NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4768 8.3349 116.7945 57.7835 65.1204 173.3310 16 E 4.6089 7.7820 118.2096 53.4006 32.9438 173.7293 17 L 4.2746 9.1317 122.9731 54.4730 43.3699 177.7700 18 L 4.3513 9.5294 124.5717 54.1583 43.7469 178.2160 19 E 4.0469 8.5964 118.9821 59.7811 29.3243 179.4336 20 E 4.0310 8.2219 118.1849 59.4401 29.4972 179.4121 21 Q 4.0119 7.9944 117.5898 58.9765 28.9964 178.5501 22 K 4.1277 8.0567 119.3831 59.6324 32.0253 179.4117 23 Q 4.1831 8.4132 118.4022 58.9864 28.6601 178.4270 24 E 4.0260 8.4378 120.3856 59.3238 29.6597 178.9931 25 I 3.9635 7.9642 119.7981 64.6095 37.1692 177.6413 26 Y 4.3831 8.4036 120.2769 61.0296 38.8157 177.9935 27 E 3.7936 8.6591 119.2671 59.3444 29.3587 179.3049 28 A 4.0978 7.9989 119.5454 55.1613 18.8454 179.1591 29 F 3.8329 8.4155 119.1577 61.5585 39.0217 177.4986 30 S 4.0349 8.2050 115.0015 61.5367 62.2762 176.7054 31 L 3.3870 7.3984 120.3480 56.5005 41.2515 177.7975 32 F 4.7503 7.3791 114.2501 56.7840 40.3112 175.0610 33 D 4.2468 7.1537 121.5922 53.8388 41.5402 176.3261 *35 N 4.6292 8.5062 121.1758 51.4967 39.1688 173.7142 36 N 4.3170 7.7249 114.7229 55.4558 36.4507 174.2062 37 D 4.9204 8.4262 112.4248 52.5988 40.6063 176.1936 38 G 4.0774 9.6423 107.5901 46.7297 0.0000 173.5643 39 F 5.2437 8.6134 116.1441 55.4095 43.2061 174.2072 40 L 4.8682 8.5894 123.0157 52.9298 44.2757 176.5050 41 D 5.3656 8.9022 124.5873 51.6136 42.4720 176.8749 42 Y 4.0623 8.4521 118.7784 61.4410 38.4373 177.7491 43 H 3.8796 8.2042 116.4912 58.6662 28.8620 177.5657 44 E 3.8981 8.7820 120.7870 59.2992 29.1065 179.1499 45 L 3.8829 8.0679 119.4144 57.7619 42.1818 178.3418 46 K 3.7835 7.6028 119.0809 59.8261 32.3279 178.8460 47 V 3.5890 7.0561 110.4403 63.4786 30.8965 178.5597 48 A 4.0078 6.9573 117.2453 52.8231 17.8518 179.0924 *50 K 4.1250 7.9877 120.9797 57.7718 34.0548 178.0493 51 A 4.0313 7.9607 120.1152 55.1957 18.2249 178.3152 52 L 4.1310 7.5492 111.5952 55.0808 42.0616 177.6976 53 G 3.5858 8.0954 107.1501 45.3615 0.0000 174.4293 54 F 5.1324 7.2383 114.9381 55.9824 39.0342 175.7961 55 E 4.0721 8.0331 121.0754 56.2527 30.4447 175.5956 56 L 4.9177 8.1460 125.1654 51.9280 45.5104 174.6994 57 P 4.4213 0.0000 0.0000 62.4227 32.3254 177.3583 58 K 4.2159 8.9403 123.0758 60.0988 32.0765 179.0769 59 R 4.0173 8.0245 115.5124 59.1357 29.4353 178.4528 60 E 3.9934 8.4149 119.6116 59.1645 29.3980 179.0677 61 I 3.7834 7.8434 119.3960 64.5482 37.1992 178.2451 62 L 4.0947 8.0770 119.6520 58.0530 41.2258 179.3693 63 D 4.3810 8.2654 118.0589 57.1612 40.8574 178.3831 64 L 4.2390 8.1048 120.9386 58.1725 42.0319 179.0018 65 I 3.8474 8.1068 119.9376 64.7673 36.9123 178.2489 66 D 4.4509 8.2404 118.2990 57.2181 40.6310 178.1953 67 E 4.1251 7.9531 119.3165 58.1256 29.6210 176.7077 68 Y 4.5960 7.8008 115.3789 57.4112 38.6323 174.5061 69 D 4.9893 8.1484 119.3527 52.7256 43.1713 175.5576 70 S 4.3906 8.9355 122.9467 60.0906 63.5726 174.3797 71 E 4.6188 7.9826 119.2209 54.0594 31.2321 175.4166 72 G 4.0892 8.6908 115.5573 45.4064 0.0000 171.2428 73 R 4.6105 8.7225 118.4670 54.8639 32.9534 177.5452 74 H 4.6670 8.7363 120.0472 56.1606 28.0428 173.3496 75 L 5.9578 7.2627 121.0876 52.8394 44.0402 176.6999 *77 K 3.4621 8.3076 120.6925 56.8769 34.3338 176.2642 78 Y 3.5551 7.7661 126.5286 61.1399 38.1230 178.5473 79 D 4.2785 8.0557 118.8268 57.4202 40.7784 178.7360 80 D 4.2278 7.7945 118.6865 57.1590 40.8845 177.9134 81 F 3.9037 7.9024 119.8830 61.7860 39.3616 176.1305 82 Y 3.9964 7.8861 117.5348 60.8005 38.8297 178.1887 83 I 3.8333 7.3625 119.6735 64.2926 37.3389 179.0715 84 V 3.4964 7.3663 115.2882 63.6538 30.8750 177.5494 *86 G 3.5964 7.9923 107.7067 45.0084 0.0000 175.6511 87 E 3.9344 7.7294 119.0703 58.6699 29.3691 179.2377 88 K 3.6368 7.3157 118.3369 59.1501 32.1711 179.0287 89 I 4.0937 7.4590 119.5852 64.4626 36.9328 178.2797 90 L 4.0248 7.7071 118.6523 57.4588 41.4972 178.8665 91 K 4.3474 7.4634 115.5967 55.5336 32.3461 177.0546 92 R 3.9133 7.4905 121.4940 56.2605 30.5056 175.2944 93 D 4.5910 8.7157 125.7115 52.7721 41.0843 174.9330 94 