NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4002 8.3349 115.2950 58.0381 63.5798 172.6814 4 K 4.0693 8.2989 118.5781 54.4179 32.8907 174.3155 5 H 4.8964 8.4535 116.8484 54.5362 32.4860 171.9987 6 S 4.6959 8.1866 113.4638 57.0334 66.3938 173.5497 7 Y 4.5138 8.8277 121.1972 57.3372 38.0309 175.6086 8 V 4.2757 8.8042 126.1786 62.1401 32.8741 175.0334 9 E 3.3495 8.5074 127.0340 55.4530 30.4313 176.0438 10 L 4.1952 8.0863 130.0302 53.5543 41.4036 176.3219 11 K 4.2169 8.0317 125.9735 55.4834 33.2855 178.2330 12 D 4.3476 8.3776 119.3109 56.9385 40.8960 179.0772 13 K 3.9312 7.8669 117.4463 59.6233 32.4807 178.0107 14 V 3.4580 7.1609 110.9281 62.1963 31.5640 175.2410 15 I 4.5071 7.8659 122.2941 59.2962 38.3598 175.0810 16 V 4.3810 9.4636 126.4653 60.0192 33.0701 173.0881 17 P 4.3374 0.0000 0.0000 63.8687 31.6052 176.5105 18 G 3.9760 9.0578 110.5696 44.7563 0.0000 173.2807 19 W 4.8600 7.4401 119.0285 53.8587 31.7766 174.2040 20 P 4.6911 0.0000 0.0000 63.5719 32.4268 174.8711 21 T 5.2235 9.0476 116.1663 62.1594 73.1991 173.4713 22 L 5.2554 8.4440 123.1172 52.1939 45.6772 174.8362 *24 L 4.3808 8.2246 120.5502 55.7571 43.3400 175.6249 25 E 5.2410 9.3185 127.0346 54.8078 31.9785 175.3194 26 I 5.0282 9.2980 124.9052 59.5980 41.0275 174.1339 27 D 4.9990 9.1774 126.4172 53.9655 43.4838 174.8663 28 F 5.1313 9.6081 120.9040 57.5321 38.4100 177.4571 29 V 4.0538 8.7893 123.1645 63.9670 33.5803 177.5737 30 G 3.9998 7.8272 111.7707 44.8689 0.0000 171.8596 31 G 3.5078 8.2624 110.4857 45.5703 0.0000 177.2908 32 T 3.9981 8.8475 118.7898 62.2675 66.9409 173.5923 33 S 3.7423 8.3230 121.6914 59.4174 61.9043 173.1118 34 R 4.1587 7.4438 118.7701 58.7286 30.5289 175.1456 35 N 4.6795 7.6957 118.5559 51.9582 40.7995 173.5674 36 Q 4.1513 8.8345 114.3481 56.8228 29.7836 176.2519 37 F 5.7490 8.0159 116.3808 56.2446 41.5013 173.1616 38 L 5.0148 9.7033 118.5298 53.3510 46.2425 175.2257 39 N 5.5532 9.1444 119.8945 51.6219 41.2199 173.8967 40 I 4.6739 8.9514 124.7918 58.6042 40.4137 173.8409 41 P 4.3225 0.0000 0.0000 63.2260 31.6508 175.3417 42 F 4.6856 9.0941 126.1852 59.6769 40.5478 175.7448 43 L 4.4443 7.6048 118.5888 53.8182 45.7239 173.9786 44 S 4.9764 8.5378 121.6542 58.1436 64.1750 173.7527 45 V 4.8183 8.5489 116.8318 59.8532 34.9627 176.1482 46 K 4.5098 9.2829 122.4459 59.1004 32.3467 177.2728 47 E 4.9312 7.9516 117.4167 53.5490 31.9538 174.2717 48 P 4.5150 0.0000 0.0000 62.3651 32.3028 175.8365 49 L 4.2117 8.7230 123.1475 55.1787 42.6080 177.5545 50 Q 4.5498 8.0998 125.5777 54.5330 29.8221 173.6632 51 L 4.3177 7.9957 122.2215 53.2751 42.6868 175.4089 52 P 4.3635 0.0000 0.0000 62.7395 31.0823 175.9705 53 R 3.5697 8.0168 116.3602 60.0765 29.8552 177.8109 54 E 3.6552 7.7197 120.0538 59.1594 30.4883 177.0652 55 K 4.0245 7.1334 119.1935 55.5590 33.6922 175.9843 56 K 4.6223 8.4990 121.4953 54.1899 34.7292 177.3319 57 L 4.0992 8.4304 122.7783 58.7984 41.7338 179.5253 58 T 4.0495 7.7587 114.0804 66.2908 68.3701 175.5873 59 D 4.3496 7.8261 120.3850 56.3464 41.0173 176.4258 60 Y 5.1483 7.7861 114.7314 56.8348 40.7786 175.2045 61 F 5.7654 8.7533 121.8483 56.7113 42.0544 174.6544 62 T 5.2486 8.7490 121.7986 60.6061 72.1068 172.9972 63 I 4.7390 8.0088 118.4923 59.0293 41.2498 174.5800 64 D 4.4841 8.4143 122.6334 52.8410 44.3307 174.2450 65 V 4.4614 8.5130 127.0434 62.3945 32.3852 174.9090 66 E 4.3936 9.2216 127.7913 53.4027 33.4421 173.7727 67 P 4.5735 0.0000 0.0000 62.6835 32.1711 175.8889 68 A 4.5673 8.8918 123.2215 50.9834 20.2228 176.3147 69 G 3.8833 7.1196 102.7219 46.6031 0.0000 172.9503 70 H 4.5795 8.8297 115.7327 57.1830 28.9891 176.0497 71 S 4.6561 7.7445 109.9460 57.8597 66.4252 173.9141 72 L 4.7613 7.7282 120.5825 52.6886 43.8356 175.7457 73 V 4.8858 8.2221 120.1849 61.3142 35.3951 173.7480 74 N 5.5192 9.3134 122.1254 51.4552 42.8349 173.3007 75 I 4.4918 8.0891 122.0790 59.7952 39.8680 174.3822 76 Y 4.6155 8.6686 125.2911 56.6618 39.8507 174.7882 77 F 5.4040 8.9242 120.3814 55.7773 43.5565 