NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 D 4.7740 8.3649 120.3511 53.4997 40.6148 174.9340 13 V 4.1670 8.2370 111.1062 60.0014 32.0167 175.6584 14 S 4.5490 8.0558 115.1649 57.9702 64.7504 174.3738 15 G 3.7448 7.4511 108.5476 44.6322 0.0000 171.0850 16 T 4.6732 7.4492 116.9025 61.5474 70.1773 174.4539 17 W 4.9396 9.0775 126.8136 55.0749 32.1276 174.2881 18 Y 4.9044 9.4334 122.4563 55.9479 40.0384 174.8241 19 L 4.3796 9.0067 127.1871 55.2805 42.2159 176.3768 20 K 4.4873 8.9597 125.6015 57.9385 33.9641 176.7563 21 A 4.5681 7.2627 118.0769 51.1370 22.3338 175.0968 22 M 5.5559 8.6985 120.1360 53.9778 36.2750 174.5066 23 T 4.8123 9.0135 115.3555 61.9565 69.7904 173.5175 24 V 4.4735 8.6987 122.7713 61.2972 35.9440 173.4811 *32 N 4.3093 8.5324 120.0601 54.1381 40.0900 173.6677 33 L 4.0493 8.6242 125.8847 56.2317 40.2867 177.3289 34 E 4.1152 8.1277 115.4915 58.8175 29.5468 177.8386 35 S 4.6197 7.8842 111.0701 57.6867 63.4610 174.2033 36 V 3.6856 7.1239 120.6054 63.8718 31.6200 175.0737 37 T 4.8155 8.0509 120.4744 60.0563 70.4617 171.2982 38 P 4.6579 0.0000 0.0000 62.4451 33.3113 174.4514 39 M 4.9272 8.7790 118.9866 54.0603 35.3555 174.0326 40 T 5.0790 8.9299 122.3751 61.8627 71.5144 173.2225 41 L 5.2167 9.0117 126.1174 53.2964 44.5581 175.4738 42 T 4.9726 8.6529 120.4413 61.8444 71.6092 173.6479 43 T 4.4438 8.6283 122.9879 63.4902 69.4734 174.0996 44 L 4.7961 8.7763 125.7847 52.5344 45.0643 175.9676 45 E 4.1486 8.5828 120.7899 58.0212 29.7083 177.7299 46 G 3.9404 8.9726 111.6305 45.0131 0.0000 174.3412 47 G 3.9850 7.9807 108.0493 44.9479 0.0000 173.6108 48 N 4.8502 7.8725 116.8590 53.1624 40.3169 173.6901 49 L 5.1821 8.6595 119.5080 53.0223 45.5845 175.2658 50 E 4.8810 9.1706 123.5172 54.7149 31.6430 174.2678 51 A 5.1166 8.9529 129.2689 50.2566 21.4721 175.5115 52 K 5.0782 9.0202 122.9738 54.8457 36.0842 175.4695 53 V 4.8805 8.7392 118.6198 60.0501 36.7415 174.1107 54 T 4.9437 8.4156 117.4715 62.1543 70.6686 173.6376 55 M 4.5023 8.9236 128.3839 54.4140 36.6314 175.7523 *58 S 4.3755 8.8314 120.8132 59.8958 64.5000 173.6201 59 G 4.3837 8.2550 120.5297 46.1759 0.0000 174.9763 60 R 4.3992 8.5182 121.5517 54.4497 32.1672 174.7452 61 C 4.5720 8.3142 119.5891 58.6956 32.1985 172.3545 62 Q 4.5978 9.4700 128.5006 54.1359 32.5069 173.5290 63 E 4.6275 8.8343 126.6307 56.2639 30.9445 175.8930 64 V 4.4644 8.8673 125.6427 61.1045 34.5988 174.2293 65 K 5.3287 8.7847 126.1400 54.7788 35.3981 175.3055 66 A 4.6749 9.0197 123.9667 50.5498 23.1290 175.1232 67 V 4.4700 8.3034 120.4730 61.7327 33.1919 175.1349 68 L 4.6853 8.7036 128.5669 53.3695 43.3359 175.4867 69 E 4.8056 9.1214 125.3918 55.3698 30.7154 176.5386 70 K 4.1778 9.5014 127.2932 56.8019 33.1365 176.1540 71 T 4.5686 7.3234 116.7517 59.9105 71.2741 173.8993 72 D 4.4811 8.6889 119.3108 55.4055 41.3077 176.1040 73 E 4.5430 7.9473 120.7333 53.4593 31.0326 173.6987 74 P 4.2201 0.0000 0.0000 64.5159 31.7745 176.8019 75 G 3.9851 8.9236 110.5586 45.1346 0.0000 171.9031 76 K 4.7197 7.5600 121.8635 54.7259 34.3021 174.6401 77 Y 4.9225 8.8488 124.2683 56.3382 42.5504 174.3189 78 T 5.1300 8.6618 110.6349 60.2580 72.7793 172.4588 79 A 4.7392 8.9600 123.6308 50.1975 23.8713 175.2911 80 D 4.2696 9.3884 115.6942 55.8159 38.2206 174.8175 81 G 4.0088 8.7856 98.8201 46.6724 0.0000 174.5883 82 G 3.9278 8.0849 107.7906 45.0198 0.0000 175.2453 83 K 4.2430 7.8423 117.9769 57.1289 32.7345 175.4845 84 H 5.2566 7.9285 119.6459 54.1398 33.0810 172.0040 85 V 4.7285 8.6921 125.0400 60.8693 34.6314 173.8365 86 A 4.9696 8.7268 128.9411 50.2129 22.1541 174.2330 87 Y 5.1764 9.3184 119.7405 56.2710 41.1424 174.8032 88 I 4.8515 8.8162 125.5929 