NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6395 8.4201 119.2039 52.9276 41.0395 175.7004 0 A 4.1718 7.6650 120.1913 50.8665 19.5244 175.7832 2 N 4.8172 9.2990 115.8779 52.1133 41.4223 174.5881 3 I 3.6974 8.1682 129.8793 64.3651 37.3325 177.9457 4 Q 3.5182 7.9358 119.6104 59.1885 28.8254 178.2814 5 A 3.9556 8.0929 121.3630 54.8786 18.2852 179.4007 6 L 3.8664 8.0885 119.0393 58.3798 42.1341 179.2904 7 L 3.9172 8.1615 119.3834 57.6461 41.4045 179.4836 8 S 4.0397 8.2066 113.3205 61.2431 62.4784 175.7710 9 E 3.8873 8.5275 122.4567 59.2101 29.5094 178.8324 10 K 3.9082 8.2929 118.8435 59.6547 32.0635 179.5315 11 V 3.6252 8.1171 118.7183 65.6386 31.3124 177.8251 12 S 4.0551 8.2553 113.2513 61.7666 62.2327 176.3172 13 Q 3.9402 7.9810 119.8909 58.8991 28.2738 178.8437 14 A 3.9811 7.9476 121.4507 54.9278 18.3152 179.7056 15 L 3.8978 8.1494 117.7358 58.0008 41.6618 179.6892 16 I 3.9030 8.2276 121.0562 63.8740 36.8688 178.4205 17 A 3.8974 7.9598 119.7109 54.1953 18.1950 178.4421 18 A 4.4199 7.1067 117.0974 51.6128 19.3993 177.5910 19 G 3.9303 7.9440 104.6763 45.0278 0.0000 174.6833 20 A 4.1669 8.3176 123.6167 51.0825 19.3118 175.6661 21 P 4.3954 0.0000 0.0000 62.2402 31.9459 177.8866 22 A 4.1533 8.5337 123.1270 54.2415 18.4303 178.1445 23 D 4.9160 7.7950 114.1996 52.7311 39.8008 176.2244 24 C 4.1576 7.7841 114.4648 58.8560 30.0990 172.8866 25 E 4.5568 8.4522 121.5165 54.1249 30.4276 175.3764 26 P 4.1857 0.0000 0.0000 63.6160 32.3289 176.3993 27 Q 3.6992 8.0217 116.4547 56.8302 25.9544 173.6477 28 V 4.4609 7.5267 116.4057 63.0288 32.7512 175.9844 29 R 4.9048 9.2084 125.8507 54.0568 35.2888 173.9758 30 Q 4.0140 8.9058 120.9215 56.8594 29.2821 176.9381 31 S 4.4743 8.2906 121.7703 58.7477 62.9398 174.9496 32 A 4.1556 9.3846 126.9597 54.5823 18.6273 177.9337 33 K 4.5771 7.6052 113.5428 54.7562 36.3263 177.6537 34 V 3.4880 8.1470 114.4586 64.3066 31.7170 178.4988 35 Q 3.9579 7.7918 119.6271 58.3417 28.8669 176.5847 36 F 5.0408 7.9310 115.4883 57.1679 39.4943 177.1625 37 G 2.6547 7.5461 108.2796 44.3957 0.0000 173.2794 38 D 4.3878 8.3412 117.3612 56.3804 42.2667 176.5721 39 Y 5.2176 7.8286 113.9319 56.1660 42.4826 174.5145 40 Q 5.2587 9.3232 119.7452 54.1781 33.3353 174.3850 41 A 4.9092 8.8416 124.5159 51.1592 20.1978 177.3423 42 N 4.8496 9.1054 120.0470 53.4362 39.1012 176.3334 43 G 4.0911 8.2284 107.5971 45.1207 0.0000 176.5506 44 V 3.4633 7.3908 118.5394 63.0715 30.6791 177.3406 *46 A 4.1949 8.0868 123.2319 51.6704 20.6394 180.2078 47 V 3.5599 7.6040 114.4506 66.1400 31.3715 178.0906 48 A 3.9840 7.9127 119.3964 55.0490 17.9071 179.2348 49 K 4.0185 7.8991 117.6491 59.6741 32.1827 179.1481 50 K 4.1102 7.5636 117.2297 58.5960 32.0569 178.3519 51 L 4.6094 7.7795 116.9045 52.7948 42.7961 175.7817 52 G 3.5513 7.3597 109.1900 45.5064 0.0000 172.0735 *54 A 4.0407 7.8675 124.8223 51.0050 20.1444 174.5522 55 P 4.1355 0.0000 0.0000 66.5394 31.0853 178.4849 56 R 3.8292 7.9268 117.7196 59.2145 30.1259 178.1264 57 Q 3.9726 7.9971 118.8699 58.9193 29.0110 177.7834 58 L 3.9250 7.9461 121.3072 58.0164 42.0909 178.7155 59 A 3.9650 8.2831 121.0928 55.1951 18.2845 179.2937 60 E 3.9123 8.1822 116.9982 59.9288 29.5881 179.8004 61 Q 4.0204 7.9785 117.3945 58.7034 28.7219 178.8802 62 V 3.6111 8.1243 119.6964 66.0269 31.3567 177.9499 63 L 4.0171 8.0251 117.9533 58.0254 41.5890 179.5665 64 S 4.2459 7.8679 112.7298 61.5886 63.0276 175.8953 65 H 4.3682 8.0611 119.1482 57.0169 28.7797 175.7749 66 L 4.0181 7.4943 123.1536 54.6187 42.3816 175.4478 67 D 4.8086 8.6220 125.0491 52.8852 42.4134 174.7436 68 L 4.6832 8.2034 126.1979 54.1644 42.6973 176.0995 69 N 4.2992 8.0323 116.4761 55.3185 38.6934 175.8636 70 G 4.0181 9.0111 110.3797 45.6576 