174.0584 78 Q 4.7502 8.9495 122.2924 54.7618 31.7477 173.5965 79 I 5.0322 8.6849 128.3266 59.6005 38.5907 175.9859 80 D 4.5894 9.2853 127.3135 54.2328 41.8460 177.0979 81 D 4.4192 9.1572 122.0625 57.8156 40.7681 179.1472 82 F 3.8711 8.3179 120.1393 61.4831 39.2255 176.8753 83 L 3.6799 7.7922 119.1597 57.6450 41.9509 178.3541 84 L 3.8902 8.4016 120.8218 58.0765 41.8136 179.0188 85 L 3.8605 7.8750 117.8943 58.2565 41.8342 179.0831 86 T 3.6583 7.5862 115.6053 66.7137 68.2447 176.2315 87 L 3.8869 8.2015 120.5932 58.2748 41.7469 179.6862 88 N 4.2505 8.2284 116.1966 55.9992 38.1623 177.3090 89 S 4.1313 7.6762 114.6854 60.4771 63.6561 175.9337 90 L 4.1327 7.6011 122.1504 55.6860 41.8147 176.8389 91 S 4.3190 7.5606 112.8044 58.9274 62.7632 174.4583 92 V 3.2140 8.0968 127.2563 65.3966 31.4769 176.0208 93 Y 4.0314 7.4663 119.2912 56.0340 39.3957 174.2708 94 K 3.3757 8.0000 127.0919 58.7232 32.2681 178.2113 95 D 4.9738 7.8524 122.5522 56.7612 36.4697 172.8214 96 P 4.5847 0.0000 0.0000 63.6367 32.7119 177.6159 97 I 3.9270 7.6466 120.0948 61.0503 37.6245 174.9180 98 R 4.7482 8.0554 122.0233 53.8981 34.2121 175.2386 99 K 4.1780 8.5679 118.9898 59.0994 33.4010 176.1726 100 Y 5.6130 7.9576 116.9745 54.9078 41.0918 175.1308 *102 F 5.7136 8.7746 117.9862 56.9729 39.9649 173.6546 103 L 4.8916 8.2557 119.0052 54.0731 44.0266 175.3925 104 R 4.9166 8.5393 119.7342 55.1958 31.1127 175.9696 105 L 4.9087 8.5160 123.2998 53.4166 43.9200 176.1664 106 N 4.7854 8.8848 119.2525 51.3795 39.2756 176.2648 107 K 3.8144 8.7931 117.5717 59.8364 31.6961 178.8422 108 E 3.8958 8.0939 117.0897 59.5899 29.4796 178.4517 109 Q 4.2170 9.5000 119.1402 59.0428 28.3941 178.9038 110 S 4.1949 8.5969 116.7641 61.4618 62.8298 176.5439 111 K 3.9135 7.7992 122.3963 59.7351 31.5523 178.6412 112 H 4.6467 7.7328 116.2492 58.0211 28.9123 177.2634 113 A 3.2658 7.7588 122.0102 55.0385 18.3778 179.4523 114 I 3.0821 8.0552 118.5964 64.4856 37.0114 178.0821 115 N 4.4387 7.9684 114.5302 54.4722 38.5447 175.5088 116 A 4.3647 7.1785 122.7193 50.6507 19.4339 176.2330 117 A 2.7896 7.9098 118.4197 53.8851 16.6370 178.2601 118 F 3.9791 7.3207 113.0786 59.8502 36.9726 175.4342 119 N 4.7191 8.1529 120.7999 52.3452 37.8849 174.2085 120 V 4.0240 8.3626 126.4289 62.5725 32.2136 175.1477 121 F 4.7644 8.9882 130.8550 60.3462 39.6466 175.4964 122 S 4.6458 7.8608 111.4654 57.2675 66.9911 171.5843 123 Y 5.4880 7.7227 116.7302 56.3465 41.0855 173.4350 124 R 5.1203 9.3057 117.7980 55.2375 34.0740 173.3067 125 L 4.9349 8.4189 118.3727 53.0860 43.7672 176.2596 126 R 4.6445 8.4961 124.3549 54.5649 32.8703 174.4168 127 N 4.9794 8.6678 122.4588 52.7355 39.7935 174.3714 128 I 4.4373 9.0451 125.2255 59.2131 39.9192 176.1942 129 G 4.2127 8.7768 114.8877 46.0688 0.0000 172.5348 130 V 4.3563 8.1782 119.2078 60.2239 33.4840 176.3861 131 G 3.9587 8.3822 111.3871 43.6268 0.0000 172.7208 132 P 4.1354 0.0000 0.0000 65.1225 31.0876 177.0979 133 L 4.5187 7.7972 116.2857 54.0812 42.4078 177.8319 134 G 3.8114 8.0141 107.4158 47.9948 0.0000 174.1104 135 P 4.0293 0.0000 0.0000 65.1667 31.3357 177.9613 136 D 4.2559 7.9360 117.2812 56.8677 40.9572 178.1120 137 I 3.6657 8.0282 120.2257 64.4184 37.2610 178.4114 138 R 4.1149 7.5227 115.1504 58.8069 29.3791 178.3003 139 S 4.4521 7.5977 114.0716 59.6555 63.7677 174.2151 140 S 4.4738 7.9386 117.3187 58.0557 63.2000 174.4451 141 G 3.9023 7.9162 110.7351 45.8179 0.0000 172.3373 142 P 4.4081 0.0000 0.0000 62.9843 31.4449 176.1787 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 3 S 8.33 4.40 0.00 3.86 3.90 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 4 K 8.30 4.07 0.00 1.82 1.62 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.38 7.81 5 H 8.45 4.90 0.00 3.01 3.14 0.00 5.47 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.19 4.70 0.00 3.89 3.85 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 7 Y 8.83 4.51 0.00 3.28 3.51 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 8 V 8.80 4.28 2.16 