NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6089 8.3193 116.7529 58.9536 64.4344 173.3757 2 T 4.3071 8.3411 115.5374 60.3133 71.8206 171.3761 3 S 5.1094 8.2606 117.5937 56.6562 64.5036 174.2368 4 P 4.5023 0.0000 0.0000 61.9758 32.5509 175.5389 5 E 4.3069 8.5910 119.3872 56.1086 30.8614 175.8672 6 I 3.9784 9.6248 127.0681 61.6232 37.0366 176.0533 7 A 4.2998 9.3411 130.7540 54.6520 18.5945 177.6846 8 S 4.6203 7.6625 106.9003 57.0154 66.1066 173.5116 9 L 4.9008 8.5089 123.6823 53.5142 44.2399 175.4637 10 S 4.7512 9.2101 120.7860 55.3715 66.1994 172.9846 11 W 4.3652 9.0902 130.6208 58.9454 30.2887 175.8171 12 G 4.2710 8.5310 116.7088 45.7782 0.0000 172.4469 13 Q 4.7805 7.8121 116.2084 55.4252 32.7550 172.4750 *15 K 4.4384 8.2323 120.8860 56.3357 33.9069 174.6907 16 V 4.4963 8.4759 124.7249 60.5340 33.0534 175.1351 17 K 3.7114 8.2773 129.6950 57.8598 32.5875 176.8387 18 G 4.0526 10.4307 115.6848 45.1986 0.0000 172.7635 19 S 4.5620 7.4744 110.9722 56.6031 65.0729 173.3480 20 N 4.4669 8.5221 125.5857 56.6358 39.8362 178.2068 21 T 4.3045 7.4333 109.6247 61.2101 68.8342 171.1057 22 T 4.4225 7.4685 111.2810 61.9464 70.6158 172.3952 23 Y 4.7093 7.8158 114.5628 57.7915 41.8448 173.4947 24 K 4.4268 8.8093 121.6757 57.6833 35.0108 175.2926 25 D 5.3748 8.0969 118.8470 52.5650 44.5634 174.5110 26 C 5.0366 8.6811 115.9725 56.8829 34.0334 173.3401 27 K 5.3293 8.6193 118.3706 53.5115 34.1521 175.8980 28 V 3.8794 7.8954 124.6715 60.5652 33.7922 175.3393 29 W 5.2844 8.8031 119.4236 54.5020 31.2190 171.6829 30 P 4.7614 0.0000 0.0000 67.1840 29.9000 176.0141 31 G 4.2946 9.3699 113.4713 45.4022 0.0000 172.7896 32 G 4.0595 8.0461 105.1316 47.1806 0.0000 171.4682 33 S 4.0503 7.7929 115.0099 58.4686 66.1152 173.7834 34 R 4.6912 7.4452 117.9255 55.4387 33.2625 175.2680 35 T 5.2010 8.8611 123.1793 62.2606 65.5992 173.0874 36 W 4.6064 8.4768 133.1543 58.3090 31.6991 175.6002 37 D 4.3447 8.7557 125.0233 51.8622 41.0110 174.8134 *48 G 3.7798 7.9656 108.5671 45.1194 0.0000 169.6020 49 V 4.0433 7.7340 120.1301 63.8488 31.9900 175.5018 50 Q 4.8165 10.6137 127.3210 52.3228 31.9540 174.9592 51 P 3.9819 0.0000 0.0000 66.1860 30.4776 178.0975 52 A 3.8644 7.7950 118.8670 55.2898 18.2472 178.7933 53 D 4.3556 7.8704 115.8593 57.1123 41.1583 178.6495 54 V 3.9655 7.3514 110.2488 61.5384 32.0768 177.8918 55 K 4.0093 8.0129 120.8558 59.5063 31.8831 178.1234 56 E 4.3363 8.0483 119.1624 58.1614 29.7520 178.5715 57 V 3.8647 7.4318 117.8807 65.8162 31.8455 177.8303 58 V 3.6366 7.8853 118.0216 65.9730 31.2491 177.7682 59 E 3.8312 8.2848 118.4794 59.4056 29.1955 179.2801 60 K 4.0274 7.1128 115.9548 56.8877 32.2907 173.8488 61 G 3.7354 7.7957 111.7925 45.2845 0.0000 173.0404 62 V 4.5676 7.8054 117.2720 59.1918 35.8284 175.5059 63 Q 4.3987 9.2457 122.6674 57.6734 30.7173 175.5952 64 T 5.1977 7.7739 113.9123 61.4955 73.1248 172.9212 65 L 5.1826 9.4597 126.9203 53.4311 45.6217 175.0040 66 V 4.6915 8.8998 126.9423 61.4667 33.7797 174.3920 67 I 4.1084 9.1219 129.6742 59.5585 39.5210 175.3582 68 G 3.9431 8.2454 117.0617 44.5053 0.0000 172.5708 69 R 4.4339 8.3477 125.1899 56.2857 30.5862 175.4899 70 G 4.0366 8.2676 105.4939 45.7466 0.0000 176.7211 *72 S 4.3269 8.8020 118.6796 57.1848 64.5023 175.3665 73 E 4.3675 8.0253 117.3063 57.2783 27.1762 175.5909 74 A 3.8759 7.4470 120.4531 53.6902 18.7768 177.4201 75 L 3.7931 7.8730 115.7771 55.3133 41.9371 176.6542 76 K 4.2796 8.7422 127.1029 56.4887 34.0833 176.0006 77 V 4.4748 8.0781 123.1771 60.2824 33.5621 172.6914 78 P 4.3898 0.0000 0.0000 62.2405 31.8862 177.7744 79 S 4.1388 8.9509 118.0966 61.3209 62.4352 176.8624 80 S 4.1038 8.0892 117.6729 61.9303 62.1654 176.0805 81 T 3.9103 7.9719 120.2340 66.1740 68.2160 176.3064 82 V 3.6340 7.8364 119.0098 66.3715 31.1081 177.8166 83 E 4.0470 8.5855 118.2025 59.3412 28.9631 178.7410 84 Y 4.2555 7.8856 119.2102 60.2698 39.1363 177.3603 85 L 3.8775 7.8740 120.1086 57.6289 41.7036 179.3500 86 K 4.2774 