NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.1135 8.3349 115.4142 58.5820 64.2782 169.0438 3 F 3.1146 8.0594 125.4821 57.1887 35.7599 172.8146 4 R 4.6879 8.0457 124.9951 55.7932 32.0783 177.2014 5 F 5.1820 8.8070 120.5065 58.0721 41.8128 176.3511 6 G 3.7407 8.3715 117.5640 45.2138 0.0000 173.2306 7 Q 3.9068 8.6017 118.8010 58.0015 29.3065 176.0214 8 H 5.0754 7.5218 113.9983 53.3882 31.3564 172.8346 9 L 4.9277 8.3421 120.0931 54.5050 42.8915 176.0984 10 I 4.6536 8.8570 122.6578 59.3443 39.7042 176.0469 11 K 4.2377 8.5993 125.4965 55.7160 32.9642 176.4050 12 P 4.1438 0.0000 0.0000 65.8169 31.6505 178.8252 13 S 4.1480 8.2224 113.8460 61.0941 62.4879 175.9545 14 V 3.9640 7.9656 118.6829 62.8397 32.1052 175.2027 15 V 4.0483 7.6719 120.8169 62.4714 31.4705 175.2303 16 F 4.9880 7.8002 121.1772 56.8563 38.9155 175.2883 17 L 4.4798 7.0153 120.6878 54.1092 45.5684 173.9958 18 K 4.7765 8.3098 124.8979 56.3361 35.0820 174.9862 19 T 4.7775 8.8188 126.7168 61.7020 71.1414 173.7613 20 E 4.1586 8.7676 118.8670 59.3058 29.9947 177.1727 21 L 4.8676 8.0187 114.9933 54.0120 44.4710 176.1188 22 S 5.3275 7.9703 114.2501 56.9505 68.0113 172.3634 23 F 5.2847 8.4484 113.2540 55.8944 41.3296 173.1811 24 A 4.5844 8.4093 122.5199 50.0768 22.4368 174.9857 25 L 4.7379 7.6776 119.2141 54.9193 44.5315 174.8133 26 V 4.5300 7.6911 111.4200 59.9378 33.4389 176.1436 27 N 4.5782 8.3326 119.8481 52.5686 39.8267 175.8340 28 R 3.9752 8.4030 121.5008 58.1297 30.8213 175.6661 29 K 4.5490 7.4954 116.1999 53.2404 32.2615 172.3923 30 P 4.3979 0.0000 0.0000 62.3422 32.1882 177.1317 31 V 3.7294 9.0325 123.8672 65.4477 31.4317 175.8980 32 V 4.5575 7.1527 110.1505 58.3826 35.5801 173.0091 33 P 4.2690 0.0000 0.0000 64.0077 31.5093 177.2625 34 G 2.5971 8.0556 110.5633 44.3462 0.0000 172.6770 35 H 4.3935 7.2797 120.1077 56.5582 30.1781 174.9580 36 V 4.5328 8.8637 118.6465 59.7960 36.4634 174.6729 37 L 5.4087 8.1172 122.6064 52.5017 45.0707 175.8875 38 V 4.1335 7.6760 119.1639 61.6371 34.1540 173.6663 39 C 5.2210 7.7687 125.2162 56.6915 32.0958 172.1704 40 P 4.3868 0.0000 0.0000 63.2091 31.2704 176.4432 41 L 4.3813 9.1852 122.5196 58.1086 41.8801 178.3891 42 R 4.0015 8.0944 117.8951 55.9030 31.0250 174.7582 43 P 4.3497 0.0000 0.0000 62.0055 30.9018 176.4919 44 V 3.9014 7.2054 112.0746 61.8704 32.8733 177.5368 45 E 4.4892 8.5116 122.4977 56.8431 30.6750 176.6818 46 R 4.8099 7.4794 116.3546 53.7191 33.6519 175.0723 47 F 4.5236 9.1428 123.1314 62.3407 39.3934 176.8988 48 H 4.0528 8.1417 114.3188 57.1487 28.3832 175.1782 49 D 4.5561 7.9488 119.9632 56.1457 41.6474 176.9127 50 L 4.1821 7.1318 118.0064 54.1076 42.1806 177.0888 51 R 4.1342 8.4792 121.6765 55.7907 30.4359 175.4980 52 P 4.3382 0.0000 0.0000 65.5497 31.9801 178.6628 53 D 4.5673 8.0273 121.9844 58.4435 39.7834 183.3470 54 E 4.4171 8.0113 115.0677 57.3795 29.0995 178.1158 55 V 4.4385 7.2888 116.9426 63.6622 32.7713 177.6893 56 A 3.9914 8.2677 121.1771 55.0178 18.5514 178.6490 57 D 4.2479 8.1586 116.0436 57.6466 41.2884 177.8969 58 L 3.8604 8.0631 120.4213 57.9451 42.2977 178.6180 59 F 4.2642 7.8158 115.7421 59.0369 39.7177 178.2179 60 Q 4.0183 8.6159 120.0415 59.2041 28.8278 177.9574 61 T 3.9481 8.3238 117.0738 67.0440 68.4500 176.2945 62 T 3.8548 7.8654 117.2946 66.9834 68.3376 175.6956 63 Q 4.0394 7.8007 122.1241 61.0337 29.2095 179.3927 64 R 4.0669 8.4945 121.7100 60.3002 28.7720 180.7624 65 V 3.7730 7.8476 118.6245 65.8507 32.1170 178.8977 66 G 3.9304 8.4867 106.0326 47.9267 0.0000 175.6276 67 T 4.1344 8.9226 115.8266 63.6343 67.2466 175.6836 68 