NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-6 E 4.3171 8.4029 116.7912 56.6700 33.5758 178.7225 *-5 N 3.9141 9.3737 114.6469 54.5187 36.6704 170.5813 -4 L 3.9318 6.9216 119.6122 57.6787 43.1448 177.4938 -3 Y 4.0925 8.1725 113.2982 57.4497 38.1666 176.1831 -2 F 4.9360 8.1683 117.5112 56.3766 39.3431 177.1702 -1 Q 4.5128 7.3385 119.6488 56.1784 29.3092 174.4422 0 G 3.7719 8.1396 105.2255 42.8118 0.0000 170.9795 -4 P 4.0118 0.0000 0.0000 65.8787 32.8448 177.1938 -3 R 3.8825 8.2825 113.4982 55.5497 31.2666 176.5831 -2 W 4.9760 8.1183 118.5112 56.1766 29.3431 177.4702 -1 L 4.5128 7.1785 121.6488 55.5784 42.3092 176.0422 0 I 3.9819 7.8096 116.3255 58.8118 38.1700 172.4795 7 Q 5.4754 9.3289 127.0334 54.8106 30.6881 174.9213 8 H 4.3310 8.1252 116.1426 54.1419 31.7175 173.1029 9 S 4.5696 6.9222 114.6510 57.2725 63.9095 172.1672 10 P 4.5659 0.0000 0.0000 62.3362 32.0012 175.7542 11 N 4.2160 8.6378 116.3686 55.3897 36.2668 175.3386 12 T 4.4177 8.1543 113.0126 64.3209 71.1263 174.9967 13 L 4.8991 7.5356 119.1141 52.6284 44.6395 177.0542 14 T 4.2672 8.9113 114.2740 60.4141 71.4149 174.1638 15 P 4.0902 0.0000 0.0000 65.8226 31.2232 178.8347 16 E 3.9341 8.0200 116.8514 59.4033 29.3790 179.0770 17 E 3.9364 8.0690 118.5648 59.2307 29.5210 179.3630 18 K 3.3832 7.8635 118.5638 59.4376 31.9796 179.3134 19 S 4.0607 7.7829 112.8737 61.5437 62.2761 175.6463 20 H 4.1033 8.3474 121.0868 59.0635 29.5375 176.8986 21 L 3.6887 8.2992 122.3570 58.1436 41.8835 178.8218 22 A 3.8787 8.1677 120.6007 55.2373 18.1970 179.6934 23 Q 3.8254 7.9954 116.5624 59.0140 28.7746 178.8580 24 Q 3.6110 7.7705 119.0976 58.7974 28.2613 178.9364 25 I 3.0883 7.1202 120.9358 64.3816 36.9631 178.5231 26 T 3.9051 7.7316 116.5235 66.8569 68.2796 176.3999 27 Q 3.9261 8.2551 121.2819 58.9164 28.7451 178.0757 28 A 4.0322 7.7024 121.0660 55.6838 18.8268 179.0099 29 Y 4.4538 8.0779 114.7180 61.1709 37.9279 178.5258 30 V 4.0723 7.8069 120.9433 65.4254 31.3766 178.2836 31 G 3.5216 8.2551 104.4255 46.6688 0.0000 174.0370 32 F 4.4060 7.9080 118.3965 57.1709 39.0126 176.7552 33 G 3.9888 8.3241 108.4827 45.2953 0.0000 174.3851 34 L 4.0954 7.6658 120.0052 53.3325 42.6190 174.7973 35 P 4.3475 0.0000 0.0000 62.4198 32.1959 177.0667 36 A 4.0453 9.0398 126.0078 55.4373 18.3061 179.5812 37 F 4.5499 8.5844 108.8900 59.1946 38.1087 176.2569 38 Y 3.9796 7.4587 119.2704 60.5943 37.7646 176.1813 39 V 3.8675 7.7488 120.2853 62.4184 31.8026 175.4631 40 Q 4.7213 8.6549 127.1871 54.0759 31.0472 175.4849 41 V 4.8110 8.1944 122.6064 61.5897 34.2350 174.0114 42 H 5.0701 8.8690 124.5588 54.0717 31.4828 173.0332 43 F 5.0735 9.1614 121.6758 56.0592 41.2601 175.4540 44 I 4.5965 8.3187 122.4889 59.3646 40.4139 174.1435 45 E 4.1712 8.8599 129.1268 55.9818 30.9520 175.2115 46 Q 4.6807 8.8174 126.9692 53.7127 29.9194 174.0500 47 P 4.5110 0.0000 0.0000 62.0854 32.8634 176.0807 48 A 4.1023 8.4746 124.8173 54.1235 18.6592 178.3683 49 G 3.9765 8.9983 110.5652 45.4474 0.0000 173.8341 50 T 4.6248 7.5037 107.7725 61.2155 70.0721 174.4112 51 S 4.6259 7.2558 118.5795 56.7202 66.1489 172.8310 52 F 5.0037 8.4983 122.2227 55.6887 42.3407 174.2183 53 I 4.3253 8.4229 125.7952 60.2481 39.3883 175.6265 54 G 4.1160 9.9800 113.6206 46.3401 0.0000 174.1385 55 G 4.0053 8.5280 107.4662 44.8241 0.0000 173.9701 56 E 4.2216 8.1420 122.0463 55.4205 30.2013 176.0525 57 Q 4.7262 8.3678 124.6818 55.3864 27.0040 173.8228 58 H 4.3495 8.2327 122.0381 55.1612 30.3045 173.2559 59 P 4.7219 0.0000 0.0000 63.3555 32.6291 175.7627 60 N 5.2203 8.1835 117.8042 53.0359 38.4714 172.4660 61 F 5.4731 8.6590 116.1561 55.0755 42.7546 175.8993 62 V 4.6792 8.7530 118.6493 61.1440 34.7678 173.7606 63 A 5.3459 9.6359 130.2227 50.3549 21.4886 174.7486 64 L 5.6575 9.5913 123.2382 53.5519 44.7900 175.8578 65 T 3.9554 8.3649 119.0123 61.5040 71.1883 173.3557 66 I 3.8053 7.5058 127.8905 59.5643 39.1586 174.2725 67 Y 4.8206 8.3730 125.5101 56.9795 39.0545 174.9204 68 H 5.1396 9.0500 120.8906 53.3939 33.4362 172.9448 69 L 4.4995 8.3173 119.2334 54.3885 42.1148 177.3658 70 A 4.1081 8.6868 125.2605 