60.0259 38.6224 175.1765 89 I 4.7104 9.0578 128.5725 59.3065 39.9477 175.8294 90 R 4.5591 8.8494 125.3040 56.4092 30.8260 175.7496 91 S 4.8207 8.2208 115.7163 56.8476 64.6178 173.9652 92 H 4.3942 9.3802 121.5265 57.2944 28.5794 175.7976 93 V 4.0449 7.8269 121.2267 60.7202 32.0406 174.9089 94 K 3.7327 8.6724 127.8722 58.4653 32.4687 175.3280 95 D 4.6594 8.9416 122.8340 55.7631 38.3218 172.6192 96 H 5.5562 7.7629 113.5830 54.5006 32.4519 172.4278 97 Y 4.7773 8.6554 116.9706 56.6687 43.1820 173.8883 98 I 4.8902 8.9670 121.2866 59.6863 40.4386 174.8773 99 F 5.7139 9.2491 125.2461 55.9715 41.8891 173.6518 100 Y 5.4100 9.3295 125.0807 56.0147 41.4372 174.4973 101 S 4.9586 8.4448 121.3923 56.6696 67.6543 172.7216 102 E 4.8933 8.8119 122.2008 54.8570 33.0300 175.5872 103 G 4.1074 8.9755 110.4131 45.3825 0.0000 171.1081 104 E 5.6362 7.9695 117.3004 54.8764 33.7137 175.3021 *107 G 3.9502 8.4760 108.1985 45.0116 0.0000 173.5208 108 K 4.5458 7.4850 117.8779 53.6146 34.2076 173.9466 109 P 4.8108 0.0000 0.0000 63.1430 31.9735 176.4892 110 V 4.7956 8.5419 114.5058 60.0589 36.2643 174.3945 111 R 4.9251 8.1081 118.1342 55.4713 32.6873 173.6120 112 G 4.1558 8.0938 105.7694 46.1107 0.0000 172.2858 113 V 5.3393 8.4571 119.5635 60.9166 34.9036 174.4006 114 K 5.2624 9.5026 126.0026 54.6264 36.0659 174.7210 115 L 4.9669 8.9663 127.0782 53.9939 43.7679 175.6888 116 V 5.0441 8.6798 118.8031 59.9129 36.2258 174.5802 117 G 4.6364 9.1013 108.5322 45.2879 0.0000 174.0008 118 R 4.3531 8.6058 119.1650 58.2613 30.6636 177.4154 119 D 4.3790 7.9763 118.4924 52.9128 41.8867 174.3986 120 P 2.9700 0.0000 0.0000 64.4004 31.5694 176.8677 121 K 3.9645 7.7698 119.1662 55.5665 32.6466 176.0356 122 N 4.5967 8.4489 124.7037 52.7534 37.9242 174.1729 123 N 4.5691 8.6373 122.2214 52.8802 39.4043 175.3757 124 L 3.6461 7.5584 117.8244 55.7147 39.8254 174.8900 125 E 4.3751 8.1623 114.4976 56.5285 30.7092 176.1046 126 A 4.6376 7.5780 122.5430 52.1099 19.6145 178.5465 127 L 4.1604 7.8995 123.7359 59.3038 42.0748 178.0927 128 E 3.9541 8.2352 119.2444 59.5257 29.5436 178.4031 129 D 4.3689 8.1084 118.3294 57.1085 40.9231 178.1886 130 F 4.1677 7.9469 119.9492 61.5715 39.3492 177.0370 131 E 3.8323 8.6130 118.2931 59.1733 29.1726 179.3514 132 K 3.8324 8.1958 119.3509 59.4271 32.3661 178.6344 133 A 3.8260 8.1093 120.9724 55.0482 18.2092 179.4720 134 A 3.8491 7.7313 119.2723 55.2734 18.4581 180.2013 135 G 3.4203 8.1557 104.1410 47.7286 0.0000 175.7390 136 A 4.0844 8.0456 122.2085 53.9291 18.2643 178.3586 137 R 4.2235 6.9160 114.0336 55.8667 30.4801 176.4027 138 G 3.8579 8.0452 104.5911 46.5203 0.0000 174.4931 139 L 4.7519 7.9416 117.7754 54.0881 42.2216 178.9294 140 S 4.1638 8.1583 115.4028 60.4910 63.2039 174.6785 141 T 4.4187 7.6445 109.1587 61.2340 69.1993 174.5619 142 E 4.2228 7.6657 122.2150 56.3312 30.2422 176.8584 143 S 4.4795 8.2240 116.8635 58.7501 64.3071 172.9758 144 I 5.0105 8.2888 121.6768 59.2604 40.5526 174.1088 145 L 4.6514 8.9501 131.2539 53.5100 44.0806 174.9172 146 I 4.6778 8.1997 126.8385 58.7921 38.8779 173.8554 147 P 4.4567 0.0000 0.0000 62.5948 31.9441 176.7085 148 R 4.4902 8.5527 119.6126 56.6028 32.0943 176.3259 149 Q 4.6759 7.6079 112.8454 54.0333 31.8502 175.1500 150 S 4.3790 8.6309 113.6346 59.0469 62.9837 174.3958 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 12 D 8.36 4.77 0.00 2.90 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 13 V 8.24 4.17 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 0.21 0.00 0.00 0.85 0.00 0.00 14 S 8.06 4.55 0.00 4.15 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 15 G 7.45 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.45 4.67 