NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 G 3.9677 8.3431 109.7396 45.4487 0.0000 173.3560 22 G 3.9518 8.4378 112.7906 44.3261 0.0000 169.6560 23 G 4.0556 8.9504 112.0616 46.8072 0.0000 172.1152 24 T 4.8134 7.4989 110.6278 59.1159 72.6917 175.1483 25 I 3.7274 8.2784 122.2632 64.5047 37.0984 178.4911 26 A 4.0270 8.4036 121.8843 55.4690 18.2393 179.5597 27 M 4.0313 8.1672 117.0676 58.6635 31.8618 178.8793 28 L 4.0619 7.7977 117.6563 57.6301 41.8571 178.4552 29 N 4.7377 7.8409 113.2761 52.0288 38.8906 174.7289 30 E 3.7755 7.8715 118.5856 57.3922 27.6363 174.6389 31 I 4.2366 7.9311 120.0923 59.9876 38.3155 176.6076 32 S 4.5152 8.4113 120.1625 57.7022 64.2010 175.4883 33 S 4.3114 8.5829 117.5267 61.5358 62.3478 176.6853 34 D 4.4386 8.1201 121.7331 57.5183 40.5760 178.5998 35 T 3.9160 7.8742 115.9001 66.6211 68.4108 176.7766 36 L 4.0434 7.9434 120.4809 57.7913 41.7153 179.0565 37 E 4.2044 8.4872 119.3650 59.3384 29.6682 178.9073 38 Q 4.0509 8.0176 118.2822 58.8826 28.7571 178.6538 39 L 3.9630 8.0202 120.1812 57.8042 41.5287 178.8736 40 Y 4.0745 8.4705 120.0331 60.7234 38.6980 178.2668 41 S 3.9338 8.2977 116.2010 61.2493 62.9382 176.3140 42 L 3.8533 7.7714 122.5066 58.1397 41.7924 178.8379 43 A 3.8203 7.7308 120.5462 54.9979 18.0798 179.2403 44 F 3.9768 8.0667 119.2832 61.6700 39.4110 177.1709 45 N 4.4598 8.5100 116.1017 56.2836 38.0837 177.4635 46 Q 3.9029 7.9148 118.6669 58.9952 29.1410 177.8183 47 Y 4.2015 8.2750 120.7582 61.0887 38.6626 178.4513 48 Q 3.9523 8.0687 117.1320 58.5810 28.8498 178.1931 49 S 4.5401 7.7624 114.0637 57.7250 63.6786 172.4339 50 G 2.7064 7.0949 112.9082 45.5213 0.0000 172.5069 *52 Y 4.9748 8.0123 123.4351 57.9362 40.2251 178.0526 53 E 4.0450 8.3839 117.9509 59.6254 29.9125 177.9719 54 D 4.4451 8.2017 116.6961 57.3200 41.3016 177.6240 55 A 4.1800 8.1586 121.6389 55.5799 18.6545 179.8699 56 H 4.5815 8.4863 114.4210 56.5842 29.4110 177.2148 *58 V 3.8992 7.9480 119.1618 62.3751 33.1424 177.3543 59 F 4.2500 8.2278 118.6957 60.4509 38.4693 177.4158 60 Q 3.9011 8.4617 117.9741 59.0597 28.6156 179.1326 61 A 3.9594 7.8439 120.8764 55.1822 18.4707 179.4945 62 L 3.7282 8.0425 117.8223 58.0919 41.3384 179.5054 63 C 3.9115 8.0046 115.9484 62.7273 27.9721 176.1321 64 V 3.7715 7.3466 119.3126 65.8880 31.3478 177.8658 65 L 4.4925 7.9649 118.7917 56.5211 41.2623 176.0104 66 D 4.8350 8.6218 119.6847 53.4578 42.1045 174.2906 67 H 5.3265 8.8750 120.1789 56.0421 28.9349 175.6195 68 Y 4.5815 7.9784 116.1339 58.0664 38.5330 175.0328 69 D 4.6042 7.9123 120.6271 52.6503 41.0831 176.5869 70 S 4.6285 8.9127 124.4913 62.3566 62.7502 177.0208 71 R 3.9808 8.0414 120.0682 59.2135 29.6343 179.0559 72 F 4.7833 8.1991 117.7702 60.4493 38.9675 177.8320 73 F 4.2596 8.4684 117.0825 60.1645 38.9166 177.6473 74 L 4.4514 8.7905 119.2685 57.8869 41.3868 179.9081 75 G 2.3771 8.1185 105.6179 47.1453 0.0000 175.3630 76 L 3.8712 7.4365 123.3461 57.8198 41.9725 179.4334 77 G 3.1357 8.0717 105.2034 47.5492 0.0000 175.5022 78 A 4.0683 8.3553 123.7966 55.0753 18.4052 179.4921 79 C 4.3352 8.2738 115.3017 63.1611 28.1939 176.5838 80 R 3.8851 7.9737 119.5816 59.2345 29.6262 178.9353 81 Q 3.8652 8.3191 119.2115 59.1989 28.9069 178.1071 82 A 3.7567 8.0117 120.7510 54.7290 18.2423 178.4625 83 M 4.2676 7.3227 114.2680 54.6373 32.2583 176.8694 84 G 3.1649 7.4285 106.9652 46.6084 0.0000 176.0351 85 Q 4.1794 7.8932 121.5333 54.2703 25.7224 175.6594 86 Y 4.3107 7.1527 121.6477 61.0723 38.5360 177.7764 87 D 4.3236 8.0461 119.2700 57.4272 40.9449 178.5375 88 L 3.7835 7.8529 118.7183 57.6435 41.4783 179.4009 89 A 3.6868 7.9583 120.6399 55.1645 18.3342 179.7073 90 I 3.8271 7.7858 118.3045 64.8777 37.1831 178.2960 91 H 4.2899 8.1732 117.1255 59.0106 28.5270 177.8059 92 S 4.2096 7.6973 114.9004 61.7016 62.2910 175.8672 93 Y 4.5530 8.0541 119.7042 61.0786 37.0132 178.6522 94 S 4.1564 8.6025 116.9719 61.5134 62.8723 175.9967 95 Y 3.9423 8.0003 122.2771 60.5959 38.4909 178.1386 96 G 2.2310 7.7669 106.3695 47.3550 0.0000 175.4645 97 A 3.9061 7.4705 122.8032 54.4840 18.0772 179.7740 98 V 3.5130 6.8297 115.2193 65.8889 31.7751 177.6737 99 M 4.1271 7.3707 117.2419 57.0971 33.0075 175.7062 100 D 4.7020 7.8775 118.0531 52.1779 41.7226 175.9885 101 I 4.2878 7.6228 123.2333 59.3371 36.9822 177.3793 *103 E 4.0214 8.1314 122.0292 56.3729 29.9282 173.9425 104 P 4.2627 0.0000 0.0000 65.3304 31.3027 178.4081 105 R 3.9066 7.9852 118.3599 58.7586 29.8460 178.7592 