NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.3783 8.3027 120.2313 55.9564 31.5192 176.9280 16 R 4.1556 8.4432 121.4951 58.8119 30.1111 174.7009 17 E 4.7538 8.2857 116.0712 56.0485 31.2561 175.9100 18 G 4.2313 7.7061 104.5593 42.9078 0.0000 174.0683 19 I 3.6602 8.3685 124.2473 65.1503 37.0285 177.1125 20 L 4.0115 8.2350 120.3903 57.8356 41.6952 178.2213 21 F 4.5322 8.2681 119.0513 62.2697 39.7388 177.1896 22 T 3.5994 8.3117 115.2135 67.4039 68.0805 176.4689 23 T 3.9499 8.2232 117.9925 66.5532 68.6908 175.8960 24 L 4.1287 7.6992 123.7550 57.5391 42.1180 178.3529 25 E 3.9406 8.4616 117.9563 59.3125 29.3514 179.3226 26 K 3.9387 7.9264 119.6540 59.4089 31.9972 179.1572 27 L 3.9824 8.1572 119.3272 57.7848 41.6303 179.2397 28 V 3.6205 7.9787 117.5111 66.1991 31.2788 177.4622 29 A 4.0455 8.3440 120.3788 55.2209 18.1120 179.3929 30 W 4.1757 8.1913 125.0282 60.5637 30.9172 177.4643 31 G 3.9233 8.5159 106.9303 47.1607 0.0000 175.2536 32 R 4.7087 8.3420 120.2722 56.2302 29.5980 178.4040 33 S 3.8973 7.8169 114.6279 61.5052 62.6170 174.9447 34 N 4.6512 7.8088 115.5619 53.0099 39.1998 175.4821 35 S 4.7620 7.6062 116.0752 57.7169 63.8244 173.9116 36 L 4.6062 7.8509 121.2554 55.0200 41.7525 176.7001 37 W 4.9554 9.5663 135.0000 54.7820 31.8447 172.1692 38 P 4.6332 0.0000 0.0000 62.1104 30.9912 177.0585 39 A 4.5594 8.5273 128.0272 49.4212 18.1090 174.7070 40 T 4.0282 7.8765 114.4971 61.7325 68.0241 173.7871 41 F 5.0278 8.9547 128.8628 56.9608 38.5732 174.4740 42 G 3.4500 7.9070 106.9903 47.2626 0.0000 171.1192 43 L 4.4336 8.9207 119.6387 53.1842 43.6087 180.2298 44 A 4.7914 7.7066 126.6866 52.7830 20.4754 179.3332 45 C 3.6860 8.5932 107.1490 62.5415 30.3864 176.7413 46 C 4.1436 8.2211 117.8201 62.4280 27.4535 175.4460 47 A 4.0126 8.7183 122.8826 55.2837 17.6032 179.6248 48 I 3.7882 7.3200 117.5937 64.0477 37.2679 177.7652 49 E 4.0816 8.0856 119.8225 59.0176 29.4982 178.0890 50 M 4.2128 7.8075 119.3449 57.5407 32.1229 177.4442 51 M 4.3961 7.5977 114.8594 55.9899 31.9112 176.9366 52 A 4.6880 7.4018 119.7211 51.8329 19.7862 177.2061 53 S 4.5988 8.6334 112.8411 59.1035 65.1539 176.5860 54 T 4.1279 7.8274 116.2506 65.7073 68.7554 175.6880 55 D 4.4515 8.2261 120.4894 56.5197 41.0408 177.0366 56 A 4.4821 7.6135 120.6493 51.6548 19.5828 176.5875 *74 Q 4.0219 8.0583 121.2377 57.3686 29.1306 173.5864 75 A 5.0708 8.5298 127.8286 50.0942 21.6532 174.6682 76 D 4.8199 8.3033 121.4970 52.5372 41.5591 173.6784 77 V 4.2589 8.9926 125.2890 64.1649 29.3455 169.0243 78 M 5.0209 8.2976 123.6661 53.4442 34.0973 174.7205 79 I 4.7164 7.9239 122.2883 59.7943 39.7580 174.7976 80 V 4.4977 9.0820 128.4325 61.7604 32.7132 174.6590 81 A 4.6986 9.0897 131.7815 53.7584 20.3407 175.0037 82 G 4.0658 8.5694 108.1089 44.3129 0.0000 171.1215 83 R 4.0312 8.2595 118.1790 56.0415 30.2447 176.4450 84 L 4.2820 8.5353 127.7515 54.0565 42.8724 176.0479 85 S 4.5007 8.5427 121.5991 58.0476 63.2987 175.1371 86 K 4.0322 8.4976 123.7872 59.0242 31.8308 179.5083 87 K 4.0857 7.6876 119.1902 59.2704 32.3220 177.9193 88 M 4.2477 7.8486 116.5092 56.6001 32.2577 177.5703 89 A 4.0357 7.5671 121.7384 55.2588 18.5179 177.8061 90 P 4.1962 0.0000 0.0000 65.7942 31.2064 178.7667 91 V 3.6014 7.7488 117.6997 66.2714 31.6554 177.4878 92 M 3.6494 7.9031 117.9686 58.2932 31.8390 178.0373 93 R 3.8659 7.7019 119.0941 59.4939 30.3155 178.3570 94 R 4.1487 7.6417 119.0920 58.8356 29.9540 178.9100 95 V 3.5686 7.4466 116.3022 66.0004 31.4161 177.7160 96 W 4.1083 8.0508 126.6589 61.0479 30.5539 177.1322 97 E 3.6955 8.9166 118.0808 59.4265 29.3711 177.3842 98 Q 4.1168 7.8515 125.8734 56.4561 27.2321 175.5260 99 M 4.3313 7.6946 118.5338 53.2789 35.0373 172.6132 100 P 4.2738 0.0000 0.0000 63.1906 31.7605 175.7510 101 D 4.1243 8.3981 118.5963 56.2475 41.4678 174.7867 102 P 4.0615 0.0000 0.0000 61.9851 31.0436 175.2662 103 K 4.4559 6.8875 121.2637 55.1197 35.9505 175.4536 104 W 5.7974 8.7721 119.2137 54.1397 33.8797 174.0435 105 V 4.8789 8.7777 123.0546 61.3336 33.6627 174.0217 106 I 4.6771 8.7023 128.9885 59.9126 39.6125 174.8111 107 S 4.8760 8.9750 122.3284 56.9106 63.5034 171.9186 