52.2708 18.9940 177.3968 71 R 4.3991 8.1949 119.4290 54.5020 31.9634 177.3456 72 T 3.8027 8.1647 110.5709 64.5417 69.0546 174.7227 *74 T 4.1074 7.6217 117.8440 63.2897 69.6577 173.5227 75 S 4.6388 8.3985 118.9132 56.0168 65.1623 174.2280 76 D 4.3132 8.7465 129.9635 57.2376 40.8337 178.1228 77 E 3.9349 8.1925 119.3293 59.6432 29.7259 178.8697 78 Q 4.1300 8.1002 117.7357 58.8549 28.7391 178.7083 79 R 2.8190 8.0382 119.9395 59.2611 29.9710 178.6183 80 Q 4.1221 8.2808 118.0564 58.8575 28.7651 179.1177 81 G 3.6770 8.0773 106.5250 47.5975 0.0000 175.6123 82 F 4.1524 8.2561 123.0227 61.0990 39.3700 177.2675 83 L 3.7114 8.2720 119.0247 57.4395 41.4284 179.2419 84 K 3.8287 8.1955 119.7435 59.7817 30.9751 178.9891 85 R 3.9512 7.8257 117.9995 59.2104 29.9779 179.1371 86 I 2.6502 7.2799 112.8667 63.4814 37.6289 178.0267 87 D 4.2974 8.2156 120.7983 56.9516 40.3784 178.4412 88 A 4.0399 7.7564 120.7736 54.2025 18.3286 178.5716 89 F 4.6710 6.6002 108.7686 58.2119 39.2851 178.0337 90 L 3.5259 7.2370 118.8199 57.6158 41.6541 179.1372 91 T 3.7791 7.6835 115.5035 65.9129 68.3453 177.1238 92 P 4.5566 0.0000 0.0000 62.2909 30.8704 177.7306 *94 F 5.0053 8.2450 118.4573 57.6783 41.0584 177.1705 95 E 4.1058 8.2919 121.2227 58.9120 29.2433 177.0901 96 P 4.4490 0.0000 0.0000 64.6570 31.3499 177.1790 97 K 4.4317 8.0761 117.9505 55.5096 32.0382 177.3257 98 G 4.1366 8.0246 107.0241 46.2966 0.0000 174.0113 99 I 4.2686 7.2822 120.4362 61.2278 38.0094 175.2897 100 D 5.2223 8.8991 126.3682 52.8915 42.3931 175.6618 101 W 6.3000 8.6219 119.3627 53.7653 31.7398 174.1188 102 E 4.6843 8.8793 121.2540 54.7862 32.6889 173.3788 103 Y 5.8932 8.3809 123.3854 54.4095 41.4855 174.1091 104 F 5.1228 8.3218 113.9647 55.8097 41.9157 172.6788 105 V 4.3725 8.3942 119.0380 61.2492 33.4372 174.5136 106 T 4.7525 8.5323 121.7764 60.2860 70.5915 172.2828 107 E 5.8944 9.0333 124.9518 53.8447 33.1512 175.0957 108 A 4.8635 8.1363 122.1628 49.3147 23.4541 173.9207 109 P 4.5165 0.0000 0.0000 62.4598 32.1615 177.5877 110 R 4.0393 8.7792 122.7359 59.4041 30.1651 177.5972 111 D 4.6118 8.1272 115.0453 54.8168 39.7446 176.4636 112 L 4.6812 7.7914 119.1458 54.1122 41.9927 175.3617 113 W 4.9649 7.8767 129.1564 55.5256 32.3137 175.2411 114 K 4.5210 8.4077 123.4519 54.5943 35.8759 175.4707 115 I 4.4418 8.1781 121.8361 60.9048 39.7286 175.8550 116 N 4.1999 9.9665 122.5124 54.3934 36.1227 175.1668 117 G 3.9306 8.4708 102.3532 45.6018 0.0000 173.6919 118 L 4.7236 7.7627 119.3942 52.0800 44.3962 175.9408 119 A 4.2300 8.5200 126.4315 51.3230 18.8339 175.7732 120 P 3.2988 0.0000 0.0000 61.0945 31.9717 174.6591 121 P 4.1789 0.0000 0.0000 61.7939 32.1033 176.4516 122 A 3.9789 8.3107 122.5934 51.9691 18.8040 177.1396 123 A 4.2727 8.6431 124.4596 54.2923 18.5392 178.2604 124 G 3.9539 9.5965 111.9420 45.9004 0.0000 174.2698 125 S 4.4615 7.7279 115.5817 57.4791 65.4790 175.0142 126 E 3.9658 8.4858 121.3558 59.5810 29.2974 179.3083 127 E 3.7784 7.9995 118.1463 59.3977 29.3655 178.8914 128 E 3.9434 8.2572 119.2125 59.2505 29.7073 178.9676 129 K 4.0071 7.9379 118.1349 59.3604 32.0153 179.5099 130 V 3.7596 7.8343 118.1327 66.0312 31.6646 178.2132 131 W 4.4558 8.6635 118.2965 59.6304 28.6189 178.7302 132 V 3.6915 8.2152 118.0091 66.2055 31.1233 177.4912 133 R 4.1167 7.9154 116.2098 59.2890 30.0001 177.9996 134 E 4.0640 8.3792 115.3940 56.6006 30.0062 175.8538 135 N 4.3812 7.7105 116.6957 53.5669 37.9344 173.1540 136 R 2.6972 6.7171 108.9517 53.9175 31.8484 172.4178 137 P 2.0000 0.0000 0.0000 61.4183 31.6140 176.1654 138 V 3.9158 5.8492 122.5953 60.4156 33.4980 175.0669 139 R 3.9966 8.1496 127.2008 56.1133 30.8121 176.0059 140 F 4.6856 8.4934 121.2507 57.7507 39.3240 175.5436 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 *-6 E 8.40 4.32 0.00 1.91 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 2.21 1.88 0.00 *-5 N 9.37 3.91 0.00 2.81 2.33 0.00 0.00 6.59 5.79 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 -4 L 6.92 3.93 0.00 1.08 1.24 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.17 4.09 0.00 2.70 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 -2 F 8.17 4.94 0.00 2.85 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 -1 Q 7.34 4.51 0.00 2.29 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.23 0.00 0 G 8.14 3.77 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 0.00 0.00 0.00 -4 P 0.00 4.01 0.00 1.75 1.56 0.00 3.52 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 -3 R 8.28 3.88 0.00 1.53 1.03 0.00 2.21 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 -2 W 8.12 4.98 0.00 3.