0.0000 173.3350 71 I 3.4672 7.5552 117.8596 61.8152 39.3318 175.0383 72 A 5.1812 7.8365 121.6757 50.2577 20.8431 176.1565 73 N 4.6579 8.9638 120.7259 55.7628 39.4935 175.7474 74 K 4.6481 7.8804 118.3951 54.9850 35.9915 174.8657 75 V 5.1069 8.4070 125.5429 61.3773 34.3787 174.2236 76 E 4.9314 9.5615 126.3548 54.7192 33.9863 174.4944 77 I 4.9559 8.4311 122.1496 59.9795 39.2380 175.0234 78 A 4.6735 8.7653 127.7583 50.0176 22.0458 176.1953 79 G 3.8181 8.9638 109.5260 46.6167 0.0000 173.9297 80 P 4.4148 0.0000 0.0000 63.2100 31.5882 176.1357 81 G 3.9882 7.9474 117.7974 45.8725 0.0000 172.8314 82 F 4.1609 7.5414 120.3908 57.6070 40.3150 174.3479 83 I 4.7866 8.5037 123.3479 59.8412 39.4159 174.3419 84 N 5.0754 9.5046 126.1973 51.9152 40.3689 174.2444 85 I 4.7482 8.7512 125.9904 59.6425 39.8178 174.7932 86 F 5.0833 9.3142 127.0587 55.6090 40.4734 175.6868 87 L 4.6663 9.2414 125.2526 54.3820 42.6439 176.8619 88 D 4.4223 9.0209 123.3450 54.0551 41.6634 175.3424 89 P 4.3263 0.0000 0.0000 65.7736 31.4162 178.4703 90 A 4.0427 8.4621 119.5932 55.0117 18.2313 179.5426 91 F 4.1592 8.2698 118.8360 61.2067 39.6186 177.0609 92 L 3.6512 8.2135 119.7338 58.0419 41.9331 178.3826 93 A 3.9537 8.2033 121.1990 55.6065 18.1603 179.1921 94 D 4.1839 8.0050 116.1519 57.4148 41.1335 177.9477 95 N 4.1125 7.8061 117.6928 56.3403 38.8845 177.2082 96 V 3.6376 7.7913 119.8174 65.9731 31.7405 177.7759 97 N 4.3335 8.3056 116.3996 56.4284 38.1266 177.6446 98 R 3.9286 8.0669 118.6343 59.1133 30.1940 178.6682 99 A 4.1102 7.8328 119.8911 54.3743 18.6631 178.7237 100 L 4.4399 7.8744 115.9952 55.2820 42.1639 178.7113 101 Q 4.0819 7.9530 118.6254 59.2548 28.2030 178.5917 102 S 4.2510 8.0469 114.0940 59.9810 63.3647 174.3749 103 E 4.5049 8.0172 120.8008 55.9332 29.9245 176.2478 104 R 4.1052 7.5850 119.6589 55.8600 30.7159 176.6598 105 L 4.3227 8.3932 121.3781 55.8296 40.5868 176.1582 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 8.42 4.64 0.00 2.70 2.89 0.00 0.00 6.98 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 0 A 7.66 4.17 1.34 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 0.00 0.00 2 N 9.30 4.82 0.00 2.74 2.69 0.00 0.00 6.95 7.81 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 3 I 8.17 3.70 1.80 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.55 0.75 0.00 0.00 4 Q 7.94 3.52 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 5 A 8.09 3.96 1.36 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 0.00 0.00 6 L 8.09 3.87 0.00 1.77 1.82 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.16 3.92 0.00 1.71 1.62 0.67 0.57 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 8 S 8.21 4.04 0.00 3.89 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 9 E 8.53 3.89 0.00 2.13 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 2.29 2.38 0.00 10 K 8.29 3.91 0.00 1.93 1.82 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.54 7.81 11 V 8.12 3.63 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 1.07 0.00 0.00 1.00 0.00 0.00 12 S 8.26 4.06 0.00 3.95 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 13 Q 7.98 3.94 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 14 A 7.95 3.98 1.40 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 15 L 8.15 3.90 0.00 1.88 1.70 0.90 0.98 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 16 I 8.23 3.90 1.97 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 1.38 1.09 0.88 0.00 0.00 17 A 7.96 3.90 1.09 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 0.00 0.00 18 A 7.11 4.42 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 19 G 7.94 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 20 A 8.32 4.17 1.27 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 