NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.0034 8.2833 118.2183 52.5765 38.8981 174.4427 2 L 4.2051 8.4030 116.7364 57.4896 41.5855 178.7451 3 F 4.2981 9.0491 119.0971 60.6487 39.3636 177.2043 4 Q 4.1626 8.4614 117.5013 58.7604 28.4450 178.2277 5 F 4.6124 8.9185 121.9952 61.6052 39.4479 177.1242 6 A 3.6264 8.1027 120.1331 54.7923 17.9205 179.7101 7 R 3.6910 7.3680 115.6317 58.8572 29.9546 178.9525 8 L 3.6947 7.6577 118.2213 57.1738 41.7051 179.1045 9 I 3.9502 7.9612 120.2066 64.5294 36.8537 178.0632 10 D 4.5420 8.4321 120.5083 57.5285 40.5046 179.0584 11 A 3.5575 7.6621 120.3345 54.0538 18.3326 178.0126 12 K 4.4854 7.2474 115.4477 56.2094 32.6152 176.3214 13 Q 4.2860 10.2726 114.8964 56.5387 32.4549 174.1593 14 E 5.2340 7.9540 113.6347 53.4096 30.6052 174.6166 *16 A 3.7048 8.0365 124.1951 52.9911 19.6367 177.1347 17 F 4.0465 8.1818 117.8152 58.6064 36.8329 177.5268 18 S 4.1028 7.7908 119.8663 61.3991 62.3988 176.4163 19 F 4.2790 9.7061 117.7525 59.6802 37.1624 177.1753 20 F 3.9454 7.0924 117.8827 59.7028 38.7264 176.5328 21 K 4.2450 7.1595 115.5482 57.0030 33.0159 176.4568 22 Y 4.8322 7.0702 117.0135 57.9383 38.3572 176.2985 23 I 3.7597 7.6960 123.8834 64.3919 37.4367 175.3372 24 S 4.9199 7.5420 110.4232 58.0958 63.3218 173.6377 25 Y 5.1386 9.7364 129.3925 55.8191 42.5816 176.8988 26 G 3.2010 6.8575 111.7190 47.1138 0.0000 172.3876 27 C 4.5517 8.6605 114.2332 59.8159 41.1912 175.5532 28 Y 3.8581 8.4377 117.5845 61.0341 37.9930 176.7623 29 C 4.5895 9.0086 118.7835 61.1506 41.3019 173.0339 30 G 4.3971 8.7637 112.7628 44.6403 0.0000 175.8430 31 W 4.8378 9.3925 118.7241 54.7468 29.3380 175.3062 32 G 4.6258 7.1992 113.5383 45.0498 0.0000 171.1411 33 G 3.6893 8.0840 115.0131 44.4990 0.0000 172.9241 34 Q 4.2617 7.0616 113.9341 55.4410 31.0228 172.9075 35 G 3.6848 7.8117 110.9775 44.3359 0.0000 171.2769 36 T 4.8742 7.9083 116.7827 59.6892 70.7111 170.8533 37 P 5.0588 0.0000 0.0000 61.8062 31.1618 176.8223 38 K 3.9366 8.7542 124.0426 59.2239 32.3767 176.3180 39 D 4.5714 7.3199 116.2672 51.4609 41.9612 175.3120 40 A 4.0776 7.8451 117.8143 56.4863 18.1789 179.5138 41 T 4.0535 8.4524 114.3409 65.9399 68.6143 175.8957 42 D 4.6573 9.6631 120.5625 58.0522 41.1550 179.1931 43 R 4.0123 8.0326 117.6739 58.7959 30.3204 177.8788 44 C 4.1341 9.4744 116.8574 62.6991 28.3087 175.2116 45 C 4.3053 7.9826 117.5461 60.0937 39.3186 175.5130 46 F 3.9199 8.4184 122.3964 61.5248 38.6041 177.4122 47 V 3.0672 7.1619 116.9380 65.7108 31.1790 177.5049 48 H 3.7925 7.9023 118.1818 59.1075 29.3911 177.0743 49 D 4.2717 7.7088 119.2782 57.9462 40.9914 178.6035 50 C 4.1561 7.6060 115.7199 60.2179 38.3128 175.1616 51 C 3.6296 8.5986 117.9397 60.2136 43.2750 175.8719 52 Y 3.8640 8.4656 120.5223 61.3872 37.7583 178.7719 53 A 4.2075 8.5831 121.4288 54.5328 18.6422 179.7388 54 R 3.9251 8.9612 117.2148 58.7229 30.6418 177.3421 55 V 3.4218 7.0779 115.3420 62.8282 32.3285 175.2116 56 K 4.4057 8.3630 124.9261 54.8382 35.4378 177.1943 *58 G 4.1420 8.9221 110.7093 44.9147 0.0000 172.1238 59 C 4.3636 7.3695 112.4038 57.2080 32.1305 172.9016 *61 N 4.8751 8.3860 118.5155 53.0754 38.7536 173.0659 *68 P 4.0377 0.0000 0.0000 62.1128 33.1076 178.2495 69 K 4.1698 7.8064 116.8541 57.9671 32.3998 176.9302 70 L 4.5184 7.7854 116.2496 54.4221 42.4171 176.4055 71 V 4.1804 7.5084 118.7514 59.9261 33.0443 175.3234 72 E 4.3868 8.5146 122.6436 54.5830 30.2221 175.0845 73 Y 4.7870 7.7762 125.7657 56.0757 40.1418 175.0055 74 S 4.6190 8.7188 112.8779 57.1829 65.4622 171.8347 75 Y 5.0240 8.2536 128.0172 57.7816 40.9830 176.3966 76 S 4.7833 8.2299 104.2634 58.1433 64.7625 174.2652 77 Y 4.6849 8.3647 124.8412 57.4376 39.2245 175.0004 78 R 4.5214 9.2890 127.5892 56.3405 33.0230 176.2947 79 T 3.5289 9.1725 117.7595 65.1048 66.2149 172.8547 80 G 3.9068 7.4021 112.8111 44.8882 0.0000 174.2765 81 K 4.6112 8.2754 120.3024 54.5507 36.1234 175.4536 82 I 4.5499 8.3367 124.1100 60.0474 37.0492 175.9654 83 V 3.8655 8.5183 128.4841 62.1973 31.6366 174.3536 84 C 4.7965 8.6463 126.4461 58.4837 26.8916 172.4278 85 G 3.6870 8.5349 110.0521 45.9748 0.0000 170.7852 86 G 3.9274 8.4866 108.3284 45.4313 0.0000 173.3082 *88 D 4.7406 8.9627 124.7680 54.2883 42.4446 176.1140 89 D 4.4740 7.7728 118.5636 53.3925 41.8288 175.0988 90 P 4.3104 0.0000 0.0000 