8.1421 116.4156 58.1076 32.0457 178.3770 87 K 4.2323 7.3834 118.1140 57.6208 32.1998 176.2592 88 H 4.7189 7.9963 114.9688 55.7599 30.2461 173.2763 89 G 3.9700 8.0335 105.1045 46.8009 0.0000 173.9450 90 I 4.5416 7.4858 117.8920 59.1986 39.6281 175.9613 91 D 4.5131 9.3265 127.1316 54.0341 41.9605 174.8832 92 V 4.7727 8.3457 126.3255 61.3356 33.5123 174.9543 93 R 4.5691 8.8362 126.0926 54.4095 33.4276 174.5335 94 V 4.5095 8.5953 124.3988 61.2643 33.0512 174.1302 95 L 4.9787 8.5163 127.1533 52.2208 46.8132 175.8486 96 Q 4.3401 8.8878 121.3919 57.5966 29.6408 177.4908 97 T 3.9336 8.9560 124.4283 66.7360 68.9026 175.5909 98 E 3.9937 8.5274 120.6614 59.7938 29.5563 179.2048 99 Q 4.0520 8.3134 117.1264 59.1367 28.7982 179.1111 100 A 4.1587 8.5134 122.1303 55.2254 18.3238 179.9403 101 V 3.6708 8.1584 116.8705 66.0478 31.6346 178.5271 102 K 4.0113 8.2836 118.3349 59.4274 32.0335 178.9476 103 E 3.9681 8.7800 120.0545 59.4519 29.5688 178.2566 104 Y 4.1128 8.3460 119.5581 60.9097 38.9675 177.7843 105 N 4.2770 8.7726 117.2598 55.6137 38.3226 177.4876 106 A 3.9187 7.9949 122.7299 55.1321 18.5486 179.5963 107 L 3.9036 7.6674 117.2816 57.9283 41.7508 180.0216 108 V 3.4150 7.4642 117.8994 65.6227 31.1637 177.9624 109 A 3.9307 7.9944 120.1188 55.1583 18.4891 179.3292 110 Q 4.1437 8.7821 114.3653 56.5556 30.0155 175.1007 111 G 3.5396 7.7218 109.2412 45.7917 0.0000 172.5309 112 V 4.4143 7.9449 119.9188 61.4279 35.9405 176.3382 113 R 4.4933 8.5304 124.1553 54.9265 29.3423 175.2509 114 V 4.9488 8.2371 121.4842 59.6985 34.4807 175.1618 115 G 4.4563 9.1912 109.2649 44.8270 0.0000 171.0739 116 G 4.1974 8.0100 106.0289 46.0412 0.0000 172.8252 117 V 4.7751 7.0710 112.5661 59.2861 35.0670 175.2595 118 F 5.2472 9.9360 123.4882 55.8813 43.2640 173.7629 119 H 6.0570 8.8276 119.2642 53.5426 32.0750 173.0435 120 S 4.3536 8.2492 120.9041 58.3903 63.1975 173.5319 121 T 2.8691 6.1948 110.7882 59.4537 71.5485 173.6487 122 C 4.4158 8.3973 117.2910 60.0148 28.1638 174.1235 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 1 S 8.32 4.61 0.00 3.90 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 2 T 8.34 4.31 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 1.22 0.00 0.00 3 S 8.26 5.11 0.00 3.71 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 4 P 0.00 4.50 0.00 2.26 2.05 0.00 3.84 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 1.99 1.86 0.00 5 E 8.59 4.31 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 6 I 9.62 3.98 1.96 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.51 0.75 0.00 0.00 7 A 9.34 4.30 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 8 S 7.66 4.62 0.00 3.83 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 9 L 8.51 4.90 0.00 1.53 1.55 0.88 0.87 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 10 S 9.21 4.75 0.00 4.01 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 11 W 9.09 4.37 0.00 3.45 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 12 G 8.53 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 0.00 0.00 0.00 0.00 13 Q 7.81 4.78 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.06 6.52 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 *15 K 8.23 4.44 0.00 1.78 1.78 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.46 7.81 16 V 8.48 4.50 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 0.68 0.00 0.00 0.65 0.00 0.00 17 K 8.28 3.71 0.00 2.02 1.73 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.47 7.81 18 G 10.43 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 0.00 0.00 0.00 19 S 7.47 4.56 0.00 3.83 3.83 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 20 N 8.52 4.47 0.00 2.68 2.75 0.00 0.00 7.05 7.70 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 21 T 7.43 4.30 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 1.12 0.00 0.00 22 T 7.47 4.42 4.18 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 1.15 0.00 0.00 23 Y 7.82 4.71 