NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4711 8.3349 115.5416 57.9561 64.9972 172.6414 3 I 3.6076 8.4306 122.1511 60.3462 38.2353 173.8062 4 K 4.8307 10.0141 127.7215 55.1225 34.2159 175.4288 5 V 4.9283 8.8763 125.3785 61.2701 34.4460 173.9730 6 C 5.3102 9.1006 124.6270 58.0447 31.5334 172.8225 7 I 4.9548 8.4711 121.9523 59.4391 40.3560 174.3747 8 A 5.4111 8.6801 128.1315 49.3722 21.4829 174.7747 9 D 4.6899 8.3760 119.8701 53.7659 44.4619 175.7029 10 D 4.8722 8.9457 122.9058 53.5307 40.2926 176.6977 11 N 4.6094 8.7581 120.3188 52.6831 38.7243 174.9907 12 R 3.9533 8.3078 127.9842 59.1030 30.2862 178.3855 13 E 3.9481 8.1906 118.6180 59.1822 29.7128 178.5037 14 L 4.0327 8.3046 120.4986 58.0626 42.1871 178.9484 15 V 3.6739 8.0877 118.3425 66.1727 31.4282 177.9716 16 S 4.1937 8.1815 112.7119 61.4181 62.2512 176.1528 17 L 4.0696 8.1096 121.7362 57.6867 41.2786 179.4946 18 L 4.1414 8.5091 119.4425 57.7898 41.5404 178.9566 19 D 4.3227 8.6249 118.3245 57.3162 41.3222 177.7245 20 E 3.9185 8.3296 119.7408 59.5722 29.4262 178.1794 21 Y 3.9973 7.9442 117.7752 60.8476 39.2480 177.7176 22 I 3.7588 8.2393 121.1002 64.5400 37.0073 178.6893 23 S 4.1836 8.2719 115.3541 61.0193 62.6843 176.1628 24 S 4.2489 7.4353 114.8935 58.8555 63.4036 174.4607 25 Q 4.1212 7.3408 123.5026 54.6795 29.1777 175.4048 26 P 4.3517 0.0000 0.0000 64.8246 31.8826 176.7358 27 D 4.8879 7.9415 117.6362 52.8492 39.6386 174.8854 28 M 5.4476 7.5384 116.3376 54.6888 36.5323 174.1498 29 E 4.6833 8.9290 117.5624 55.0607 33.6526 174.1039 30 V 4.6036 8.3641 122.4425 62.1372 32.1988 175.3676 31 I 4.3286 8.3515 121.1263 60.1838 38.5271 175.6407 32 G 4.2007 7.3010 108.7556 46.3646 0.0000 172.5742 33 T 5.3204 8.4356 110.5677 59.8580 72.3191 172.8364 34 A 4.4000 8.6859 123.4212 50.7346 22.7098 176.3267 35 Y 5.1230 8.5891 116.1089 56.9203 38.9917 174.8147 36 N 4.8446 7.6248 117.6517 50.7597 41.2668 175.4378 37 G 3.9508 8.1006 107.9549 47.6119 0.0000 176.1338 38 Q 4.0374 8.3516 120.6064 58.8399 28.6820 178.5563 39 D 4.3976 8.9879 120.3689 57.1183 40.7112 178.3988 40 C 4.0419 8.0547 119.4129 62.5569 31.4027 175.6367 41 L 3.9626 7.6808 119.1113 57.7644 41.4815 179.0375 42 Q 4.0759 8.1685 119.5307 59.4048 29.0079 177.9061 43 M 4.0126 8.3570 119.5878 58.6957 32.0263 178.0611 44 L 4.2446 7.9789 117.8536 57.1346 41.8657 178.8002 45 E 4.1275 7.8917 118.2760 58.7792 29.4711 178.1655 46 E 4.3395 7.9741 116.8533 56.1987 30.4375 176.1839 47 K 4.7317 7.7772 116.8220 54.6559 35.4120 176.3328 48 R 4.6164 8.0127 118.7183 53.7016 30.1019 173.8669 49 P 4.5165 0.0000 0.0000 62.5469 32.8384 177.2922 50 D 4.6801 9.1661 120.3292 56.7704 42.1620 176.7303 51 I 5.1362 7.7022 117.9466 59.2376 41.5210 174.2330 52 L 5.0907 8.8237 128.2143 53.2626 44.7404 174.7972 53 L 4.9255 8.8472 127.0537 53.6595 43.5473 175.6090 54 L 4.8959 8.4522 125.8743 53.7257 45.9244 176.2715 *56 I 3.9663 8.3904 117.7903 61.4977 38.7238 176.3813 57 I 4.2179 7.4792 126.6464 61.4810 36.0275 175.2515 58 M 4.8101 7.9009 123.6905 52.8853 36.3236 173.4534 59 P 4.3714 0.0000 0.0000 62.7497 33.2575 175.0958 60 H 4.0342 9.3724 112.8837 56.4728 25.9569 171.3240 61 L 4.1021 7.7440 123.8309 54.9907 41.1833 175.0212 62 D 5.2115 8.3456 123.8046 52.2406 42.3355 177.2501 63 G 3.6291 8.9692 105.8196 47.6616 0.0000 175.9065 64 L 4.0403 8.0149 120.7249 57.4643 41.7184 179.0694 65 A 4.0016 8.2411 120.9339 54.8875 18.2435 179.7226 66 V 3.4949 7.8315 116.8027 66.0798 31.6281 177.8262 67 L 3.9052 8.0215 120.0468 58.2388 41.9225 178.4811 68 E 3.9134 8.2151 118.9840 59.5807 29.3650 179.1054 69 R 3.9878 7.9588 116.7346 59.0509 30.1148 178.8640 70 I 3.8457 7.7587 119.2245 64.3368 37.2122 178.0757 71 R 4.2111 7.7295 117.8753 59.3076 30.0224 178.2375 72 A 3.9755 7.5910 115.6746 52.7770 18.5262 