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 0.72 0.00 0.00 1.03 0.00 0.00 9 E 8.51 3.35 0.00 1.18 1.60 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 2.02 1.80 0.00 10 L 8.09 4.20 0.00 1.50 1.41 0.63 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.03 4.22 0.00 1.66 1.59 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.32 7.81 12 D 8.38 4.35 0.00 2.64 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 13 K 7.87 3.93 0.00 1.53 1.79 0.00 1.18 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.10 0.73 7.81 14 V 7.16 3.46 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 0.44 0.00 0.00 0.77 0.00 0.00 15 I 7.87 4.51 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.80 0.93 0.00 0.00 16 V 9.46 4.38 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 1.25 0.00 0.00 0.92 0.00 0.00 17 P 0.00 4.34 0.00 2.13 2.01 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 18 G 9.06 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 19 W 7.44 4.86 0.00 3.14 3.34 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 20 P 0.00 4.69 0.00 2.18 2.25 0.00 4.13 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.13 0.00 21 T 9.05 5.22 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 1.33 0.00 0.00 22 L 8.44 5.26 0.00 1.71 1.68 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *24 L 8.22 4.38 0.00 1.67 1.89 1.14 1.14 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 25 E 9.32 5.24 0.00 1.95 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 2.38 2.30 0.00 26 I 9.30 5.03 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.31 0.00 0.00 27 D 9.18 5.00 0.00 2.73 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 28 F 9.61 5.13 0.00 3.23 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 29 V 8.79 4.05 2.15 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 0.74 0.00 0.00 0.95 0.00 0.00 30 G 7.83 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 0.00 0.00 0.00 31 G 8.26 3.51 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 0.00 0.00 0.00 32 T 8.85 4.00 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 1.23 0.00 0.00 33 S 8.32 3.74 0.00 3.76 3.88 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 34 R 7.44 4.16 0.00 1.82 1.89 0.00 3.33 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 35 N 7.70 4.68 0.00 2.67 2.53 0.00 0.00 6.94 7.08 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 36 Q 8.83 4.15 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.44 0.00 0.00 0.00 0.00 0.00 2.43 2.20 0.00 37 F 8.02 5.75 0.00 3.22 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 38 L 9.70 5.01 0.00 1.76 1.72 1.14 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.14 5.55 0.00 2.73 2.82 0.00 0.00 6.79 7.45 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 40 I 8.95 4.67 2.05 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 1.36 0.76 1.06 0.00 0.00 41 P 0.00 4.32 0.00 2.08 2.06 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 42 F 9.09 4.69 0.00 3.08 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 43 L 7.60 4.44 0.00 1.50 1.48 0.70 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.54 4.98 0.00 3.90 3.76 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 45 V 8.55 4.82 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 0.68 0.00 0.00 1.02 0.00 0.00 46 K 9.28 4.51 0.00 1.59 1.96 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.54 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.10 1.22 7.81 47 E 7.95 4.93 0.00 1.82 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 2.23 2.22 0.00 48 P 0.00 4.52 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 49 L 8.72 4.21 0.00 1.57 1.58 0.86 0.76 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 50 Q 8.10 4.55 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 51 L 8.00 4.32 0.00 1.76 1.76 1.12 1.23 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 52 P 0.00 4.36 0.00 2.03 1.99 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.21 