106 F 4.2328 7.5078 117.6386 60.0893 39.0335 175.8661 107 P 4.3143 0.0000 0.0000 65.6787 31.0529 178.0975 108 F 4.0268 8.1283 120.4199 61.6862 39.4011 176.9875 109 H 3.8111 8.1776 115.7274 58.2447 28.2515 177.6105 110 A 4.1718 7.7059 122.6370 55.2658 18.2181 179.5353 111 A 3.8237 7.8685 119.1217 55.1680 18.3786 179.5773 112 E 3.6951 7.6380 116.9662 59.8137 29.2887 179.4768 113 C 3.9901 7.8498 115.3669 62.8014 28.4839 175.9485 114 L 4.0679 8.1063 120.6094 57.5095 40.8678 179.6476 115 L 3.9654 7.6505 118.5309 57.4689 41.7238 180.8399 116 Q 4.0822 7.2953 117.5266 55.2657 28.4958 177.3892 *118 G 3.8118 7.8808 105.8956 45.3494 0.0000 174.5698 119 E 4.4370 8.1702 122.8153 54.6147 28.3911 176.7068 120 L 3.9527 7.9729 123.1993 57.2374 42.0755 178.5304 121 A 3.9434 7.8425 120.3445 55.1459 18.5693 179.3080 122 E 3.8809 8.1279 116.4004 59.5407 29.6439 179.1377 123 A 3.9053 8.0109 120.7323 55.2243 18.3088 179.2988 124 E 3.5414 8.0506 117.5961 59.3133 29.6873 179.0847 125 S 4.3649 8.1378 115.3033 61.8096 62.9530 177.0795 126 G 3.6336 7.9798 108.0497 47.7477 0.0000 175.7772 127 L 4.0905 7.9106 121.2902 57.5988 41.5809 179.5614 128 F 4.5458 8.1388 118.0077 60.3375 38.7766 177.5432 129 L 3.9235 8.0999 119.8261 58.1536 42.0329 178.5516 130 A 3.9258 8.3721 121.2016 55.3691 17.8810 179.2226 131 Q 3.8856 8.2081 117.9388 59.4640 28.9338 178.5897 132 E 3.9870 7.9909 117.0756 59.4553 29.6249 178.7397 133 L 4.1323 7.7859 118.9514 56.4462 41.8211 178.3309 134 I 4.0471 7.3620 111.0395 60.0968 38.3793 175.9398 135 A 3.8254 6.9651 123.4695 54.0992 18.5157 175.6185 136 N 4.0520 8.5483 122.1211 53.0108 34.6608 171.8357 *138 P 4.4470 0.0000 0.0000 62.2280 33.7333 178.9159 139 E 3.4154 8.0295 116.0963 58.0143 29.5188 176.6548 140 F 4.6468 7.3027 118.0107 55.7447 39.1010 175.5511 *142 E 4.1906 8.5119 126.5322 55.9150 31.3527 177.7947 143 L 3.7452 7.8190 119.4352 57.9721 42.0904 178.6428 144 S 4.0810 8.3565 115.5668 62.0485 62.8088 176.9647 145 T 3.8286 7.8005 117.4527 66.7192 68.4417 176.5439 146 R 3.9290 7.7806 119.8716 59.4796 30.1903 179.2808 147 V 3.6897 7.9368 117.8567 66.0260 31.5365 177.9566 148 S 4.0928 7.9681 114.8380 61.7965 62.7127 176.3115 149 S 4.0586 7.9941 115.4064 62.0303 62.1914 176.1220 150 M 4.0218 7.9150 120.4303 58.6230 31.5439 178.8510 151 L 3.9035 7.5811 117.3963 57.6519 41.7924 179.2605 152 E 4.0734 7.9696 117.3707 59.3563 29.5502 178.5359 153 A 4.1439 7.7901 119.4392 55.5668 18.4679 177.9978 154 I 3.9749 7.4309 120.5149 61.6986 37.3550 175.9684 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 21 G 8.34 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 0.00 0.00 0.00 22 G 8.44 3.95 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 0.00 0.00 0.00 23 G 8.95 4.06 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 0.00 0.00 0.00 24 T 7.50 4.81 4.57 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 1.48 0.00 0.00 25 I 8.28 3.73 2.04 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 1.66 0.80 0.94 0.00 0.00 26 A 8.40 4.03 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 27 M 8.17 4.03 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 28 L 7.80 4.06 0.00 1.84 1.77 0.96 0.90 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 N 7.84 4.74 0.00 2.84 2.85 0.00 0.00 7.09 7.81 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 30 E 7.87 3.78 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 31 I 7.93 4.24 2.02 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 1.37 0.53 0.94 0.00 0.00 32 S 8.41 4.52 0.00 4.03 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 33 S 8.58 4.31 0.00 3.93 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 34 D 8.12 4.44 0.00 2.71 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 35 T 7.87 3.92 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 36 L 7.94 4.04 0.00 2.02 1.93 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.49 4.20 0.00 2.32 2.02 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 2.38 2.51 0.00 38 Q 8.02 4.05 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 39 L 8.02 3.96 0.00 1.80 1.58 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.47 4.07 0.00 3.15 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 41 S 8.30 3.93 0.00 4.05 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 42 L 7.77 3.85 0.00 1.73 1.78 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.73 3.82 0.26 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 