176.8653 *77 Q 4.0197 7.5096 117.1712 55.3355 29.8992 173.5488 78 P 4.6477 0.0000 0.0000 62.7393 32.7679 175.3414 79 N 4.6932 9.1747 118.8640 52.8821 39.9982 174.4199 80 V 4.6671 8.4048 123.3346 61.4570 33.9628 174.2219 81 I 4.8621 8.6104 129.0515 59.5546 39.5548 175.0168 82 M 4.2584 8.5609 128.1342 55.3131 32.9766 175.7565 83 L 4.8961 8.5693 125.2397 53.6758 43.8632 174.9740 84 T 4.7491 8.4661 118.9496 60.4903 70.8863 174.1736 85 A 4.2158 8.8651 128.1524 54.0116 19.1787 178.4156 86 F 4.3110 8.3064 120.3842 56.8439 37.9904 175.9798 87 G 4.0614 7.5817 117.9986 44.6798 0.0000 172.2948 88 Q 3.9312 7.4459 119.4230 55.4397 31.5815 175.0118 89 E 3.8677 8.6889 125.4133 59.9683 29.5425 179.5351 90 D 4.5094 8.5636 118.4619 56.8397 40.7994 179.0078 91 V 3.7377 7.8989 119.0128 65.8851 31.7668 177.9713 92 T 3.3541 7.7301 109.6300 64.5734 68.4969 176.6647 93 K 3.8969 7.5610 120.0882 58.9392 32.0356 179.2005 94 K 3.9397 8.2840 119.7409 59.4255 32.0565 178.6109 95 A 4.0792 8.4517 121.6257 55.2569 18.4067 180.0523 96 V 3.6294 7.8307 117.5647 64.7940 31.3068 178.2154 97 E 3.9501 8.0990 119.2583 58.9787 29.6251 178.1754 98 L 4.3177 7.9683 116.4466 55.0547 41.9400 177.5977 99 G 4.0773 7.8085 106.9786 44.8596 0.0000 174.0724 100 A 4.1452 7.9146 122.9332 52.4618 18.8866 178.4788 101 S 4.4757 8.8621 118.8504 61.6466 63.8256 173.5316 102 Y 4.8946 7.7849 118.5296 56.9441 42.6658 173.4648 103 F 4.8793 6.9059 123.7523 57.1585 42.1338 173.0470 104 I 4.6108 8.8984 127.7698 59.4846 39.8923 175.1195 105 L 5.0277 8.5890 125.9656 54.0108 43.0138 176.3766 106 K 4.9235 8.5261 122.0214 54.9598 33.2494 175.2892 107 P 4.5932 0.0000 0.0000 62.4053 32.2733 175.1584 108 F 5.0025 7.8529 113.9472 54.5861 41.3945 173.5811 109 D 4.7020 8.4030 119.2708 52.6402 43.6513 176.6175 110 M 4.0612 8.3194 126.1003 58.6919 31.8908 178.8290 111 E 4.0939 8.5188 118.7941 59.3099 29.5434 178.9030 112 N 4.3453 8.4299 116.9414 56.3879 38.9573 176.5636 113 L 4.0188 8.1207 121.6186 58.3796 42.2210 178.8289 114 A 4.0888 8.3170 120.5664 55.5111 18.2208 179.0368 115 H 4.0957 8.3269 116.6965 59.8361 29.8748 177.3128 116 H 4.0321 8.3913 118.1575 58.5650 28.4781 177.7846 117 I 3.7210 8.1436 122.1213 64.5224 36.9798 178.6497 118 R 3.9741 8.0765 118.6786 59.4180 29.6969 179.1772 119 Q 3.9418 7.9149 116.6863 58.9734 28.7581 178.7681 120 V 3.7081 7.9164 118.5781 65.9964 31.6147 177.2205 121 Y 4.4758 8.0576 118.5377 59.8346 39.6308 177.7294 122 G 3.6137 7.9249 108.6569 43.8151 0.0000 172.5484 *125 T 4.1778 7.2982 115.4967 60.5902 70.2654 173.1238 126 P 4.2733 0.0000 0.0000 65.1125 31.5337 177.0677 127 V 4.1938 7.4536 117.1928 60.9502 32.5635 175.7534 128 V 3.8071 8.3443 119.4258 61.7688 31.3809 175.9576 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 4.47 0.00 3.88 3.89 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 3 I 8.43 3.61 1.61 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.73 0.00 0.00 4 K 10.01 4.83 0.00 1.63 1.71 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 5 V 8.88 4.93 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 1.10 0.00 0.00 0.90 0.00 0.00 6 C 9.10 5.31 0.00 2.84 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 7 I 8.47 4.95 1.82 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 1.16 0.81 0.90 0.00 0.00 8 A 8.68 5.41 1.14 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 9 D 8.38 4.69 0.00 2.71 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 10 D 8.95 4.87 0.00 2.86 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 11 N 8.76 4.61 0.00 2.80 2.97 0.00 0.00 7.12 8.12 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 12 R 8.31 3.95 0.00 1.80 1.84 0.00 2.93 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 0.00 13 E 8.19 3.95 0.00 2.08 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 2.38 2.44 0.00 14 L 8.30 4.03 0.00 1.89 1.87 1.12 1.13 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 15 V 8.09 3.