0.00 53 R 8.02 3.57 0.00 1.79 1.89 0.00 3.24 0.00 0.00 3.15 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 54 E 7.72 3.66 0.00 1.87 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 2.26 2.37 0.00 55 K 7.13 4.02 0.00 1.88 1.63 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.42 1.49 7.81 56 K 8.50 4.62 0.00 1.64 1.58 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.38 7.81 57 L 8.43 4.10 0.00 1.78 1.64 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.76 4.05 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 1.15 0.00 0.00 59 D 7.83 4.35 0.00 1.93 2.17 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 60 Y 7.79 5.15 0.00 3.03 3.03 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 61 F 8.75 5.77 0.00 3.04 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 62 T 8.75 5.25 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 1.23 0.00 0.00 63 I 8.01 4.74 1.32 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 -0.21 0.16 0.19 0.00 0.00 64 D 8.41 4.48 0.00 2.62 2.44 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 0.00 0.00 0.00 0.00 65 V 8.51 4.46 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 1.14 0.00 0.00 1.09 0.00 0.00 66 E 9.22 4.39 0.00 1.94 1.59 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 2.37 2.06 0.00 67 P 0.00 4.57 0.00 1.99 1.92 0.00 3.11 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 1.73 1.67 0.00 68 A 8.89 4.57 1.19 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 0.00 0.00 0.00 0.00 0.00 69 G 7.12 3.88 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 0.00 0.00 0.00 70 H 8.83 4.58 0.00 3.18 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.74 4.66 0.00 3.92 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 72 L 7.73 4.76 0.00 1.62 1.62 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.22 4.89 2.16 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 1.14 0.00 0.00 1.12 0.00 0.00 74 N 9.31 5.52 0.00 2.34 2.18 0.00 0.00 7.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.09 4.49 1.69 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.06 0.35 0.00 0.00 76 Y 8.67 4.62 0.00 2.68 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 77 F 8.92 5.40 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.95 4.75 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 79 I 8.68 5.03 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.00 1.05 0.00 0.00 80 D 9.29 4.59 0.00 2.98 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 81 D 9.16 4.42 0.00 2.82 2.78 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 0.00 0.00 0.00 82 F 8.32 3.87 0.00 3.05 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.79 3.68 0.00 1.77 1.78 0.81 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.40 3.89 0.00 1.75 1.78 0.87 0.59 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 85 L 7.87 3.86 0.00 1.54 1.53 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.59 3.66 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 1.03 0.00 0.00 87 L 8.20 3.89 0.00 1.59 1.69 0.90 0.55 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 88 N 8.23 4.25 0.00 2.75 2.99 0.00 0.00 6.82 7.11 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 89 S 7.68 4.13 0.00 3.96 3.89 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 90 L 7.60 4.13 0.00 1.65 1.70 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.56 4.32 0.00 3.87 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 92 V 8.10 3.21 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 93 Y 7.47 4.03 0.00 2.82 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 94 K 8.00 3.38 0.00 1.34 1.28 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.39 7.81 95 D 7.85 4.97 0.00 2.73 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.58 0.00 2.10 2.38 0.00 3.87 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 1.87 1.98 0.00 97 I 7.65 3.93 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.43 0.91 0.00 0.00 98 R 8.06 