108 M 4.4871 8.9486 128.1956 55.6021 33.2446 177.1664 109 G 4.1444 9.2360 115.1193 44.1337 0.0000 173.1600 110 A 4.2903 8.3473 119.4365 54.6415 19.1368 179.8604 111 C 4.3395 8.1343 112.3253 62.3506 28.8937 174.8921 112 A 4.3404 8.1096 122.2406 54.7442 18.9053 179.5349 113 S 4.5340 7.6455 109.7065 61.5991 63.0897 174.0896 114 S 4.6025 7.8163 111.8412 57.2722 65.4983 173.9352 115 G 4.2313 8.3129 107.6050 46.1021 0.0000 174.7018 116 G 3.7218 7.4126 108.4853 47.3161 0.0000 174.9556 117 M 4.1722 8.4863 121.5929 55.4135 31.7158 177.3036 118 F 4.7626 7.5107 120.0454 56.3186 37.8943 174.8622 119 N 4.7751 7.9157 121.8295 51.4790 37.8552 173.5767 120 N 5.0013 7.7321 118.4151 51.7776 40.0984 174.1173 121 Y 4.2042 9.4210 114.8641 60.6223 38.5889 177.6911 122 A 3.4838 5.8000 124.2702 53.3825 18.5178 176.9919 123 I 4.9320 7.1508 115.4200 58.9781 39.8765 176.1857 124 V 3.4847 8.1598 126.9891 63.8529 32.0454 176.5574 125 Q 4.3326 8.7479 127.9739 54.2500 28.3129 172.0617 126 N 4.6924 8.6312 120.1256 53.6510 39.0260 175.0659 127 V 3.6500 8.8432 126.8029 65.8935 31.7810 177.3980 128 D 4.8960 8.6455 118.4428 56.4220 41.0354 177.7056 129 S 4.2701 8.2016 114.7203 60.6927 63.0733 175.3452 130 V 4.1746 8.2958 111.8851 61.8384 33.9655 176.5505 131 V 3.6644 6.9943 111.3049 58.0208 34.8298 173.1063 132 P 4.3240 0.0000 0.0000 62.9071 31.5092 176.0211 133 V 4.1886 7.9369 123.6023 61.8122 32.9600 174.9825 134 D 4.8810 8.8162 125.0024 55.1209 43.5234 176.6422 135 V 4.6664 7.3275 117.5171 61.5847 35.1083 172.9075 136 Y 5.2335 8.7732 125.2894 56.2802 40.2241 175.5818 137 V 4.5150 8.9934 123.7159 59.0527 33.6126 173.4318 138 P 4.6445 0.0000 0.0000 62.8895 32.4719 175.0349 139 G 4.3270 7.9341 105.6693 44.0850 0.0000 172.9777 140 C 4.7586 7.8425 120.9405 57.5112 32.2676 171.2975 141 P 4.6397 0.0000 0.0000 60.3736 32.5117 175.3418 142 P 4.3677 0.0000 0.0000 62.3219 32.1307 176.2456 143 R 3.9962 8.5096 120.5693 56.2378 30.3919 175.2151 144 P 4.2632 0.0000 0.0000 66.1480 31.2939 178.7607 145 E 4.1169 8.1795 115.4560 58.2834 29.3049 179.0688 146 A 3.9681 8.0137 121.7867 55.1766 18.1394 179.3161 147 L 3.9187 7.6347 117.6995 57.9121 41.8886 179.4039 148 I 3.7802 7.5556 119.4868 64.7296 37.2709 177.3552 149 Y 4.1192 7.8960 119.8439 60.4779 38.5911 177.8607 150 A 3.9317 8.3068 122.2463 55.2189 18.5070 179.9524 151 V 3.5965 7.4675 110.0006 64.4402 31.6351 178.5660 152 M 3.9292 8.1841 118.6571 58.2894 31.5483 178.6873 153 Q 3.7153 7.9336 119.6985 58.8381 29.4855 177.6447 154 L 3.8931 7.5521 120.8270 57.9174 41.9175 178.7180 155 Q 3.6940 7.8052 118.4678 58.5827 28.7598 178.1972 156 K 3.7212 7.6274 119.4195 58.7066 32.2091 178.8664 157 K 3.9398 7.3964 119.8075 58.8695 32.3329 178.7628 158 V 3.9969 7.1782 110.3933 63.6599 31.5305 178.2248 159 R 4.0786 7.8150 116.9448 56.3167 30.2710 176.2983 160 G 3.7777 7.8997 106.5931 47.2372 0.0000 173.9145 161 Q 4.2746 8.2761 116.1029 54.7613 30.3849 174.0078 162 A 4.6171 7.4537 119.1887 50.4620 21.2857 175.6441 163 Y 5.4619 8.4484 118.0416 55.0411 41.5236 175.2038 164 N 4.8492 8.4360 119.4411 51.5929 39.0893 175.8552 165 E 4.0180 8.5848 117.0409 58.9305 29.5030 178.3704 166 R 4.1430 8.1112 115.9293 56.3036 30.4565 177.0971 167 G 3.8064 8.4048 106.6312 45.6504 0.0000 173.5776 168 E 4.4573 8.6154 120.0292 55.0952 30.9245 174.7545 169 R 4.9046 8.3894 120.5282 55.2146 31.2158 175.5203 170 L 4.5670 8.4650 127.3572 53.1153 43.0589 175.0928 171 P 4.3712 0.0000 0.0000 62.4864 31.6466 175.7632 172 P 4.6684 0.0000 0.0000 64.8651 31.6648 176.6921 173 V 4.3441 7.2679 116.0770 60.8515 34.4044 174.9460 174 A 4.1534 8.4885 130.0009 52.2937 16.6472 177.4059 175 A 4.1221 8.1523 122.9016 53.7209 19.1784 176.5455 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 E 8.30 4.38 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 16 R 8.44 4.16 0.00 1.94 2.06 0.00 3.58 0.00 0.00 3.66 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 17 E 8.29 4.75 0.00 2.00 1.93 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 2.26 2.24 0.00 18 G 7.71 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 0.00 0.00 0.00 0.00 19 I 8.37 