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 L 7.18 4.51 0.00 1.79 2.01 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0 I 7.81 3.98 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 1.47 0.51 0.91 0.00 0.00 7 Q 9.33 5.48 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 8 H 8.13 4.33 0.00 3.04 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 6.92 4.57 0.00 3.94 4.10 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 10 P 0.00 4.57 0.00 1.96 2.03 0.00 3.89 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 11 N 8.64 4.22 0.00 2.84 2.88 0.00 0.00 6.75 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 12 T 8.15 4.42 4.31 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 1.21 0.00 0.00 13 L 7.54 4.90 0.00 1.35 1.40 1.04 0.99 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 14 T 8.91 4.27 4.32 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 1.23 0.00 0.00 15 P 0.00 4.09 0.00 2.12 2.08 0.00 3.55 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 16 E 8.02 3.93 0.00 2.00 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 2.36 2.42 0.00 17 E 8.07 3.94 0.00 2.20 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 2.31 2.31 0.00 18 K 7.86 3.38 0.00 1.49 0.74 0.00 1.29 0.00 0.00 0.92 0.00 0.00 2.60 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 1.12 7.81 19 S 7.78 4.06 0.00 3.88 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 20 H 8.35 4.10 0.00 3.23 3.35 0.00 5.65 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 21 L 8.30 3.69 0.00 1.93 2.00 0.93 1.47 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 22 A 8.17 3.88 1.43 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 0.00 0.00 23 Q 8.00 3.83 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 24 Q 7.77 3.61 0.00 1.46 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 25 I 7.12 3.09 1.43 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.11 -0.09 0.00 0.00 26 T 7.73 3.91 4.31 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 1.23 0.00 0.00 27 Q 8.26 3.93 0.00 2.08 2.13 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 2.31 2.39 0.00 28 A 7.70 4.03 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 29 Y 8.08 4.45 0.00 3.16 3.24 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 30 V 7.81 4.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.08 0.00 0.00 31 G 8.26 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.91 4.41 0.00 3.02 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 33 G 8.32 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 34 L 7.67 4.10 0.00 2.02 1.54 1.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.35 0.00 1.52 2.34 0.00 2.20 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.05 0.00 36 A 9.04 4.05 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 37 F 8.58 4.55 0.00 3.27 3.33 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 38 Y 7.46 3.98 0.00 2.89 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 39 V 7.75 3.87 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 0.56 0.00 0.00 0.90 0.00 0.00 40 Q 8.65 4.72 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 41 V 8.19 4.81 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 0.57 0.00 0.00 0.66 0.00 0.00 42 H 8.87 5.07 0.00 3.09 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 9.16 5.07 0.00 2.99 3.13 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 44 I 8.32 4.60 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.28 0.97 0.00 0.00 45 E 8.86 4.17 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 46 Q 8.82 