P 4.3908 0.0000 0.0000 65.3610 31.1238 178.0068 95 L 4.0459 8.0280 120.3359 57.9844 41.9541 178.1218 96 D 4.3633 8.1178 119.2098 57.4148 40.7669 178.4092 97 E 3.9629 8.1360 119.1880 59.2518 29.7196 178.7945 98 I 3.7998 7.4027 118.6852 64.3775 37.2241 178.6168 99 K 4.0911 8.3372 119.5026 59.4164 31.6710 179.3649 100 R 3.9491 8.4857 119.2013 59.4776 29.9826 178.4342 101 A 4.1505 8.2592 120.6062 55.0527 18.2960 179.3110 102 F 3.3097 8.2353 119.1863 61.3943 39.2026 177.1879 103 Q 3.9717 7.8317 115.9691 59.2640 28.6186 178.9319 104 L 4.1526 7.4546 118.5268 57.4137 41.6911 179.2456 105 F 4.0014 7.9530 117.5515 59.6642 40.4580 176.6125 106 D 4.4282 7.9822 119.5716 53.5146 37.2524 176.3588 107 D 4.2091 7.2354 124.3598 57.3740 41.5191 178.6107 108 D 4.3933 7.7544 114.5592 52.8796 40.4034 175.2872 109 H 4.1711 7.5911 115.9305 57.5875 25.9062 175.1799 110 T 4.2766 8.2869 106.7606 61.3046 69.7892 175.9352 111 G 4.1665 9.2497 110.9912 45.3941 0.0000 173.4644 112 K 5.0439 7.4968 117.2050 54.7629 36.6753 176.2795 113 I 4.3513 9.0854 125.2024 60.3353 38.2990 175.8377 114 S 4.9100 8.7424 122.9534 56.8033 65.2189 175.2643 115 I 3.7187 8.4257 119.3468 64.1307 37.4007 177.7274 116 K 4.0013 7.9903 119.2468 59.7965 32.5249 178.6653 117 N 4.1923 7.7765 116.5339 56.2225 38.4752 177.0647 118 L 3.9390 7.9749 121.4596 58.1139 42.1641 178.7780 119 R 3.8396 8.3485 119.1284 59.5323 29.9538 178.4779 120 R 3.8062 7.6561 118.3140 59.1759 29.9726 178.6694 121 V 3.3000 7.4732 117.6587 65.7996 31.6285 177.5880 122 A 3.9482 7.9895 120.5713 55.4443 18.3311 179.8092 123 K 3.9232 8.1507 116.7866 59.5265 31.8282 179.2831 124 E 3.9381 7.9940 118.9143 59.0336 29.6964 178.1992 125 L 4.2395 7.9718 116.7118 55.0590 41.9055 178.0258 126 G 3.9381 7.7351 107.1881 45.2752 0.0000 173.9745 127 E 4.1221 7.7548 118.5646 56.5470 29.8973 177.2546 128 T 4.4493 8.2118 118.2144 61.4771 69.0213 172.4755 129 L 4.8884 7.9659 124.5118 52.1867 44.6841 177.5695 130 T 4.0283 8.7913 118.0668 62.1395 69.2674 174.8010 131 D 4.4558 8.6538 125.2338 57.2878 40.7716 179.0435 132 E 3.9808 8.1326 119.0302 59.3458 29.3236 178.8239 133 E 3.9969 8.1047 117.0163 59.5571 29.6742 179.0165 134 L 4.1852 7.7575 117.8116 57.6458 41.9025 179.2737 135 R 4.1011 8.4557 118.9443 59.0835 30.2033 179.6398 136 A 4.3640 8.3031 121.1349 52.0528 18.4092 179.5446 *138 I 4.1680 7.7636 123.3074 63.0513 39.1247 177.8791 139 E 3.9396 8.3948 120.9548 59.2828 29.4639 178.6088 140 E 3.8772 7.9526 117.5066 58.0665 29.6647 176.9533 141 F 4.6712 7.9790 114.5431 56.9145 40.2543 174.8305 142 D 4.6595 7.7671 120.2495 53.4904 40.3752 175.4918 143 L 4.3517 8.7740 128.1433 56.9191 42.2941 178.5803 144 D 4.3798 8.2115 116.7025 54.6303 39.7439 177.1148 145 G 4.0641 8.1904 106.7300 45.1389 0.0000 173.7763 146 D 4.4265 7.9909 118.0520 53.8484 39.4983 177.4253 147 G 3.9583 9.0329 108.6456 45.6714 0.0000 172.5978 148 E 4.8629 8.3032 117.4240 54.5538 34.3059 175.0372 149 I 4.7605 8.6132 121.9898 59.8184 39.2827 175.9932 150 N 5.1070 9.6651 126.2431 51.9934 39.2383 176.0071 151 E 2.5400 8.6208 118.2883 59.2892 29.5775 178.1846 152 N 4.2052 8.0503 115.7034 56.5648 38.4168 177.1081 153 E 4.0599 8.6373 119.9035 59.1273 29.5447 179.1935 154 F 4.1873 8.1504 120.9201 61.3595 39.2941 177.2212 155 I 3.5414 7.7919 118.2801 64.4048 36.9184 177.9313 156 A 4.0799 7.6143 120.2433 55.0446 18.2355 179.3979 157 I 3.3868 7.0098 117.5805 63.8802 37.5273 177.6807 158 C 4.4970 7.1998 115.8722 58.9728 29.0211 172.7801 159 T 4.6025 7.3103 115.4174 63.0269 72.4114 173.3345 160 D 4.8993 8.4753 118.9204 54.2834 42.8051 176.3516 161 S 4.1312 7.7793 118.4389 58.4930 62.5422 173.1619 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 15 S 8.33 4.48 0.00 3.88 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 16 E 7.78 4.61 0.00 1.99 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 2.20 2.40 0.00 17 L 9.13 4.27 0.00 1.66 1.61 0.67 0.89 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 18 L 9.53 4.35 0.00 1.72 1.74 0.93 0.81 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 19 