4.07 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 0.85 0.00 0.00 17 W 9.08 4.94 0.00 3.34 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 18 Y 9.43 4.90 0.00 3.12 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 19 L 9.01 4.38 0.00 1.66 1.62 1.03 0.53 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 20 K 8.96 4.49 0.00 1.62 1.78 0.00 1.96 0.00 0.00 1.74 0.00 0.00 3.28 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.58 7.81 21 A 7.26 4.57 0.37 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 22 M 8.70 5.56 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 23 T 9.01 4.81 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 1.22 0.00 0.00 24 V 8.70 4.47 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 0.96 0.00 0.00 0.98 0.00 0.00 *32 N 8.53 4.31 0.00 2.74 2.76 0.00 0.00 6.98 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.62 4.05 0.00 1.92 1.78 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.13 4.12 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 35 S 7.88 4.62 0.00 4.00 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 36 V 7.12 3.69 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 0.74 0.00 0.00 0.97 0.00 0.00 37 T 8.05 4.82 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 38 P 0.00 4.66 0.00 1.56 0.76 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 39 M 8.78 4.93 0.00 2.21 1.95 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 2.50 2.59 0.00 40 T 8.93 5.08 4.22 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 1.24 0.00 0.00 41 L 9.01 5.22 0.00 1.78 1.59 0.71 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.65 4.97 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 1.21 0.00 0.00 43 T 8.63 4.44 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 44 L 8.78 4.80 0.00 1.66 1.55 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.58 4.15 0.00 1.96 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 2.32 2.32 0.00 46 G 8.97 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 47 G 7.98 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 48 N 7.87 4.85 0.00 2.68 2.86 0.00 0.00 6.90 6.74 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 49 L 8.66 5.18 0.00 1.28 1.33 0.17 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.17 4.88 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 51 A 8.95 5.12 1.14 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 52 K 9.02 5.08 0.00 1.77 1.58 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.38 7.81 53 V 8.74 4.88 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 0.73 0.00 0.00 0.92 0.00 0.00 54 T 8.42 4.94 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 1.21 0.00 0.00 55 M 8.92 4.50 0.00 1.89 1.77 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 *58 S 8.83 4.38 0.00 3.85 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 59 G 8.25 4.38 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 60 R 8.52 4.40 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 61 C 8.31 4.57 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 9.47 4.60 0.00 2.05 1.84 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 2.24 2.28 0.00 63 E 8.83 4.63 0.00 2.01 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 2.28 2.29 0.00 64 V 8.87 4.46 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 0.91 0.00 0.00 0.92 0.00 0.00 65 K 8.78 5.33 0.00 1.62 1.64 0.00 1.77 0.00 0.00 2.03 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.38 7.81 66 A 9.02 4.67 1.13 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 67 V 8.30 4.47 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 0.86 0.00 0.00 0.91 0.00 