4.68 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.77 0.00 47 P 0.00 4.51 0.00 2.09 2.00 0.00 3.64 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 48 A 8.47 4.10 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 49 G 9.00 3.98 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 0.00 0.00 0.00 50 T 7.50 4.62 4.31 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 1.26 0.00 0.00 51 S 7.26 4.63 0.00 3.78 3.28 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 52 F 8.50 5.00 0.00 2.98 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 53 I 8.42 4.33 1.84 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.40 0.86 0.00 0.00 54 G 9.98 4.12 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 0.00 0.00 0.00 55 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 56 E 8.14 4.22 0.00 2.02 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 2.27 2.27 0.00 57 Q 8.37 4.73 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.68 2.32 0.00 58 H 8.23 4.35 0.00 3.05 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.72 0.00 2.25 2.16 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 60 N 8.18 5.22 0.00 2.90 2.82 0.00 0.00 6.65 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 61 F 8.66 5.47 0.00 3.05 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 62 V 8.75 4.68 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.50 0.00 0.00 63 A 9.64 5.35 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 64 L 9.59 5.66 0.00 1.76 1.58 1.40 1.21 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 65 T 8.36 3.96 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 0.10 0.00 0.00 66 I 7.51 3.81 1.31 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.27 0.20 0.00 0.00 67 Y 8.37 4.82 0.00 2.82 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 68 H 9.05 5.14 0.00 2.85 2.96 0.00 5.63 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.32 4.50 0.00 1.33 1.45 0.44 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.69 4.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.19 4.40 0.00 1.62 1.61 0.00 2.26 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.30 0.00 72 T 8.16 3.80 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 *74 T 7.62 4.11 4.28 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 1.30 0.00 0.00 75 S 8.40 4.64 0.00 3.92 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 76 D 8.75 4.31 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 77 E 8.19 3.93 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 2.44 2.46 0.00 78 Q 8.10 4.13 0.00 2.48 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 79 R 8.04 2.82 0.00 1.02 1.82 0.00 3.00 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.14 0.00 80 Q 8.28 4.12 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 81 G 8.08 3.68 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 0.00 0.00 0.00 82 F 8.26 4.15 0.00 2.79 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 83 L 8.27 3.71 0.00 1.70 1.75 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.20 3.83 0.00 1.98 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 85 R 7.83 3.95 0.00 2.27 2.09 0.00 3.48 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 86 I 7.28 2.65 1.44 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.18 0.53 0.00 0.00 87 D 8.22 4.30 0.00 2.84 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 88 A 7.76 4.04 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 89 F 6.60 4.67 0.00 2.94 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 90 L 7.24 3.53 0.00 1.58 1.54 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.68 3.78 4.39 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 1.40 0.00 0.00 92 P 0.00 4.56 0.00 1.99 2.04 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 *94 F 8.25 5.01 0.00 1.75 2.54 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 95 E 8.29 4.11 0.00 2.23 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 2.53 0.00 96 P 0.00 4.45 0.00 2.28 2.18 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 97 K 8.08 4.43 0.00 