V 3.3507 7.7315 117.5747 63.4685 31.7893 176.3167 69 V 4.1851 7.1008 117.0300 64.5241 32.9551 176.7937 70 E 3.9881 8.1487 118.9202 58.5484 29.4895 178.5134 71 K 3.9291 7.4350 119.0079 59.6373 32.2544 178.0499 72 H 4.1563 7.8109 116.8034 57.7005 29.9426 175.4256 73 F 4.3661 7.5341 115.2036 57.2917 39.7406 174.5543 74 H 4.0170 7.8069 116.3220 56.8604 26.1238 175.2980 75 G 3.9375 8.5086 107.5912 45.5835 0.0000 174.0744 76 T 4.4762 9.3423 112.4160 60.4011 68.0391 173.4886 77 S 5.7338 6.5416 116.4841 58.6386 64.8150 175.2511 78 L 5.0519 8.1720 119.3657 53.0745 45.8345 175.9017 79 T 4.5113 8.1550 113.6845 60.6138 69.8629 172.4117 80 F 5.2878 8.7193 127.0924 55.4304 42.0114 175.6531 81 S 4.4241 8.4399 114.0220 57.9836 65.4779 173.0755 82 M 4.1929 8.8379 128.2209 54.6061 33.0809 176.1248 83 Q 4.2625 8.7024 126.2741 54.5875 27.8949 172.9628 84 D 4.5743 8.3835 121.1791 54.0989 42.4025 177.1684 85 G 4.1244 8.4640 111.1169 45.2875 0.0000 172.3396 86 P 4.3136 0.0000 0.0000 65.4696 31.6406 178.9803 87 E 4.2168 8.1566 112.1565 57.1698 29.9499 181.8748 88 A 4.3209 7.5654 119.3876 53.4988 19.3267 177.8811 89 G 3.9367 7.9545 101.3969 45.1892 0.0000 174.1561 90 Q 4.0846 8.0643 120.8044 56.9416 29.4165 176.5684 91 T 4.5256 8.2975 109.6524 61.2748 71.0721 174.0709 92 V 4.1070 7.7041 121.4186 60.9912 33.1887 175.9367 93 K 4.3572 8.1679 127.8399 56.8886 32.3446 175.3280 94 H 5.1041 7.4917 116.3541 54.9147 33.6160 172.1503 95 V 4.1492 8.0514 123.9068 62.7952 32.2387 175.1631 96 H 4.6118 8.0834 118.4839 55.1624 30.5093 173.5116 97 V 4.1605 8.5318 122.7280 62.0678 33.6444 174.2210 98 H 4.8676 8.5331 123.1194 54.3717 30.6641 173.8080 99 V 4.2288 8.5818 124.8046 61.0436 33.4386 174.4530 100 L 4.9406 7.8909 128.0426 52.0669 45.1209 174.1669 101 P 4.6279 0.0000 0.0000 62.5737 32.5030 175.7204 102 R 4.9038 9.2671 121.9075 54.5127 33.2341 175.0910 103 K 4.9620 9.0380 119.9663 54.0242 36.1404 176.0730 104 A 3.8733 9.4717 125.0146 53.3142 19.0183 180.4160 105 G 3.6744 7.0842 106.5358 46.9298 0.0000 174.1031 106 D 4.7424 7.5289 122.0361 52.0365 42.3454 177.1624 *128 S 4.4285 8.3379 111.7536 57.7154 64.7074 173.7412 129 W 4.8667 8.4014 130.7257 57.7319 31.0315 174.8322 130 R 3.9190 6.1509 117.8315 54.5424 31.4199 174.4014 131 S 3.8709 7.8125 115.1888 58.2723 63.4930 174.9177 132 E 3.9240 8.9476 125.4640 60.0986 29.3162 180.0347 133 E 3.9993 8.4963 120.9617 61.9721 29.7712 181.6310 134 E 4.2312 8.0067 118.9359 60.9781 29.7284 180.7868 135 M 4.2190 8.0790 118.4482 58.3706 32.0404 178.6572 136 A 4.3057 8.9117 122.6972 54.1546 18.3310 179.6521 137 A 3.8639 7.7818 119.4594 55.3241 18.6947 179.0586 138 E 3.7652 8.0978 117.5228 59.6002 29.4834 179.0959 139 A 4.0255 8.2824 120.2832 55.1709 18.2958 179.4440 140 A 3.9304 7.7266 117.6524 55.2508 18.7537 179.2333 141 A 4.0327 8.7747 120.3428 55.5350 18.3876 179.6947 142 L 3.6698 7.7579 116.8348 57.9518 41.5508 179.6540 143 R 4.3171 8.3759 118.8147 59.9722 29.7400 178.4972 144 V 4.0606 7.8472 119.2260 65.4050 31.3018 176.8937 145 Y 4.1438 8.1947 114.1908 58.8604 37.7856 175.9993 146 F 4.9571 7.2527 117.8764 57.1173 39.9383 175.7575 147 Q 4.2403 7.9568 126.3450 56.3074 28.4278 176.0879 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 2 S 8.33 4.11 0.00 3.64 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 3 F 8.06 3.11 0.00 3.59 2.91 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 R 8.05 4.69 0.00 1.79 1.94 0.00 3.23 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 5 F 8.81 5.18 0.00 3.13 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 