0.00 68 L 8.70 4.69 0.00 1.38 1.44 0.55 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.12 4.81 0.00 1.91 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 2.31 2.25 0.00 70 K 9.50 4.18 0.00 1.93 1.67 0.00 0.70 0.00 0.00 1.45 0.00 0.00 2.75 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.36 1.25 7.81 71 T 7.32 4.57 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 1.12 0.00 0.00 72 D 8.69 4.48 0.00 2.65 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 73 E 7.95 4.54 0.00 1.98 1.86 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 2.24 2.23 0.00 74 P 0.00 4.22 0.00 2.04 2.03 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 75 G 8.92 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 76 K 7.56 4.72 0.00 1.83 1.67 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.02 0.64 7.81 77 Y 8.85 4.92 0.00 2.77 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 78 T 8.66 5.13 4.20 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 1.12 0.00 0.00 79 A 8.96 4.74 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 80 D 9.39 4.27 0.00 2.80 2.65 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 81 G 8.79 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 82 G 8.08 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 83 K 7.84 4.24 0.00 1.86 1.84 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.50 7.81 84 H 7.93 5.26 0.00 3.16 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.69 4.73 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.85 0.00 0.00 86 A 8.73 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 9.32 5.18 0.00 3.15 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 88 I 8.82 4.85 1.89 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.40 0.55 0.00 0.00 89 I 9.06 4.71 2.10 0.00 0.00 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 1.29 1.02 0.95 0.00 0.00 90 R 8.85 4.56 0.00 1.75 1.88 0.00 3.26 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 91 S 8.22 4.82 0.00 3.82 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 0.00 92 H 9.38 4.39 0.00 3.16 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.83 4.04 1.92 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 0.85 0.00 0.00 0.89 0.00 0.00 94 K 8.67 3.73 0.00 1.76 1.76 0.00 1.98 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.52 7.81 95 D 8.94 4.66 0.00 2.94 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 96 H 7.76 5.56 0.00 3.07 3.17 0.00 5.80 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 97 Y 8.66 4.78 0.00 2.19 2.51 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 0.00 0.00 0.00 0.00 98 I 8.97 4.89 1.97 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 1.29 0.98 1.08 0.00 0.00 99 F 9.25 5.71 0.00 2.92 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 0.00 100 Y 9.33 5.41 0.00 3.08 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 0.00 101 S 8.44 4.96 0.00 3.66 3.45 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 0.00 102 E 8.81 4.89 0.00 1.83 1.77 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 2.12 1.84 0.00 103 G 8.98 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 0.00 0.00 0.00 104 E 7.97 5.64 0.00 1.91 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 2.21 2.26 0.00 *107 G 8.48 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 0.00 108 K 7.48 4.55 0.00 1.83 1.73 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.44 7.81 109 P 0.00 4.81 0.00 2.05 1.99 0.00 3.63 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 2.03 2.11 0.00 110 V 8.54 4.80 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 0.77 0.00 0.00 0.91 0.00 0.00 111 R 8.11 4.93 0.00 