66.0640 31.3866 177.8017 91 C 4.1037 8.1862 117.3634 62.2338 31.5002 175.1055 92 L 3.7322 8.7018 120.6594 58.0194 41.4674 179.4921 93 R 4.2048 7.8254 116.4531 57.9850 30.0216 178.1859 94 A 3.9910 8.8239 121.8568 54.8441 18.6102 179.2988 95 V 3.3544 7.5028 116.2387 66.3337 31.4115 177.3544 96 C 2.7039 7.9796 118.3825 62.3572 31.2390 175.5580 97 E 3.9778 7.9409 119.2417 58.8714 28.8003 178.7086 98 C 4.2100 7.9730 117.2692 59.7488 38.5793 175.6012 99 D 3.7971 7.5267 120.1329 57.1337 40.2896 178.3282 100 R 3.8938 7.5060 119.1732 59.9780 30.0183 178.5801 101 V 3.3022 7.5839 117.3577 65.7430 31.3546 177.8206 102 A 3.5960 7.6418 120.4139 54.8688 18.2576 179.0778 103 A 4.3082 8.8478 119.2709 55.6504 18.4337 179.7347 104 I 3.6582 8.5057 118.5691 64.7447 37.2094 177.8679 105 C 4.6994 8.3304 120.8386 62.0810 31.1036 175.3015 106 F 4.3258 8.0994 118.0997 61.0467 38.8363 177.3430 107 R 4.0956 8.3410 117.7096 60.0176 29.8918 178.0717 108 E 4.0656 8.6914 118.4165 58.7659 29.4209 178.3763 109 N 4.9434 8.1179 113.6545 53.0774 39.6762 175.5019 110 M 4.4794 8.3639 115.1648 56.8840 31.8048 176.2351 111 N 5.0097 8.1130 113.2543 53.5337 40.7264 174.9869 112 T 4.5319 8.4203 107.9138 61.2388 69.0553 173.9797 113 Y 3.9053 8.0642 123.7071 57.9794 39.3058 174.4209 114 D 4.7572 8.7946 127.6153 52.2591 41.6594 176.8651 115 K 4.5377 8.7995 125.6529 57.0955 31.4669 176.8747 116 K 4.5533 8.5415 113.7287 55.6427 33.3175 176.1606 117 Y 3.9532 7.4951 114.7469 57.5717 38.5237 175.0423 118 M 4.6135 7.7368 119.4215 55.7904 33.5162 176.0968 119 L 3.6448 8.0040 120.6379 56.1551 39.4686 174.2272 120 Y 4.9162 7.6285 115.4545 57.4039 39.7821 175.6998 121 S 4.9104 8.1872 116.5328 56.4363 65.3305 175.4981 122 I 3.4496 8.2864 123.2754 64.6603 37.3939 176.6982 *124 F 4.8742 8.0169 121.3874 58.5109 40.6701 176.0238 125 D 3.6775 7.7398 115.8367 54.9219 40.0175 176.8244 126 C 4.5739 7.5509 118.0814 56.2359 42.1676 172.5086 127 K 4.5774 8.4021 120.7697 58.2009 39.4951 177.9910 128 E 3.5787 6.9688 106.9914 56.3788 30.2747 179.6327 129 E 4.4511 8.9375 130.0270 55.0138 30.8311 175.0938 130 S 4.3143 8.7703 120.6095 59.0665 63.3279 173.8787 131 D 4.4263 8.7418 126.0015 53.9056 42.2207 176.6955 132 Q 4.8277 8.5278 118.6725 54.9738 31.0692 176.7737 133 C 4.4913 8.6281 117.2322 57.2689 41.5877 174.0179 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 N 8.28 5.00 0.00 3.09 3.28 0.00 0.00 6.15 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 2 L 8.40 4.21 0.00 1.76 1.84 0.99 1.10 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 3 F 9.05 4.30 0.00 3.33 2.98 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 4 Q 8.46 4.16 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.69 0.00 5 F 8.92 4.61 0.00 3.47 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 6 A 8.10 3.63 0.75 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 0.00 0.00 7 R 7.37 3.69 0.00 2.09 1.88 0.00 3.15 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 8 L 7.66 3.69 0.00 1.88 1.71 0.89 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.96 3.95 1.90 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.60 0.90 0.00 0.00 10 D 8.43 4.54 0.00 2.42 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.66 3.56 0.72 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 12 K 7.25 4.49 0.00 1.68 1.81 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.44 1.51 7.81 13 Q 10.27 4.29 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 14 E 7.95 5.23 0.00 2.06 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 2.20 2.04 0.00 *16 A 8.04 3.70 0.58 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 17 F 8.18 4.05 0.00 2.99 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 0.00 0.00 0.00 18 S 7.79 4.10 0.00 4.16 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 19 F 9.71 4.28 0.00 3.15 3.10 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 20 F 7.09 3.95 0.00 2.94 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 21 K 7.16 4.24 0.00 1.45 1.51 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.76 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.87 0.21 7.81 22 Y 7.07 4.83 0.00 2.85 2.90 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 23 I 7.70 3.76 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 0.89 0.00 