6 G 8.37 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 7 Q 8.60 3.91 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.73 0.00 0.00 0.00 0.00 0.00 2.13 1.86 0.00 8 H 7.52 5.08 0.00 3.27 3.46 0.00 5.27 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.34 4.93 0.00 1.59 1.78 0.95 0.78 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 10 I 8.86 4.65 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.85 0.00 0.00 11 K 8.60 4.24 0.00 1.72 1.74 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.51 7.81 12 P 0.00 4.14 0.00 2.24 2.30 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 13 S 8.22 4.15 0.00 3.87 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 14 V 7.97 3.96 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 0.88 0.00 0.00 0.89 0.00 0.00 15 V 7.67 4.05 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.03 0.00 0.00 16 F 7.80 4.99 0.00 3.11 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 17 L 7.02 4.48 0.00 1.21 0.85 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.31 4.78 0.00 1.92 1.74 0.00 1.97 0.00 0.00 2.07 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.78 7.81 19 T 8.82 4.78 4.45 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 1.32 0.00 0.00 20 E 8.77 4.16 0.00 2.08 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 0.00 2.29 2.35 0.00 21 L 8.02 4.87 0.00 1.78 1.71 0.95 0.77 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 22 S 7.97 5.33 0.00 3.67 3.67 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 23 F 8.45 5.28 0.00 3.04 3.15 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 24 A 8.41 4.58 0.32 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 25 L 7.68 4.74 0.00 1.61 1.40 0.60 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.69 4.53 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 0.80 0.00 0.00 0.87 0.00 0.00 27 N 8.33 4.58 0.00 2.70 2.71 0.00 0.00 6.91 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 28 R 8.40 3.98 0.00 1.79 1.89 0.00 2.21 0.00 0.00 2.92 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 29 K 7.50 4.55 0.00 1.79 1.76 0.00 1.91 0.00 0.00 1.90 0.00 0.00 3.28 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.54 7.81 30 P 0.00 4.40 0.00 2.35 2.03 0.00 4.03 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 1.98 1.91 0.00 31 V 9.03 3.73 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 0.74 0.00 0.00 0.92 0.00 0.00 32 V 7.15 4.56 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 0.94 0.00 0.00 0.79 0.00 0.00 33 P 0.00 4.27 0.00 2.21 2.13 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 34 G 8.06 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 0.00 0.00 0.00 35 H 7.28 4.39 0.00 3.25 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.86 4.53 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 0.65 0.00 0.00 1.04 0.00 0.00 37 L 8.12 5.41 0.00 1.09 1.32 0.40 0.43 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 38 V 7.68 4.13 1.81 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 0.75 0.00 0.00 0.77 0.00 0.00 39 C 7.77 5.22 0.00 2.76 2.91 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 40 P 0.00 4.39 0.00 2.33 2.16 0.00 4.12 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.15 0.00 41 L 9.19 4.38 0.00 1.68 1.79 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.09 4.00 0.00 1.95 1.89 0.00 3.24 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 43 P 0.00 4.35 0.00 2.17 2.11 0.00 3.82 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 1.94 1.98 0.00 44 V 7.21 3.90 