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.81 4.43 0.00 1.81 1.74 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.63 7.81 25 D 8.10 5.37 0.00 2.64 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 26 C 8.68 5.04 0.00 2.13 2.24 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 27 K 8.62 5.33 0.00 1.74 1.74 0.00 1.34 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.84 1.04 7.81 28 V 7.90 3.88 1.70 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 0.35 0.00 0.00 0.89 0.00 0.00 29 W 8.80 5.28 0.00 3.33 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.76 0.00 2.17 2.32 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 31 G 9.37 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 0.00 0.00 0.00 0.00 32 G 8.05 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.79 4.05 0.00 3.05 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 34 R 7.45 4.69 0.00 2.40 2.01 0.00 3.88 0.00 0.00 3.54 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.94 0.00 35 T 8.86 5.20 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 36 W 8.48 4.61 0.00 3.22 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 37 D 8.76 4.34 0.00 2.66 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 *48 G 7.97 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 49 V 7.73 4.04 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 0.71 0.00 0.00 1.27 0.00 0.00 50 Q 10.61 4.82 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.57 2.26 0.00 51 P 0.00 3.98 0.00 1.09 1.31 0.00 3.61 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 1.80 1.77 0.00 52 A 7.79 3.86 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 53 D 7.87 4.36 0.00 2.79 2.30 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 54 V 7.35 3.97 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 0.64 0.00 0.00 1.13 0.00 0.00 55 K 8.01 4.01 0.00 1.99 1.91 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.54 7.81 56 E 8.05 4.34 0.00 1.88 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 1.47 1.69 0.00 57 V 7.43 3.86 2.28 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 1.05 0.00 0.00 1.02 0.00 0.00 58 V 7.89 3.64 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 0.70 0.00 0.00 0.84 0.00 0.00 59 E 8.28 3.83 0.00 1.85 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 2.25 2.50 0.00 60 K 7.11 4.03 0.00 1.92 1.93 0.00 1.80 0.00 0.00 1.49 0.00 0.00 2.32 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.09 0.96 7.81 61 G 7.80 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 62 V 7.81 4.57 2.36 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 0.82 0.00 0.00 0.97 0.00 0.00 63 Q 9.25 4.40 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 64 T 7.77 5.20 4.26 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 1.28 0.00 0.00 65 L 9.46 5.18 0.00 1.62 1.43 0.88 0.51 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 66 V 8.90 4.69 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 0.95 0.00 0.00 1.08 0.00 0.00 67 I 9.12 4.11 1.78 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 0.98 0.36 0.84 0.00 0.00 68 G 8.25 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 69 R 8.35 4.43 0.00 2.17 2.16 0.00 2.94 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 70 G 8.27 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 *72 S 8.80 4.33 0.00 4.13 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 0.00 73 E 8.03 4.37 0.00 2.19 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 2.41 2.29 0.00 74 A 7.45 3.88 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 75 L 7.87 3.79 0.00 1.53 1.83 0.76 0.45 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 76 K 8.74 4.28 0.00 1.89 1.66 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.44 7.81 77 V 8.08 4.47 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 0.89 0.00 0.00 0.95 0.00 0.00 78 P 0.00 4.39 0.00 2.26 2.18 0.00 3.93 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 79 S 