21 P 0.00 4.40 0.00 2.34 1.97 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 22 A 8.53 4.15 1.27 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 23 D 7.80 4.92 0.00 2.74 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 24 C 7.78 4.16 0.00 3.12 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 25 E 8.45 4.56 0.00 2.02 2.01 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 2.30 2.29 0.00 26 P 0.00 4.19 0.00 2.17 2.09 0.00 3.74 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 2.27 2.09 0.00 27 Q 8.02 3.70 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.11 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 28 V 7.53 4.46 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 0.81 0.00 0.00 0.94 0.00 0.00 29 R 9.21 4.90 0.00 1.79 1.79 0.00 3.24 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 30 Q 8.91 4.01 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 31 S 8.29 4.47 0.00 3.76 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 32 A 9.38 4.16 1.36 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 0.00 0.00 33 K 7.61 4.58 0.00 0.84 1.16 0.00 1.51 0.00 0.00 1.04 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.23 1.32 7.81 34 V 8.15 3.49 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 0.63 0.00 0.00 0.85 0.00 0.00 35 Q 7.79 3.96 0.00 1.78 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.37 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 36 F 7.93 5.04 0.00 3.06 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 37 G 7.55 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 0.00 0.00 0.00 38 D 8.34 4.39 0.00 2.72 2.52 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 0.00 0.00 0.00 0.00 39 Y 7.83 5.22 0.00 2.83 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 40 Q 9.32 5.26 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 41 A 8.84 4.91 1.27 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 42 N 9.11 4.85 0.00 2.77 2.97 0.00 0.00 7.00 8.22 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 43 G 8.23 4.09 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 0.00 0.00 0.00 44 V 7.39 3.46 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 0.97 0.00 0.00 0.92 0.00 0.00 *46 A 8.09 4.19 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 47 V 7.60 3.56 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 0.98 0.00 0.00 0.94 0.00 0.00 48 A 7.91 3.98 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 49 K 7.90 4.02 0.00 1.80 1.95 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.51 7.81 50 K 7.56 4.11 0.00 1.89 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.46 7.81 51 L 7.78 4.61 0.00 1.61 1.68 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.36 3.55 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 0.00 *54 A 7.87 4.04 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 55 P 0.00 4.14 0.00 2.50 2.27 0.00 3.68 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 2.04 1.99 0.00 56 R 7.93 3.83 0.00 1.93 1.96 0.00 3.23 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 57 Q 8.00 3.97 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 58 L 7.95 3.92 0.00 1.79 1.77 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.28 3.96 1.36 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 0.00 0.00 60 E 8.18 3.91 0.00 2.24 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 2.34 2.45 0.00 61 Q 7.98 4.02 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 62 V 8.12 3.61 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 1.04 0.00 0.00 0.95 0.00 0.00 63 L 8.03 4.02 0.00 1.85 1.73 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.87 4.25 0.00 3.97 