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 1.04 0.00 0.00 45 E 8.51 4.49 0.00 1.98 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 0.00 2.26 2.27 0.00 46 R 7.48 4.81 0.00 1.70 1.68 0.00 3.25 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 47 F 9.14 4.52 0.00 3.13 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 48 H 8.14 4.05 0.00 3.23 3.38 0.00 5.57 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.95 4.56 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 50 L 7.13 4.18 0.00 1.83 1.68 1.41 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.48 4.13 0.00 1.93 1.92 0.00 3.13 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 52 P 0.00 4.34 0.00 2.17 2.15 0.00 3.77 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 1.98 1.94 0.00 53 D 8.03 4.57 0.00 2.71 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 54 E 8.01 4.42 0.00 2.01 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 2.36 2.41 0.00 55 V 7.29 4.44 2.31 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 1.24 0.00 0.00 1.06 0.00 0.00 56 A 8.27 3.99 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 57 D 8.16 4.25 0.00 2.84 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 58 L 8.06 3.86 0.00 1.69 1.79 0.66 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.82 4.26 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 60 Q 8.62 4.02 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 61 T 8.32 3.95 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 1.06 0.00 0.00 62 T 7.87 3.85 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 1.25 0.00 0.00 63 Q 7.80 4.04 0.00 2.21 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 64 R 8.49 4.07 0.00 1.87 1.80 0.00 3.36 0.00 0.00 3.09 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 65 V 7.85 3.77 2.29 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 1.25 0.00 0.00 0.90 0.00 0.00 66 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 67 T 8.92 4.13 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 1.31 0.00 0.00 68 V 7.73 3.35 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 0.18 0.00 0.00 0.70 0.00 0.00 69 V 7.10 4.19 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 0.82 0.00 0.00 0.83 0.00 0.00 70 E 8.15 3.99 0.00 2.14 1.97 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 2.42 2.29 0.00 71 K 7.44 3.93 0.00 2.02 1.62 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.47 7.81 72 H 7.81 4.16 0.00 2.33 2.96 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.53 4.37 0.00 3.12 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 74 H 7.81 4.02 0.00 3.37 3.39 0.00 5.65 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 75 G 8.51 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 76 T 9.34 4.48 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 1.24 0.00 0.00 77 S 6.54 5.73 0.00 4.02 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 78 L 8.17 5.05 0.00 0.88 1.44 1.10 0.61 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 79 T 8.15 4.51 4.15 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 1.12 0.00 0.00 80 F 8.72 5.29 0.00 2.95 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 81 S 8.44 4.42 0.00 3.89 3.70 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 82 M 8.84 4.19 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 83 Q 8.70 4.26 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 84 D 8.38 4.57 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.46 4.12 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 0.00 0.00 0.00 86 P 0.00 4.31 