2.05 1.91 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.44 1.48 7.81 98 G 8.02 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 0.00 0.00 0.00 99 I 7.28 4.27 2.06 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 1.30 0.62 0.67 0.00 0.00 100 D 8.90 5.22 0.00 2.70 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 0.00 101 W 8.62 6.30 0.00 3.24 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 0.00 102 E 8.88 4.68 0.00 1.94 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 0.00 2.29 2.17 0.00 103 Y 8.38 5.89 0.00 2.79 2.96 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 0.00 104 F 8.32 5.12 0.00 3.11 3.06 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 0.00 105 V 8.39 4.37 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 0.51 0.00 0.00 0.68 0.00 0.00 106 T 8.53 4.75 4.30 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 0.58 0.00 0.00 107 E 9.03 5.89 0.00 1.81 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 2.12 2.05 0.00 108 A 8.14 4.86 1.15 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 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.52 0.00 2.45 2.21 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 110 R 8.78 4.04 0.00 1.91 2.03 0.00 3.24 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 111 D 8.13 4.61 0.00 2.85 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 0.00 112 L 7.79 4.68 0.00 1.73 1.74 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 113 W 7.88 4.96 0.00 3.04 3.29 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 0.00 114 K 8.41 4.52 0.00 1.68 1.63 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.42 7.81 115 I 8.18 4.44 1.95 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.19 1.08 0.00 0.00 116 N 9.97 4.20 0.00 2.68 2.77 0.00 0.00 7.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.47 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 0.00 118 L 7.76 4.72 0.00 2.01 1.77 0.88 0.63 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 0.00 119 A 8.52 4.23 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 3.30 0.00 1.30 1.32 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.25 0.00 121 P 0.00 4.18 0.00 1.84 1.74 0.00 2.91 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.11 0.00 122 A 8.31 3.98 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 0.00 123 A 8.64 4.27 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 0.00 124 G 9.60 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 0.00 125 S 7.73 4.46 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.49 3.97 0.00 1.95 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 2.38 2.37 0.00 127 E 8.00 3.78 0.00 1.76 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 1.47 1.88 0.00 128 E 8.26 3.94 0.00 2.16 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 0.00 2.35 2.39 0.00 129 K 7.94 4.01 0.00 2.05 1.91 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.68 7.81 130 V 7.83 3.76 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 1.33 0.00 0.00 1.20 0.00 0.00 131 W 8.66 4.46 0.00 3.77 3.65 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 0.00 132 V 8.22 3.69 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.09 0.00 0.00 133 R 7.92 4.12 0.00 2.09 2.02 0.00 3.25 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 1.71 1.93 0.00 134 E 8.38 4.06 0.00 1.93 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 2.51 2.35 0.00 135 N 7.71 4.38 0.00 2.85 2.78 0.00 0.00 7.00 7.58 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 0.00 136 R 6.72 2.70 0.00 1.32 1.33 0.00 2.82 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.13 0.00 137 P 0.00 2.00 0.00 1.56 1.22 0.00 3.09 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 138 V 5.85 3.92 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 0.58 0.00 0.00 0.61 0.00 0.00 139 R 8.15 4.00 0.00 1.70 1.70 0.00 3.32 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 140 F 8.49 4.69 0.00 3.16 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 * Residues marked with a * may have inaccurate shift predictions.