3.66 1.89 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 1.53 0.69 0.92 0.00 0.00 20 L 8.24 4.01 0.00 1.73 1.62 0.96 0.91 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 21 F 8.27 4.53 0.00 3.06 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 22 T 8.31 3.60 4.42 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 1.17 0.00 0.00 23 T 8.22 3.95 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 1.19 0.00 0.00 24 L 7.70 4.13 0.00 2.03 1.83 0.97 0.97 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 25 E 8.46 3.94 0.00 2.15 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 2.04 2.20 0.00 26 K 7.93 3.94 0.00 2.05 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.68 7.81 27 L 8.16 3.98 0.00 1.96 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.98 3.62 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 1.19 0.00 0.00 1.04 0.00 0.00 29 A 8.34 4.05 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.19 4.18 0.00 3.64 3.30 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 31 G 8.52 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 0.00 0.00 0.00 32 R 8.34 4.71 0.00 2.10 2.18 0.00 3.19 0.00 0.00 3.20 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.63 0.00 33 S 7.82 3.90 0.00 3.63 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 34 N 7.81 4.65 0.00 2.71 2.80 0.00 0.00 7.04 7.24 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 35 S 7.61 4.76 0.00 3.99 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 36 L 7.85 4.61 0.00 1.60 1.60 0.63 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 W 9.57 4.96 0.00 3.29 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.63 0.00 1.71 1.87 0.00 3.11 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 1.87 2.01 0.00 39 A 8.53 4.56 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 40 T 7.88 4.03 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 1.14 0.00 0.00 41 F 8.95 5.03 0.00 3.04 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 42 G 7.91 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 0.00 0.00 0.00 43 L 8.92 4.43 0.00 1.54 1.38 0.93 0.14 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 A 7.71 4.79 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 45 C 8.59 3.69 0.00 3.14 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 46 C 8.22 4.14 0.00 3.05 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 47 A 8.72 4.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.32 3.79 2.00 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 1.39 0.56 0.90 0.00 0.00 49 E 8.09 4.08 0.00 2.08 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 0.00 2.52 2.42 0.00 50 M 7.81 4.21 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 51 M 7.60 4.40 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 52 A 7.40 4.69 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 53 S 8.63 4.60 0.00 3.92 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 0.00 54 T 7.83 4.13 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 1.15 0.00 0.00 55 D 8.23 4.45 0.00 2.75 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 56 A 7.61 4.48 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 *74 Q 8.06 4.02 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 75 A 8.53 5.07 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 76 D 8.30 4.82 0.00 3.10 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 77 V 8.99 4.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.20 0.00 0.00 78 M 8.30 5.02 0.00 2.16 2.27 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 2.63 2.69 0.00 79 I 7.92 4.72 1.89 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 1.12 0.78 0.93 0.00 0.00 80 V 9.08 4.50 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 1.16 0.00 0.00 0.98 0.00 0.00 81 A 9.09 4.70 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 82 G 8.57 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 0.00 0.00 0.00 0.00 83 R 8.26 4.03 0.00 1.74 2.00 0.00 3.28 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.35 0.00 84 L 8.54 4.28 0.00 1.77 1.63 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.54 