0.00 24 S 7.54 4.92 0.00 3.88 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 25 Y 9.74 5.14 0.00 3.02 2.89 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 26 G 6.86 3.20 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 27 C 8.66 4.55 0.00 3.23 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 28 Y 8.44 3.86 0.00 3.26 3.36 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 0.00 0.00 0.00 0.00 29 C 9.01 4.59 0.00 3.51 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 G 8.76 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 9.39 4.84 0.00 3.20 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 32 G 7.20 4.63 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 0.00 0.00 0.00 33 G 8.08 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.06 4.26 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.05 2.36 0.00 35 G 7.81 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 36 T 7.91 4.87 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 1.11 0.00 0.00 37 P 0.00 5.06 0.00 2.08 2.14 0.00 3.63 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 38 K 8.75 3.94 0.00 1.02 0.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 39 D 7.32 4.57 0.00 3.16 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 40 A 7.85 4.08 1.46 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 41 T 8.45 4.05 4.75 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 1.24 0.00 0.00 42 D 9.66 4.66 0.00 2.90 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 43 R 8.03 4.01 0.00 2.15 2.09 0.00 3.31 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 44 C 9.47 4.13 0.00 2.39 2.33 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 45 C 7.98 4.31 0.00 3.31 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 46 F 8.42 3.92 0.00 2.25 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 47 V 7.16 3.07 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 0.82 0.00 0.00 0.87 0.00 0.00 48 H 7.90 3.79 0.00 3.15 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.71 4.27 0.00 2.76 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 50 C 7.61 4.16 0.00 2.86 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 51 C 8.60 3.63 0.00 2.85 2.99 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 52 Y 8.47 3.86 0.00 2.95 2.98 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 53 A 8.58 4.21 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 54 R 8.96 3.93 0.00 1.63 1.96 0.00 3.33 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.72 0.00 55 V 7.08 3.42 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 0.86 0.00 0.00 56 K 8.36 4.41 0.00 1.81 1.60 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.66 7.81 *58 G 8.92 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 59 C 7.37 4.36 0.00 3.04 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 *61 N 8.39 4.88 0.00 2.77 2.82 0.00 0.00 7.59 8.03 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 *68 P 0.00 4.04 0.00 1.22 0.70 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 69 K 7.81 4.17 0.00 1.77 1.83 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.52 7.81 70 L 7.79 4.52 0.00 1.65 1.68 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.51 4.18 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 0.72 0.00 0.00 0.96 0.00 0.00 72 E 8.51 4.39 0.00 1.87 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 2.10 2.24 0.00 73 Y 7.78 4.79 0.00 3.07 3.12 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 74 S 8.72 4.62 0.00 3.83 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 75 Y 8.25 5.02 0.00 3.16 3.16 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 76 S 8.23 4.78 0.00 3.62 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 77 Y 8.36 4.68 0.00 3.26 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 78 R 9.29 4.52 0.00 1.65 1.69 0.00 3.26 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.83 0.00 79 T 9.17 3.53 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 1.17 0.00 0.00 80 G 7.40 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 0.00 0.00 0.00 81 K 8.28 4.61 0.00 1.72 1.58 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.41 7.81 82 I 8.34 4.55 1.96 0.00 0.00 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 1.51 1.01 1.00 0.00 0.00 