4.75 0.00 1.78 1.85 0.00 3.39 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 99 K 8.57 4.18 0.00 1.70 1.59 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.64 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 1.29 7.81 100 Y 7.96 5.61 0.00 2.80 1.59 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 *102 F 8.77 5.71 0.00 2.52 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 0.00 103 L 8.26 4.89 0.00 1.75 1.82 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.54 4.92 0.00 1.77 1.96 0.00 3.31 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.68 0.00 105 L 8.52 4.91 0.00 1.71 1.64 1.03 1.03 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 0.00 106 N 8.88 4.79 0.00 2.98 2.98 0.00 0.00 7.19 7.06 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 0.00 107 K 8.79 3.81 0.00 1.78 1.93 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.48 7.81 108 E 8.09 3.90 0.00 1.94 2.17 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 2.31 2.48 0.00 109 Q 9.50 4.22 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 110 S 8.60 4.19 0.00 4.01 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 0.00 111 K 7.80 3.91 0.00 1.66 1.60 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.41 7.81 112 H 7.73 4.65 0.00 3.26 3.21 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.76 3.27 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 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.06 3.08 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.09 0.80 0.00 0.00 115 N 7.97 4.44 0.00 2.56 2.75 0.00 0.00 6.85 6.88 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 0.00 116 A 7.18 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.91 2.79 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.32 3.98 0.00 3.30 3.37 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 0.00 119 N 8.15 4.72 0.00 2.92 2.88 0.00 0.00 6.88 7.87 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 0.00 120 V 8.36 4.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.87 0.00 0.00 121 F 8.99 4.76 0.00 3.29 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 0.00 122 S 7.86 4.65 0.00 3.65 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 7.72 5.49 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 9.31 5.12 0.00 1.83 2.01 0.00 2.70 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 125 L 8.42 4.93 0.00 1.40 1.50 0.34 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.50 4.64 0.00 1.88 1.77 0.00 3.18 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 127 N 8.67 4.98 0.00 2.66 2.76 0.00 0.00 6.80 7.45 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 0.00 128 I 9.05 4.44 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.94 0.00 0.00 129 G 8.78 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 0.00 0.00 0.00 0.00 130 V 8.18 4.36 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 0.67 0.00 0.00 0.91 0.00 0.00 131 G 8.38 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 0.00 132 P 0.00 4.14 0.00 2.17 2.21 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 133 L 7.80 4.52 0.00 1.68 1.66 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.01 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 0.00 135 P 0.00 4.03 0.00 2.16 2.17 0.00 3.54 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 136 D 7.94 4.26 0.00 2.69 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 0.00 137 I 8.03 3.67 1.98 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 1.56 0.81 0.91 0.00 0.00 138 R 7.52 4.11 0.00 1.95 1.90 0.00 2.21 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 139 S 7.60 4.45 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 0.00 140 S 7.94 4.47 0.00 4.01 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 0.00 141 G 7.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.41 0.00 2.20 2.06 0.00 3.82 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 2.00 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.