44 F 8.07 3.98 0.00 2.71 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 45 N 8.51 4.46 0.00 2.99 2.87 0.00 0.00 7.08 7.01 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 46 Q 7.91 3.90 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 47 Y 8.27 4.20 0.00 3.24 3.08 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 48 Q 8.07 3.95 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.60 0.00 49 S 7.76 4.54 0.00 3.86 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 50 G 7.09 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 0.00 0.00 0.00 *52 Y 8.01 4.97 0.00 3.12 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 53 E 8.38 4.04 0.00 1.95 2.02 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 2.33 2.42 0.00 54 D 8.20 4.45 0.00 2.63 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 55 A 8.16 4.18 1.57 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 0.00 0.00 0.00 56 H 8.49 4.58 0.00 3.44 3.52 0.00 5.62 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 V 7.95 3.90 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.89 0.00 0.00 59 F 8.23 4.25 0.00 3.18 2.88 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 60 Q 8.46 3.90 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 61 A 7.84 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.04 3.73 0.00 1.46 0.37 0.48 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.00 3.91 0.00 2.83 2.57 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 0.00 64 V 7.35 3.77 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 0.83 0.00 0.00 0.96 0.00 0.00 65 L 7.96 4.49 0.00 1.92 1.76 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.62 4.83 0.00 2.85 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 67 H 8.87 5.33 0.00 3.41 3.61 0.00 5.55 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 68 Y 7.98 4.58 0.00 3.19 2.92 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 69 D 7.91 4.60 0.00 2.34 1.54 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 0.00 70 S 8.91 4.63 0.00 4.00 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 71 R 8.04 3.98 0.00 1.56 1.83 0.00 2.88 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 72 F 8.20 4.78 0.00 2.95 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 73 F 8.47 4.26 0.00 3.44 3.35 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 74 L 8.79 4.45 0.00 1.89 1.74 0.73 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.12 2.38 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 0.00 76 L 7.44 3.87 0.00 1.72 1.57 0.67 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.36 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 8.27 4.34 0.00 3.29 3.35 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 80 R 7.97 3.89 0.00 1.95 2.07 0.00 3.15 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 81 Q 8.32 3.87 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 82 A 8.01 3.76 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 83 M 7.32 4.27 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.57 0.00 84 G 7.43 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.89 4.18 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.03 6.75 0.00 0.00 0.00 0.00 0.00 2.16 2.42 0.00 86 Y 7.15 4.31 0.00 3.02 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 87 D 8.05 4.32 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.85 3.78 0.00 1.75 1.68 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.96 3.69 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 90 I 7.79 3.83 2.04 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 1.68 0.79 1.00 0.00 0.00 91 H 8.17 4.29 0.00 3.35 3.34 0.00 5.64 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 92 S 7.70 4.21 0.00 3.79 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 93 Y 8.05 4.55 0.00 3.14 3.10 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 0.00 0.00 0.00 0.00 94 S 8.60 4.16 0.00 4.01 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 95 Y 8.00 3.94 0.00 3.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.47 3.