83 V 8.52 3.87 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 0.96 0.00 0.00 0.94 0.00 0.00 84 C 8.65 4.80 0.00 2.91 2.90 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 85 G 8.53 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.49 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 *88 D 8.96 4.74 0.00 2.69 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 89 D 7.77 4.47 0.00 2.68 2.55 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 90 P 0.00 4.31 0.00 2.04 2.08 0.00 3.73 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 2.01 2.13 0.00 91 C 8.19 4.10 0.00 3.07 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 92 L 8.70 3.73 0.00 1.82 1.85 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.83 4.20 0.00 2.05 2.09 0.00 3.06 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 94 A 8.82 3.99 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 95 V 7.50 3.35 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 1.05 0.00 0.00 0.86 0.00 0.00 96 C 7.98 2.70 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.98 0.00 2.00 1.91 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 2.33 2.45 0.00 98 C 7.97 4.21 0.00 3.16 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 99 D 7.53 3.80 0.00 2.60 2.60 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 0.00 0.00 0.00 100 R 7.51 3.89 0.00 1.77 1.95 0.00 3.12 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 101 V 7.58 3.30 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 0.77 0.00 0.00 0.96 0.00 0.00 102 A 7.64 3.60 1.32 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 0.00 0.00 103 A 8.85 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.51 3.66 2.03 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 1.45 0.81 0.92 0.00 0.00 105 C 8.33 4.70 0.00 2.92 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 0.00 106 F 8.10 4.33 0.00 3.24 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 0.00 107 R 8.34 4.10 0.00 2.09 2.38 0.00 3.39 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 108 E 8.69 4.07 0.00 2.26 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 2.37 2.60 0.00 109 N 8.12 4.94 0.00 2.81 2.86 0.00 0.00 6.51 7.18 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 0.00 110 M 8.36 4.48 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 111 N 8.11 5.01 0.00 2.78 2.86 0.00 0.00 6.97 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 0.00 112 T 8.42 4.53 4.34 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 1.33 0.00 0.00 113 Y 8.06 3.91 0.00 3.05 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 0.00 114 D 8.79 4.76 0.00 2.61 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 0.00 0.00 0.00 115 K 8.80 4.54 0.00 1.87 1.82 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 116 K 8.54 4.55 0.00 1.55 1.58 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.26 7.81 117 Y 7.50 3.95 0.00 1.43 1.47 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 0.00 118 M 7.74 4.61 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.85 0.00 119 L 8.00 3.64 0.00 1.82 1.70 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.63 4.92 0.00 3.02 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 0.00 121 S 8.19 4.91 0.00 4.06 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 0.00 122 I 8.29 3.45 1.92 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 1.33 0.43 0.97 0.00 0.00 *124 F 8.02 4.87 0.00 3.03 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 0.00 125 D 7.74 3.68 0.00 1.78 1.83 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 0.00 126 C 7.55 4.57 0.00 2.80 3.10 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 0.00 127 K 8.40 4.58 0.00 1.78 2.04 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.38 7.81 128 E 6.97 3.58 0.00 1.93 1.12 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 2.23 2.28 0.00 129 E 8.94 4.45 0.00 1.89 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 2.18 2.21 0.00 130 S 8.77 4.31 0.00 3.79 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 0.00 131 D 8.74 4.43 0.00 2.04 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 0.00 0.00 0.00 132 Q 8.53 4.83 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 133 C 8.63 4.49 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.