E 8.60 4.05 0.00 2.00 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 2.42 2.36 0.00 20 E 8.22 4.03 0.00 2.08 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 2.42 2.49 0.00 21 Q 7.99 4.01 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 22 K 8.06 4.13 0.00 1.97 2.14 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.64 1.82 7.81 23 Q 8.41 4.18 0.00 2.44 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 24 E 8.44 4.03 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 25 I 7.96 3.96 2.25 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 1.23 0.00 0.00 26 Y 8.40 4.38 0.00 3.29 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 27 E 8.66 3.79 0.00 2.23 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 2.41 2.77 0.00 28 A 8.00 4.10 1.63 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 29 F 8.42 3.83 0.00 3.00 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 30 S 8.21 4.03 0.00 3.66 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.40 3.39 0.00 1.12 0.36 0.71 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.38 4.75 0.00 2.78 2.87 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 33 D 7.15 4.25 0.00 2.31 2.43 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 0.00 *35 N 8.51 4.63 0.00 2.92 2.97 0.00 0.00 6.17 8.04 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 36 N 7.72 4.32 0.00 2.89 2.93 0.00 0.00 6.70 7.73 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 37 D 8.43 4.92 0.00 2.92 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 38 G 9.64 4.08 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 0.00 39 F 8.61 5.24 0.00 3.46 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 40 L 8.59 4.87 0.00 1.68 1.44 0.51 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.90 5.37 0.00 3.01 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 42 Y 8.45 4.06 0.00 3.07 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 43 H 8.20 3.88 0.00 3.34 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.78 3.90 0.00 2.13 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 2.57 0.00 45 L 8.07 3.88 0.00 1.64 1.83 1.20 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.60 3.78 0.00 1.20 1.62 0.00 1.81 0.00 0.00 1.46 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.35 7.81 47 V 7.06 3.59 1.44 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 0.55 0.00 0.00 0.40 0.00 0.00 48 A 6.96 4.01 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 *50 K 7.99 4.12 0.00 1.90 1.86 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.39 7.81 51 A 7.96 4.03 1.56 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 52 L 7.55 4.13 0.00 1.75 1.61 1.13 1.12 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 53 G 8.10 3.59 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 0.00 0.00 0.00 54 F 7.24 5.13 0.00 3.02 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 55 E 8.03 4.07 0.00 1.92 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 2.30 2.33 0.00 56 L 8.15 4.92 0.00 1.66 1.55 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.42 0.00 2.20 2.00 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.10 0.00 58 K 8.94 4.22 0.00 1.93 1.87 0.00 1.48 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.44 7.81 59 R 8.02 4.02 0.00 2.08 2.18 0.00 3.03 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 60 E 8.41 3.99 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 61 I 7.84 3.78 2.29 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.83 1.04 0.00 0.00 62 L 8.08 4.09 0.00 1.88 1.74 0.72 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.27 4.38 0.00 2.86 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 64 L 8.10 4.24 0.00 2.09 1.79 0.89 1.00 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 65 I 8.11 3.85 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 1.07 0.00 0.00 66 D 8.24 4.45 0.00 2.79 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 67 E 7.95 4.13 0.00 2.19 2.31 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 2.01 2.26 0.00 68 Y 7.80 4.60 