178.6918 63 I 3.6853 7.4733 119.6804 64.5197 37.0406 177.8405 64 H 4.1282 8.2176 117.0936 59.1332 28.4763 177.4965 65 E 4.0425 8.1737 120.4569 58.8388 29.3552 178.6653 66 A 4.2190 7.8722 122.6388 54.1206 18.3835 179.2328 67 K 3.7939 7.8369 118.0228 59.9784 32.0286 179.2876 68 R 3.9690 7.4178 115.0483 59.1471 30.2905 177.6155 69 Q 4.1921 8.0397 115.1672 55.4619 28.8337 176.2993 70 G 3.8096 7.8899 106.0560 46.1956 0.0000 174.3253 71 V 3.7155 7.9350 120.1050 62.5845 31.6998 176.0829 72 G 4.0073 8.5306 114.7770 48.4009 0.0000 173.2283 73 F 5.1496 8.0930 121.3219 56.8993 43.2205 172.9972 74 V 4.9774 8.2704 123.6484 61.0642 35.1246 174.2867 75 V 4.8880 9.0934 127.0700 61.2157 34.1915 173.9824 76 I 5.1522 8.9716 128.0649 59.3778 41.6186 173.4241 77 N 5.3267 9.4893 128.2172 51.1284 39.8909 174.4818 78 A 4.3368 8.7325 127.6806 51.5657 20.2016 178.4511 79 G 3.7114 8.1800 106.4430 46.1578 0.0000 176.5533 80 A 4.1250 8.5362 122.3838 55.3756 18.0956 178.7617 81 Y 4.6698 7.4172 115.5849 60.3125 37.8395 179.0386 82 T 3.9867 8.1358 117.4111 66.4440 68.3544 175.3446 83 H 4.9751 8.4448 115.8349 56.4541 29.5807 175.8370 84 T 4.7312 7.9077 109.1004 61.2524 70.2099 173.0979 85 S 4.8289 8.3622 117.6200 55.7606 61.1320 174.2078 86 V 3.4485 7.5249 126.5345 65.0393 31.3377 177.4398 87 G 3.4896 7.8168 105.3331 47.5330 0.0000 175.7488 88 I 3.6813 7.7389 122.1372 63.9950 37.0695 178.0744 89 R 3.7962 7.4997 118.5763 59.9489 29.7931 178.3423 90 D 4.3180 8.3071 118.0140 57.0259 40.8040 178.6325 91 A 4.0268 8.0740 121.6843 54.6119 18.2950 179.6251 92 L 3.8927 7.6201 117.4031 57.6282 41.7917 179.0594 93 L 4.1151 7.9745 117.9325 58.0143 41.6655 179.7280 94 G 3.7319 8.0824 104.7224 47.9362 0.0000 175.3968 95 T 4.0601 7.7808 109.4550 61.0736 69.9136 174.0819 96 A 3.7290 7.5510 124.0781 53.2375 16.6207 177.3596 97 I 4.3427 7.5120 120.8837 59.3154 38.8784 174.8635 98 P 4.4508 0.0000 0.0000 63.4857 32.3043 174.9720 99 F 5.3518 7.2983 113.5794 56.4829 41.4435 172.5462 100 I 4.8168 8.3258 119.9423 59.4892 40.5599 174.0890 101 E 4.8210 8.7751 127.9693 55.3458 30.8444 174.9711 102 V 4.7687 8.7955 127.0814 61.3485 34.8156 173.8549 103 H 4.9067 8.4822 122.9865 53.9808 31.4298 174.3701 104 I 3.9963 8.8052 124.4950 63.9693 37.9743 176.2581 105 T 4.4098 7.6827 109.2432 59.3089 71.2731 173.7300 106 N 4.5094 8.3593 120.9288 52.6233 38.1577 175.8231 107 V 3.5131 8.0950 126.7759 64.6046 31.6070 177.9304 108 H 4.0789 7.7686 115.7597 57.3931 28.6836 175.7581 109 Q 4.2966 7.8844 117.5791 56.4501 29.4779 176.3655 110 R 4.6460 7.1842 118.7657 55.0624 31.8279 175.5314 111 E 4.0613 8.2146 119.3788 56.3517 30.5979 175.7285 112 P 3.6947 0.0000 0.0000 65.6436 31.7375 178.4466 113 F 4.2684 8.2871 112.1829 59.3350 37.5045 176.4473 114 R 3.9622 7.5031 118.7311 56.5543 30.2619 177.1259 115 H 4.3174 8.2210 115.5474 57.8071 28.9316 175.4489 116 Q 4.5110 7.4404 118.0954 54.2333 29.8324 174.9606 117 S 4.8409 8.2508 116.1142 56.8813 65.4444 172.8979 118 Y 4.6078 9.1380 122.6289 58.1958 38.2623 176.2339 119 L 4.7000 8.5092 121.5191 57.2269 43.2458 179.2939 120 S 4.1023 7.7839 114.0813 61.7262 62.7678 176.1824 121 D 4.7107 8.0516 116.5647 54.1701 39.6847 176.5487 122 K 4.4414 8.2739 117.8766 55.9909 34.0272 176.4565 123 A 2.7471 7.0673 120.5865 51.5552 18.9034 177.8314 124 V 3.7415 8.3649 122.0712 65.5361 32.1543 176.0067 125 A 4.6513 7.5054 119.6088 50.2329 23.2763 174.9424 126 V 4.5268 8.1489 117.9933 61.3313 34.1175 174.6231 127 I 4.6136 8.2388 129.2790 59.6876 39.7981 174.8808 128 C 4.8360 8.6965 118.8591 58.9818 31.8128 174.1699 129 G 3.9251 9.3902 112.7347 45.1922 0.0000 173.5181 130 L 4.5568 7.7885 120.1111 54.0614 42.8043 178.3879 131 G 3.7884 7.7510 106.1385 45.3083 0.0000 176.4178 132 V 3.8569 8.4036 117.7904 65.8316 32.2410 178.1015 133 Y 4.4925 8.4693 120.3552 60.2535 38.4834 178.0860 134 G 3.8431 7.8638 107.4458 48.1740 0.0000 175.3508 135 Y 4.1479 8.1264 119.5782 60.7269 37.8952 178.4260 136 T 4.1543 8.2902 117.3628 66.0694 68.6587 176.2881 137 A 3.7972 7.5286 122.1641 54.9548 18.2783 179.2014 138 A 3.9382 7.8642 119.3185 55.7194 18.4035 180.0572 139 I 3.7023 8.1155 118.3275 64.4589 36.9838 178.2037 140 E 3.9545 8.4501 118.8262 59.8378 29.6037 178.7496 141 Y 3.9755 8.0828 118.9161 60.4055 38.6663 177.2835 142 A 2.7160 7.7586 120.8326 55.1258 18.5388 179.1896 143 L 4.2131 7.5828 113.2935 55.4960 42.1064 177.0936 144 N 4.9803 7.6530 117.0449 52.9540 39.8263 173.5607 145 Y 4.4797 7.5756 117.9553 55.3270 42.5334 173.5949 146 Q 3.9568 8.1663 124.9069 56.3975 29.1929 176.3272 147 L 4.2992 8.6446 126.0946 55.1026 41.7784 176.3554 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 Q 8.20 4.34 0.00 2.06 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 0 L 7.90 4.12 0.00 1.73 1.59 0.96 0.56 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 1 V 8.59 4.