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 6.83 3.51 1.80 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 0.70 0.00 0.00 0.87 0.00 0.00 99 M 7.37 4.13 0.00 1.41 0.94 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 100 D 7.88 4.70 0.00 2.68 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.62 4.29 1.86 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 1.26 1.51 0.95 0.00 0.00 *103 E 8.13 4.02 0.00 2.34 2.33 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 2.09 2.07 0.00 104 P 0.00 4.26 0.00 1.88 1.90 0.00 3.53 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.55 0.00 105 R 7.99 3.91 0.00 1.65 1.86 0.00 3.07 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 106 F 7.51 4.23 0.00 3.13 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.31 0.00 2.46 2.34 0.00 3.92 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 2.22 2.05 0.00 108 F 8.13 4.03 0.00 3.04 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 0.00 109 H 8.18 3.81 0.00 2.01 2.81 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.71 4.17 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 0.00 111 A 7.87 3.82 1.32 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 0.00 0.00 112 E 7.64 3.70 0.00 2.05 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 1.88 1.61 0.00 113 C 7.85 3.99 0.00 3.23 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 0.00 114 L 8.11 4.07 0.00 1.76 1.81 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.65 3.97 0.00 1.66 1.61 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.30 4.08 0.00 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.07 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 *118 G 7.88 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 0.00 119 E 8.17 4.44 0.00 2.08 1.99 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 2.23 2.23 0.00 120 L 7.97 3.95 0.00 1.65 1.67 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.84 3.94 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 0.00 122 E 8.13 3.88 0.00 2.00 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 0.00 2.40 2.38 0.00 123 A 8.01 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 0.00 124 E 8.05 3.54 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 125 S 8.14 4.36 0.00 4.07 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 0.00 126 G 7.98 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 0.00 127 L 7.91 4.09 0.00 1.59 1.60 0.79 0.93 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 0.00 128 F 8.14 4.55 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 0.00 129 L 8.10 3.92 0.00 1.83 1.87 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.37 3.93 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 0.00 131 Q 8.21 3.89 0.00 2.40 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 132 E 7.99 3.99 0.00 2.18 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 0.00 2.57 2.35 0.00 133 L 7.79 4.13 0.00 1.67 1.67 0.95 0.90 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 0.00 134 I 7.36 4.05 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.54 0.28 0.00 0.00 135 A 6.97 3.83 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 0.00 136 N 8.55 4.05 0.00 2.92 2.92 0.00 0.00 7.09 8.02 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 *138 P 0.00 4.45 0.00 2.14 2.11 0.00 3.56 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 139 E 8.03 3.42 0.00 1.26 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 2.05 2.19 0.00 140 F 7.30 4.65 0.00 2.89 2.88 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 *142 E 8.51 4.19 0.00 2.02 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 2.25 2.31 0.00 143 L 7.82 3.75 0.00 1.73 1.79 -0.22 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.36 4.08 0.00 3.89 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 0.00 145 T 7.80 3.83 4.37 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 1.22 0.00 0.00 146 R 7.78 3.93 0.00 1.86 2.00 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 147 V 7.94 3.69 2.19 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 1.09 0.00 0.00 0.93 0.00 0.00 148 S 7.97 4.09 0.00 4.10 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 0.00 149 S 7.99 4.06 0.00 3.92 4.06 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 0.00 150 M 7.92 4.02 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.61 0.00 151 L 7.58 3.90 0.00 1.79 1.68 0.95 0.23 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 0.00 152 E 7.97 4.07 0.00 2.16 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 2.57 2.48 0.00 153 A 7.79 4.14 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 0.00 154 I 7.43 3.97 1.93 0.00 0.00 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 1.32 0.63 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.