0.00 2.95 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 69 D 8.15 4.99 0.00 2.86 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 70 S 8.94 4.39 0.00 3.94 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 71 E 7.98 4.62 0.00 1.89 1.85 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 2.21 2.34 0.00 72 G 8.69 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 73 R 8.72 4.61 0.00 1.85 1.81 0.00 2.97 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.51 0.00 74 H 8.74 4.67 0.00 3.32 3.40 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.26 5.96 0.00 1.66 1.76 0.56 1.06 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 *77 K 8.31 3.46 0.00 1.93 1.72 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 0.99 7.81 78 Y 7.77 3.56 0.00 2.07 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 79 D 8.06 4.28 0.00 2.68 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 80 D 7.79 4.23 0.00 2.84 2.40 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 81 F 7.90 3.90 0.00 3.09 3.17 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 82 Y 7.89 4.00 0.00 2.28 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 83 I 7.36 3.83 1.94 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 1.47 1.07 0.93 0.00 0.00 84 V 7.37 3.50 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 0.80 0.00 0.00 0.36 0.00 0.00 *86 G 7.99 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 87 E 7.73 3.93 0.00 2.15 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 0.00 2.44 2.21 0.00 88 K 7.32 3.64 0.00 0.85 0.74 0.00 1.00 0.00 0.00 0.80 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.97 1.17 7.81 89 I 7.46 4.09 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.89 0.94 0.00 0.00 90 L 7.71 4.02 0.00 1.73 1.71 0.88 0.77 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 91 K 7.46 4.35 0.00 1.83 1.84 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.54 7.81 92 R 7.49 3.91 0.00 2.18 1.89 0.00 3.24 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 93 D 8.72 4.59 0.00 2.76 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 94 P 0.00 4.39 0.00 2.29 2.29 0.00 3.75 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 2.06 2.02 0.00 95 L 8.03 4.05 0.00 1.77 1.86 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.12 4.36 0.00 2.86 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 97 E 8.14 3.96 0.00 2.04 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 0.00 2.40 2.44 0.00 98 I 7.40 3.80 1.97 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 1.73 0.91 0.85 0.00 0.00 99 K 8.34 4.09 0.00 1.98 1.90 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 100 R 8.49 3.95 0.00 2.11 1.98 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 101 A 8.26 4.15 1.67 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 0.00 0.00 102 F 8.24 3.31 0.00 3.03 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 7.83 3.97 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 104 L 7.45 4.15 0.00 1.86 1.73 0.98 0.84 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 0.00 105 F 7.95 4.00 0.00 2.54 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 0.00 106 D 7.98 4.43 0.00 2.08 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 0.00 0.00 0.00 0.00 107 D 7.24 4.21 0.00 2.60 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 0.00 108 D 7.75 4.39 0.00 2.72 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 0.00 109 H 7.59 4.17 0.00 3.38 3.42 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 0.00 110 T 8.29 4.28 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 1.30 0.00 0.00 111 G 9.25 4.17 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 0.00 112 K 7.50 5.04 0.00 1.67 1.75 0.00 1.74 0.00 0.00 1.93 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 113 I 9.09 4.35 1.87 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.01 0.98 0.00 0.00 114 S 8.74 4.91 0.00 3.92 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.43 3.72 1.89 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 1.70 1.57 0.92 