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.16 0.00 0.00 2 K 8.73 4.56 0.00 1.67 1.91 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.36 7.81 3 K 8.13 4.95 0.00 1.89 1.70 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.50 7.81 4 V 8.67 4.93 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 1.01 0.00 0.00 0.98 0.00 0.00 5 L 8.95 5.07 0.00 1.83 1.55 1.02 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.21 5.13 0.00 1.85 1.69 1.22 0.77 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 7 I 9.14 5.26 1.97 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 1.42 0.69 1.08 0.00 0.00 8 N 9.33 5.42 0.00 2.67 2.72 0.00 0.00 6.52 7.36 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 9 G 8.71 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.48 0.00 1.93 1.86 0.00 3.71 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 1.40 0.44 0.00 11 N 9.52 4.68 0.00 2.89 3.03 0.00 0.00 7.00 6.45 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 12 L 7.73 4.12 0.00 1.94 1.76 1.04 0.40 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 13 N 8.08 4.46 0.00 2.79 3.13 0.00 0.00 6.00 7.79 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 14 L 8.15 4.39 0.00 1.85 1.71 0.92 0.35 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 15 L 7.73 4.33 0.00 1.79 1.81 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.96 4.16 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 0.00 17 T 8.63 4.24 4.21 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 1.18 0.00 0.00 18 R 7.63 3.69 0.00 1.75 1.88 0.00 3.25 0.00 0.00 3.14 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 *23 Y 7.62 4.45 0.00 3.02 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 24 G 7.89 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.17 4.16 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 26 T 7.60 4.57 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 1.24 0.00 0.00 27 S 8.38 5.57 0.00 4.06 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 28 L 8.19 3.89 0.00 1.91 1.66 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.01 4.05 0.00 3.90 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 30 D 7.82 4.32 0.00 2.96 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 31 I 7.43 3.59 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 0.05 0.00 0.00 32 E 8.12 3.84 0.00 2.21 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 2.29 2.26 0.00 33 Q 8.38 3.95 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 34 A 8.27 3.98 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 35 A 7.99 3.92 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 36 I 7.84 3.68 2.01 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 1.53 0.88 0.92 0.00 0.00 37 E 8.49 3.95 0.00 2.27 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 2.34 2.47 0.00 38 Q 8.18 3.96 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 39 A 7.90 4.04 1.34 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 40 K 8.07 3.93 0.00 2.04 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.61 7.81 41 L 8.27 4.17 0.00 1.72 1.79 0.93 0.60 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 42 K 8.03 4.10 0.00 1.91 1.85 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.59 7.81 43 N 8.03 4.19 0.00 2.87 2.84 0.00 0.00 7.05 7.13 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 44 N 8.00 4.96 0.00 2.81 2.84 0.00 0.00 6.46 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.63 4.09 0.00 2.78 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 46 S 7.35 5.47 0.00 3.75 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.39 4.62 0.00 2.02 1.75 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 2.30 2.32 0.00 48 V 8.38 4.67 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 0.91 0.00 0.00 0.97 0.00 0.00 49 L 8.76 4.47 0.00 1.69 1.60 0.93 0.64 