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 65 H 8.06 4.37 0.00 3.36 3.40 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.49 4.02 0.00 1.92 1.58 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.62 4.81 0.00 2.60 2.52 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 0.00 0.00 0.00 0.00 68 L 8.20 4.68 0.00 1.67 1.52 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.03 4.30 0.00 2.77 2.77 0.00 0.00 6.93 7.76 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 70 G 9.01 4.02 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 0.00 0.00 0.00 71 I 7.56 3.47 1.71 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 0.41 0.45 0.37 0.00 0.00 72 A 7.84 5.18 1.27 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 73 N 8.96 4.66 0.00 2.70 2.91 0.00 0.00 6.74 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 74 K 7.88 4.65 0.00 1.67 1.41 0.00 0.84 0.00 0.00 1.55 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.28 7.81 75 V 8.41 5.11 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 0.98 0.00 0.00 0.99 0.00 0.00 76 E 9.56 4.93 0.00 2.16 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 2.23 2.25 0.00 77 I 8.43 4.96 1.90 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 1.30 0.57 0.98 0.00 0.00 78 A 8.77 4.67 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.96 3.82 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 0.00 0.00 0.00 80 P 0.00 4.41 0.00 2.10 2.16 0.00 4.14 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 1.75 1.97 0.00 81 G 7.95 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 82 F 7.54 4.16 0.00 3.01 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 83 I 8.50 4.79 1.91 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 1.25 0.87 0.96 0.00 0.00 84 N 9.50 5.08 0.00 2.86 2.97 0.00 0.00 6.42 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 85 I 8.75 4.75 2.07 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 1.30 0.77 0.99 0.00 0.00 86 F 9.31 5.08 0.00 3.02 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 87 L 9.24 4.67 0.00 1.73 1.84 1.22 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 88 D 9.02 4.42 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.24 2.13 0.00 3.72 0.00 0.00 4.00 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 90 A 8.46 4.04 1.42 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 91 F 8.27 4.16 0.00 3.38 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 92 L 8.21 3.65 0.00 1.90 1.68 0.93 0.89 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 93 A 8.20 3.95 1.34 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 0.00 0.00 94 D 8.01 4.18 0.00 2.86 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 95 N 7.81 4.11 0.00 2.23 2.53 0.00 0.00 6.84 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 96 V 7.79 3.64 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 0.95 0.00 0.00 0.93 0.00 0.00 97 N 8.31 4.33 0.00 2.87 2.83 0.00 0.00 7.05 7.32 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 98 R 8.07 3.93 0.00 1.88 1.97 0.00 3.12 0.00 0.00 3.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 99 A 7.83 4.11 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 0.00 100 L 7.87 4.44 0.00 1.69 1.69 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.95 4.08 0.00 2.31 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 102 S 8.05 4.25 0.00 4.04 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 0.00 103 E 8.02 4.50 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 2.25 2.39 0.00 104 R 7.59 4.11 0.00 1.79 1.86 0.00 3.27 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.70 0.00 105 L 8.39 4.32 0.00 1.69 1.60 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.