1.82 1.83 0.00 3.24 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 112 G 8.09 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 0.00 113 V 8.46 5.34 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 1.03 0.00 0.00 0.99 0.00 0.00 114 K 9.50 5.26 0.00 1.82 1.69 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 115 L 8.97 4.97 0.00 1.81 1.29 1.02 0.67 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 0.00 116 V 8.68 5.04 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 0.43 0.00 0.00 0.06 0.00 0.00 117 G 9.10 4.64 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 0.00 0.00 0.00 118 R 8.61 4.35 0.00 1.62 1.79 0.00 3.03 0.00 0.00 2.85 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.53 0.00 119 D 7.98 4.38 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 2.97 0.00 1.75 1.51 0.00 3.47 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.48 0.00 121 K 7.77 3.96 0.00 1.64 1.72 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.51 1.32 7.81 122 N 8.45 4.60 0.00 2.71 2.73 0.00 0.00 7.07 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 0.00 123 N 8.64 4.57 0.00 2.91 2.83 0.00 0.00 7.43 7.85 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 0.00 124 L 7.56 3.65 0.00 1.73 1.66 0.90 0.73 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 0.00 125 E 8.16 4.38 0.00 2.05 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 0.00 2.16 2.22 0.00 126 A 7.58 4.64 1.11 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 0.00 0.00 127 L 7.90 4.16 0.00 1.78 1.72 0.75 0.82 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 0.00 128 E 8.24 3.95 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 129 D 8.11 4.37 0.00 2.90 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 0.00 130 F 7.95 4.17 0.00 3.15 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.61 3.83 0.00 2.28 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 2.43 2.67 0.00 132 K 8.20 3.83 0.00 1.88 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 133 A 8.11 3.83 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 0.00 134 A 7.73 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.16 3.42 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 0.00 136 A 8.05 4.08 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 0.00 137 R 6.92 4.22 0.00 1.57 1.50 0.00 2.47 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.24 0.00 138 G 8.05 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 0.00 0.00 0.00 139 L 7.94 4.75 0.00 1.73 1.60 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.16 4.16 0.00 3.94 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 0.00 141 T 7.64 4.42 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 1.21 0.00 0.00 142 E 7.67 4.22 0.00 1.96 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 0.00 2.36 2.45 0.00 143 S 8.22 4.48 0.00 3.83 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 0.00 144 I 8.29 5.01 2.16 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 1.24 0.84 1.08 0.00 0.00 145 L 8.95 4.65 0.00 1.81 1.53 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.20 4.68 1.85 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 1.25 0.71 0.92 0.00 0.00 147 P 0.00 4.46 0.00 2.06 2.00 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 148 R 8.55 4.49 0.00 1.77 1.94 0.00 3.15 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 149 Q 7.61 4.68 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.10 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 150 S 8.63 4.38 0.00 3.97 4.05 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 * Residues marked with a * may have inaccurate shift predictions.