4.50 0.00 3.86 3.66 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 86 K 8.50 4.03 0.00 1.73 1.83 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.53 7.81 87 K 7.69 4.09 0.00 1.75 1.80 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 88 M 7.85 4.25 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 89 A 7.57 4.04 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 90 P 0.00 4.20 0.00 2.29 2.33 0.00 3.80 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 2.16 2.03 0.00 91 V 7.75 3.60 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 1.20 0.00 0.00 0.98 0.00 0.00 92 M 7.90 3.65 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.24 0.00 93 R 7.70 3.87 0.00 1.89 2.15 0.00 3.24 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 94 R 7.64 4.15 0.00 2.00 1.99 0.00 3.23 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 95 V 7.45 3.57 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 0.71 0.00 0.00 0.96 0.00 0.00 96 W 8.05 4.11 0.00 3.24 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 97 E 8.92 3.70 0.00 2.21 1.93 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 2.58 2.94 0.00 98 Q 7.85 4.12 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 99 M 7.69 4.33 0.00 1.48 1.81 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 100 P 0.00 4.27 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 101 D 8.40 4.12 0.00 2.55 2.62 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 0.00 102 P 0.00 4.06 0.00 2.10 1.96 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 103 K 6.89 4.46 0.00 1.52 1.46 0.00 0.85 0.00 0.00 1.50 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.19 7.81 104 W 8.77 5.80 0.00 3.32 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 0.00 105 V 8.78 4.88 2.27 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 1.06 0.00 0.00 1.13 0.00 0.00 106 I 8.70 4.68 1.88 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 1.10 0.45 0.95 0.00 0.00 107 S 8.98 4.88 0.00 3.61 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 0.00 108 M 8.95 4.49 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 109 G 9.24 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 0.00 110 A 8.35 4.29 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.13 4.34 0.00 3.06 3.19 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 0.00 112 A 8.11 4.34 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 0.00 113 S 7.65 4.53 0.00 4.03 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 0.00 114 S 7.82 4.60 0.00 3.95 3.79 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 0.00 115 G 8.31 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 0.00 0.00 0.00 0.00 116 G 7.41 3.72 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 0.00 0.00 0.00 117 M 8.49 4.17 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 2.09 0.00 118 F 7.51 4.76 0.00 3.25 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 0.00 119 N 7.92 4.78 0.00 2.69 2.77 0.00 0.00 7.08 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 0.00 120 N 7.73 5.00 0.00 3.17 2.95 0.00 0.00 6.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 9.42 4.20 0.00 3.19 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 0.00 122 A 5.80 3.48 0.70 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 0.00 0.00 123 I 7.15 4.93 1.86 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.55 0.94 0.00 0.00 124 V 8.16 3.48 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 0.76 0.00 0.00 0.92 0.00 0.00 125 Q 8.75 4.33 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.33 0.00 0.00 0.00 0.00 0.00 2.61 2.32 0.00 126 N 8.63 4.69 0.00 2.83 3.13 0.00 0.00 6.69 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 0.00 127 V 8.84 3.65 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 0.81 0.00 0.00 1.01 0.00 0.00 128 D 8.65 4.90 0.00 2.79 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 0.00 129 S 8.20 4.27 0.00 3.90 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 0.00 130 V 8.30 4.17 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 0.66 0.00 0.00 0.89 0.00 0.00 131 V 