0.00 0.00 116 K 7.99 4.00 0.00 2.00 2.04 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 117 N 7.78 4.19 0.00 3.11 2.98 0.00 0.00 6.60 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.97 3.94 0.00 1.96 1.84 1.16 0.80 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 0.00 119 R 8.35 3.84 0.00 1.98 2.05 0.00 3.14 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 120 R 7.66 3.81 0.00 1.90 1.99 0.00 3.34 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 121 V 7.47 3.30 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 0.53 0.00 0.00 0.19 0.00 0.00 122 A 7.99 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.15 3.92 0.00 1.90 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 124 E 7.99 3.94 0.00 2.12 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 2.27 2.30 0.00 125 L 7.97 4.24 0.00 1.73 1.68 0.91 1.19 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 0.00 126 G 7.74 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 0.00 127 E 7.75 4.12 0.00 2.13 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 2.35 2.43 0.00 128 T 8.21 4.45 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 1.21 0.00 0.00 129 L 7.97 4.89 0.00 1.60 1.56 0.95 1.03 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 0.00 130 T 8.79 4.03 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 1.27 0.00 0.00 131 D 8.65 4.46 0.00 2.81 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 0.00 132 E 8.13 3.98 0.00 2.06 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 2.41 2.47 0.00 133 E 8.10 4.00 0.00 2.17 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 2.34 2.42 0.00 134 L 7.76 4.19 0.00 1.81 1.76 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.46 4.10 0.00 1.99 2.16 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 136 A 8.30 4.36 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 *138 I 7.76 4.17 2.08 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 1.40 0.98 1.02 0.00 0.00 139 E 8.39 3.94 0.00 2.17 1.95 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 2.32 2.41 0.00 140 E 7.95 3.88 0.00 1.78 1.65 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 1.80 1.47 0.00 141 F 7.98 4.67 0.00 3.12 3.05 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 0.00 0.00 0.00 142 D 7.77 4.66 0.00 2.78 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 0.00 143 L 8.77 4.35 0.00 1.72 1.72 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.21 4.38 0.00 2.78 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 0.00 145 G 8.19 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 0.00 146 D 7.99 4.43 0.00 2.78 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 0.00 147 G 9.03 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 0.00 148 E 8.30 4.86 0.00 1.87 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 2.26 2.29 0.00 149 I 8.61 4.76 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 1.13 0.00 0.00 150 N 9.67 5.11 0.00 2.82 3.03 0.00 0.00 6.20 7.66 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 0.00 151 E 8.62 2.54 0.00 1.17 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.70 0.00 152 N 8.05 4.21 0.00 2.89 2.83 0.00 0.00 7.03 7.66 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 0.00 153 E 8.64 4.06 0.00 2.29 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 0.00 2.39 2.41 0.00 154 F 8.15 4.19 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 0.00 155 I 7.79 3.54 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.85 0.00 0.00 156 A 7.61 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.01 3.39 1.48 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.39 0.35 0.00 0.00 158 C 7.20 4.50 0.00 2.68 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 0.00 159 T 7.31 4.60 4.17 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 1.26 0.00 0.00 160 D 8.48 4.90 0.00 2.58 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 0.00 161 S 7.78 4.13 0.00 3.75 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 * Residues marked with a * may have inaccurate shift predictions.