0.00 2.20 2.11 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 87 E 8.16 4.22 0.00 1.99 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 1.87 0.00 88 A 7.57 4.32 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 89 G 7.95 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 90 Q 8.06 4.08 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 91 T 8.30 4.53 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 1.27 0.00 0.00 92 V 7.70 4.11 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 0.00 0.00 0.83 0.00 0.00 93 K 8.17 4.36 0.00 1.90 1.95 0.00 1.48 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.32 7.81 94 H 7.49 5.10 0.00 2.93 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.05 4.15 2.20 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 0.81 0.00 0.00 1.12 0.00 0.00 96 H 8.08 4.61 0.00 3.14 3.31 0.00 5.57 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.53 4.16 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 1.00 0.00 0.00 0.43 0.00 0.00 98 H 8.53 4.87 0.00 3.29 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.58 4.23 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 0.74 0.00 0.00 1.06 0.00 0.00 100 L 7.89 4.94 0.00 1.41 1.32 0.86 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.63 0.00 2.00 1.97 0.00 3.31 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 102 R 9.27 4.90 0.00 1.79 1.81 0.00 3.16 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 103 K 9.04 4.96 0.00 1.57 1.66 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.44 7.81 104 A 9.47 3.87 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 0.00 105 G 7.08 3.67 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 0.00 0.00 0.00 106 D 7.53 4.74 0.00 2.77 2.71 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 0.00 0.00 0.00 0.00 *128 S 8.34 4.43 0.00 4.13 4.12 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 0.00 129 W 8.40 4.87 0.00 3.34 3.21 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 0.00 130 R 6.15 3.92 0.00 1.48 1.63 0.00 2.99 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 0.00 131 S 7.81 3.87 0.00 3.92 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 0.00 132 E 8.95 3.92 0.00 2.03 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 2.39 2.38 0.00 133 E 8.50 4.00 0.00 1.96 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 2.25 2.20 0.00 134 E 8.01 4.23 0.00 1.97 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 2.31 1.97 0.00 135 M 8.08 4.22 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 136 A 8.91 4.31 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 0.00 137 A 7.78 3.86 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 0.00 138 E 8.10 3.77 0.00 2.10 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 0.00 2.35 2.47 0.00 139 A 8.28 4.03 1.52 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 0.00 0.00 140 A 7.73 3.93 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 0.00 141 A 8.77 4.03 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 0.00 142 L 7.76 3.67 0.00 1.34 1.06 0.03 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.38 4.32 0.00 2.24 2.06 0.00 3.17 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.01 0.00 144 V 7.85 4.06 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 1.06 0.00 0.00 0.91 0.00 0.00 145 Y 8.19 4.14 0.00 2.13 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 0.00 146 F 7.25 4.96 0.00 3.24 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 0.00 147 Q 7.96 4.24 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.