6.99 3.66 0.69 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 0.52 0.00 0.00 0.63 0.00 0.00 132 P 0.00 4.32 0.00 2.00 1.95 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 133 V 7.94 4.19 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.79 0.00 0.00 134 D 8.82 4.88 0.00 2.83 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 0.00 135 V 7.33 4.67 2.03 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 1.04 0.00 0.00 0.88 0.00 0.00 136 Y 8.77 5.23 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 0.00 137 V 8.99 4.52 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 1.06 0.00 0.00 0.99 0.00 0.00 138 P 0.00 4.64 0.00 2.12 2.12 0.00 3.83 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 2.03 2.02 0.00 139 G 7.93 4.33 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 0.00 140 C 7.84 4.76 0.00 2.89 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 0.00 141 P 0.00 4.64 0.00 2.23 2.04 0.00 3.83 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 1.98 1.95 0.00 142 P 0.00 4.37 0.00 2.23 2.38 0.00 3.81 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 2.01 2.05 0.00 143 R 8.51 4.00 0.00 1.86 1.86 0.00 3.19 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.67 0.00 144 P 0.00 4.26 0.00 2.19 2.10 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 145 E 8.18 4.12 0.00 2.04 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 2.39 2.43 0.00 146 A 8.01 3.97 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 0.00 147 L 7.63 3.92 0.00 1.73 1.86 0.91 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 0.00 148 I 7.56 3.78 2.04 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 1.54 0.36 0.96 0.00 0.00 149 Y 7.90 4.12 0.00 2.91 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 0.00 150 A 8.31 3.93 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 0.00 151 V 7.47 3.60 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 0.89 0.00 0.00 0.95 0.00 0.00 152 M 8.18 3.93 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 153 Q 7.93 3.72 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 154 L 7.55 3.89 0.00 1.71 1.70 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 7.81 3.69 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.51 0.00 0.00 0.00 0.00 0.00 2.13 2.41 0.00 156 K 7.63 3.72 0.00 1.62 1.76 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.41 7.81 157 K 7.40 3.94 0.00 1.83 1.80 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.43 7.81 158 V 7.18 4.00 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 -0.36 0.00 0.00 0.63 0.00 0.00 159 R 7.82 4.08 0.00 1.70 1.90 0.00 2.96 0.00 0.00 2.68 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.25 0.00 160 G 7.90 3.78 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 0.00 0.00 0.00 161 Q 8.28 4.27 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 162 A 7.45 4.62 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 0.00 163 Y 8.45 5.46 0.00 2.91 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 0.00 164 N 8.44 4.85 0.00 2.99 3.02 0.00 0.00 6.00 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 0.00 165 E 8.58 4.02 0.00 2.00 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 2.30 0.00 166 R 8.11 4.14 0.00 1.93 1.98 0.00 3.25 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 167 G 8.40 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 0.00 168 E 8.62 4.46 0.00 2.18 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 2.32 2.27 0.00 169 R 8.39 4.90 0.00 2.21 1.96 0.00 3.27 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 170 L 8.46 4.57 0.00 1.65 1.58 0.93 1.30 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 0.00 171 P 0.00 4.37 0.00 2.14 2.21 0.00 3.72 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 2.10 2.03 0.00 172 P 0.00 4.67 0.00 2.20 2.45 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 173 V 7.27 4.34 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 0.35 0.00 0.00 0.89 0.00 0.00 174 A 8.49 4.15 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 0.00 175 A 8.15 4.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.