8.95 4.14 0.00 4.08 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 80 S 8.09 4.10 0.00 4.07 4.18 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 81 T 7.97 3.91 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 1.24 0.00 0.00 82 V 7.84 3.63 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 1.15 0.00 0.00 0.94 0.00 0.00 83 E 8.59 4.05 0.00 2.18 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 2.61 2.48 0.00 84 Y 7.89 4.26 0.00 2.90 3.25 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 85 L 7.87 3.88 0.00 1.88 1.63 0.91 0.89 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 86 K 8.14 4.28 0.00 1.68 1.85 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.56 7.81 87 K 7.38 4.23 0.00 2.03 1.95 0.00 1.83 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.42 7.81 88 H 8.00 4.72 0.00 2.96 3.11 0.00 6.06 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.03 3.97 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 0.00 0.00 0.00 90 I 7.49 4.54 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 0.93 0.00 0.00 91 D 9.33 4.51 0.00 2.74 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 92 V 8.35 4.77 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 0.84 0.00 0.00 0.98 0.00 0.00 93 R 8.84 4.57 0.00 1.74 1.79 0.00 3.44 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 94 V 8.60 4.51 2.08 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 0.81 0.00 0.00 0.92 0.00 0.00 95 L 8.52 4.98 0.00 1.64 1.54 1.05 0.67 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 96 Q 8.89 4.34 0.00 2.31 2.02 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 2.71 2.39 0.00 97 T 8.96 3.93 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 nan 0.00 0.00 98 E 8.53 3.99 0.00 2.28 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 2.45 2.46 0.00 99 Q 8.31 4.05 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 100 A 8.51 4.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.16 3.67 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 1.04 0.00 0.00 0.81 0.00 0.00 102 K 8.28 4.01 0.00 1.90 1.87 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.48 7.81 103 E 8.78 3.97 0.00 2.17 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 2.36 2.36 0.00 104 Y 8.35 4.11 0.00 3.46 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 0.00 105 N 8.77 4.28 0.00 2.97 2.84 0.00 0.00 6.94 7.52 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 0.00 106 A 7.99 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.67 3.90 0.00 1.71 1.65 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.46 3.41 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 0.95 0.00 0.00 0.21 0.00 0.00 109 A 7.99 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.78 4.14 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.08 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 111 G 7.72 3.54 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 0.00 0.00 0.00 112 V 7.94 4.41 2.11 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 0.84 0.00 0.00 0.90 0.00 0.00 113 R 8.53 4.49 0.00 1.82 1.89 0.00 3.13 0.00 0.00 3.39 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 114 V 8.24 4.95 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 0.36 0.00 0.00 1.15 0.00 0.00 115 G 9.19 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 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 0.00 0.00 0.00 0.00 117 V 7.07 4.78 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 0.28 0.00 0.00 0.47 0.00 0.00 118 F 9.94 5.25 0.00 2.89 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 0.00 119 H 8.83 6.06 0.00 3.20 3.27 0.00 5.79 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 0.00 120 S 8.25 4.35 0.00 4.10 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 0.00 121 T 6.19 2.87 3.54 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 0.42 0.00 0.00 122 C 8.40 4.42 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.