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.14 0.00 0.00 16 S 8.18 4.19 0.00 4.03 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 17 L 8.11 4.07 0.00 1.93 1.75 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.51 4.14 0.00 1.97 1.80 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.62 4.32 0.00 2.79 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 20 E 8.33 3.92 0.00 2.12 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 0.00 2.36 2.36 0.00 21 Y 7.94 4.00 0.00 3.06 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 22 I 8.24 3.76 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.97 0.89 0.00 0.00 23 S 8.27 4.18 0.00 3.97 3.90 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 24 S 7.44 4.25 0.00 3.97 4.01 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 0.00 0.00 0.00 25 Q 7.34 4.12 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 26 P 0.00 4.35 0.00 2.14 2.14 0.00 3.64 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 1.94 1.91 0.00 27 D 7.94 4.89 0.00 2.73 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 M 7.54 5.45 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 29 E 8.93 4.68 0.00 1.96 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 2.14 2.23 0.00 30 V 8.36 4.60 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 0.84 0.00 0.00 0.96 0.00 0.00 31 I 8.35 4.33 1.85 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 1.14 0.78 0.89 0.00 0.00 32 G 7.30 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 33 T 8.44 5.32 3.95 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 0.00 0.00 1.15 0.00 0.00 34 A 8.69 4.40 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 0.00 0.00 0.00 0.00 0.00 35 Y 8.59 5.12 0.00 3.03 2.88 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 0.00 0.00 0.00 0.00 36 N 7.62 4.84 0.00 3.27 2.97 0.00 0.00 6.07 6.93 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 37 G 8.10 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.35 4.04 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 39 D 8.99 4.40 0.00 2.72 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 40 C 8.05 4.04 0.00 3.08 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 41 L 7.68 3.96 0.00 1.80 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.17 4.08 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 43 M 8.36 4.01 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 44 L 7.98 4.24 0.00 1.77 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.89 4.13 0.00 2.16 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 2.34 2.48 0.00 46 E 7.97 4.34 0.00 1.92 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 2.25 2.38 0.00 47 K 7.78 4.73 0.00 1.65 1.67 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.48 7.81 48 R 8.01 4.62 0.00 1.75 1.84 0.00 3.38 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 49 P 0.00 4.52 0.00 2.35 2.04 0.00 3.80 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 1.99 1.97 0.00 50 D 9.17 4.68 0.00 2.80 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 51 I 7.70 5.14 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.12 0.93 0.00 0.00 52 L 8.82 5.09 0.00 1.72 1.48 0.96 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.85 4.93 0.00 1.57 1.49 0.90 0.34 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 54 L 8.45 4.90 0.00 1.65 1.41 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 *56 I 8.39 3.97 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.39 0.87 0.00 0.00 57 I 7.48 4.22 1.84 0.00 0.00 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 1.15 0.30 0.84 0.00 0.00 58 M 