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 50 V 8.13 5.10 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 0.70 0.00 0.00 0.96 0.00 0.00 51 F 8.94 4.99 0.00 3.09 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 52 Q 7.31 5.35 0.00 1.93 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 53 S 8.25 4.61 0.00 3.74 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 54 N 8.92 4.62 0.00 2.75 2.84 0.00 0.00 6.91 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 55 T 7.70 4.35 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 0.45 0.00 0.00 56 E 8.76 3.69 0.00 1.16 1.55 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 2.10 1.90 0.00 57 G 7.91 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 58 F 8.11 4.78 0.00 3.35 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 59 I 7.99 4.07 2.14 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.42 1.02 0.00 0.00 60 I 7.82 3.69 2.03 0.00 0.00 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 1.60 0.96 0.78 0.00 0.00 61 D 8.09 4.23 0.00 2.89 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 62 R 7.81 3.68 0.00 1.11 1.70 0.00 2.62 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.34 0.00 63 I 7.47 3.69 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.23 0.89 0.00 0.00 64 H 8.22 4.13 0.00 3.30 3.32 0.00 5.63 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 65 E 8.17 4.04 0.00 2.03 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 2.21 2.30 0.00 66 A 7.87 4.22 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 67 K 7.84 3.79 0.00 1.84 2.01 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.53 7.81 68 R 7.42 3.97 0.00 2.03 1.97 0.00 3.20 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 69 Q 8.04 4.19 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.31 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 70 G 7.89 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 71 V 7.94 3.72 2.25 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 0.87 0.00 0.00 0.95 0.00 0.00 72 G 8.53 4.01 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 0.00 0.00 0.00 73 F 8.09 5.15 0.00 3.01 2.81 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 74 V 8.27 4.98 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 0.99 0.00 0.00 0.93 0.00 0.00 75 V 9.09 4.89 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 1.05 0.00 0.00 1.17 0.00 0.00 76 I 8.97 5.15 1.90 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 1.51 1.03 0.00 0.00 77 N 9.49 5.33 0.00 2.85 2.87 0.00 0.00 6.98 7.92 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 78 A 8.73 4.34 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 79 G 8.18 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 80 A 8.54 4.12 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 81 Y 7.42 4.67 0.00 3.18 2.98 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 82 T 8.14 3.99 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 1.27 0.00 0.00 83 H 8.44 4.98 0.00 3.36 3.49 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.91 4.73 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 1.36 0.00 0.00 85 S 8.36 4.83 0.00 3.76 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.52 3.45 1.76 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 0.93 0.00 0.00 -0.05 0.00 0.00 87 G 7.82 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.74 3.68 1.84 0.00 0.00 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 1.37 0.69 0.84 0.00 0.00 89 R 7.50 3.80 0.00 2.11 2.13 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 90 D 8.31 4.32 0.00 2.76 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 91 A 8.07 4.03 1.40 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 0.00 0.00 92 L 7.62 3.89 0.00 1.62 1.49 -0.48 0.34 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 93 L 7.97 4.12 0.00 1.66 1.78 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.08 3.73 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 95 T 7.78 4.06 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 96 A 7.55 3.73 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.51 4.34 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 1.64 0.66 0.89 0.00 0.00 98 P 0.00 4.45 0.00 1.43 2.09 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 99 F 7.30 5.35 0.00 3.06 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 0.00 100 I 8.33 4.82 2.01 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 1.23 0.80 0.88 0.00 0.00 101 E 8.78 4.82 0.00 2.17 1.79 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 2.06 2.24 0.00 102 V 8.80 4.77 1.66 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 0.19 0.00 0.00 0.73 0.00 0.00 103 H 8.48 4.91 0.00 3.03 3.06 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.81 4.00 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.23 0.99 0.00 0.00 105 T 7.68 4.41 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 1.24 0.00 0.00 106 N 8.36 4.51 0.00 2.77 2.75 0.00 0.00 6.63 7.71 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 0.00 107 V 8.09 3.51 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 0.41 0.00 0.00 0.80 0.00 0.00 108 H 7.77 4.08 0.00 3.10 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.88 4.30 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 110 R 7.18 4.65 0.00 1.81 1.68 0.00 3.11 0.00 0.00 3.13 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 111 E 8.21 4.06 0.00 1.22 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 2.46 2.33 0.00 112 P 0.00 3.69 0.00 2.13 2.02 0.00 3.56 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 113 F 8.29 4.27 0.00 3.23 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.50 3.96 0.00 1.49 1.77 0.00 2.89 0.00 0.00 3.01 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 115 H 8.22 4.32 0.00 3.20 3.39 0.00 5.66 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 0.00 116 Q 7.44 4.51 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 117 S 8.25 4.84 0.00 3.83 3.69 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 0.00 118 Y 9.14 4.61 0.00 3.07 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 0.00 119 L 8.51 4.70 0.00 1.81 2.04 0.95 0.70 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 0.00 120 S 7.78 4.10 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.05 4.71 0.00 2.80 2.80 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 0.00 122 K 8.27 4.44 0.00 1.94 2.00 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.60 7.81 123 A 7.07 2.75 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 0.00 124 V 8.36 3.74 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 0.86 0.00 0.00 0.83 0.00 0.00 125 A 7.51 4.65 0.94 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 0.00 126 V 8.15 4.53 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 0.87 0.00 0.00 0.89 0.00 0.00 127 I 8.24 4.61 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.38 0.80 0.00 0.00 128 C 8.70 4.84 0.00 2.96 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 0.00 129 G 9.39 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.79 4.56 0.00 1.58 1.76 0.99 0.96 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 0.00 131 G 7.75 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 0.00 0.00 0.00 132 V 8.40 3.86 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.06 0.00 0.00 133 Y 8.47 4.49 0.00 3.06 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.86 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 0.00 135 Y 8.13 4.15 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 4.15 4.40 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 1.35 0.00 0.00 137 A 7.53 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.86 3.94 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 0.00 139 I 8.12 3.70 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.06 0.98 0.00 0.00 140 E 8.45 3.95 0.00 1.90 2.06 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 2.39 2.53 0.00 141 Y 8.08 3.98 0.00 2.98 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 0.00 142 A 7.76 2.72 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 0.00 143 L 7.58 4.21 0.00 1.60 1.68 0.92 0.76 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 0.00 144 N 7.65 4.98 0.00 2.76 2.55 0.00 0.00 6.62 7.56 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 0.00 145 Y 7.58 4.48 0.00 2.69 2.56 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 0.00 146 Q 8.17 3.96 0.00 1.56 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.81 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 147 L 8.64 4.30 0.00 1.75 1.71 0.96 0.88 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 * Residues marked with a * may have inaccurate shift predictions.