7.90 4.81 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 59 P 0.00 4.37 0.00 1.90 2.07 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 60 H 9.37 4.03 0.00 3.35 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.74 4.10 0.00 1.88 1.83 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.35 5.21 0.00 3.18 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 63 G 8.97 3.63 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 64 L 8.01 4.04 0.00 1.83 1.74 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.24 4.00 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 66 V 7.83 3.49 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 0.99 0.00 0.00 67 L 8.02 3.91 0.00 1.95 1.84 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.22 3.91 0.00 2.22 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 2.31 2.36 0.00 69 R 7.96 3.99 0.00 1.82 1.98 0.00 3.22 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 70 I 7.76 3.85 2.01 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 1.40 0.64 0.91 0.00 0.00 71 R 7.73 4.21 0.00 1.83 2.12 0.00 3.28 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 72 A 7.59 3.98 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 *77 Q 7.51 4.02 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 78 P 0.00 4.65 0.00 2.08 2.23 0.00 3.76 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 1.99 2.00 0.00 79 N 9.17 4.69 0.00 2.71 2.81 0.00 0.00 6.93 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 80 V 8.40 4.67 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 1.04 0.00 0.00 0.93 0.00 0.00 81 I 8.61 4.86 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.95 0.00 0.00 82 M 8.56 4.26 0.00 1.14 0.77 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 2.39 2.51 0.00 83 L 8.57 4.90 0.00 1.32 1.35 0.25 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.47 4.75 4.11 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 0.00 0.00 0.00 0.92 0.00 0.00 85 A 8.87 4.22 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 86 F 8.31 4.31 0.00 3.04 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 87 G 7.58 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 88 Q 7.45 3.93 0.00 1.51 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 89 E 8.69 3.87 0.00 1.97 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 2.33 2.31 0.00 90 D 8.56 4.51 0.00 2.86 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 91 V 7.90 3.74 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 1.49 0.00 0.00 1.24 0.00 0.00 92 T 7.73 3.35 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 0.46 0.00 0.00 93 K 7.56 3.90 0.00 2.01 1.88 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.53 7.81 94 K 8.28 3.94 0.00 2.02 2.02 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 95 A 8.45 4.08 1.64 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 0.00 0.00 96 V 7.83 3.63 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 0.79 0.00 0.00 0.95 0.00 0.00 97 E 8.10 3.95 0.00 2.01 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 0.00 2.33 2.36 0.00 98 L 7.97 4.32 0.00 1.81 1.72 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.81 4.08 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 0.00 100 A 7.91 4.15 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 0.00 101 S 8.86 4.48 0.00 3.98 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 0.00 102 Y 7.78 4.89 0.00 3.04 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 0.00 103 F 6.91 4.88 0.00 2.86 2.45 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 0.00 104 I 8.90 4.61 1.76 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.08 0.92 0.00 0.00 105 L 8.59 5.03 0.00 1.61 1.67 0.94 1.13 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 0.00 106 K 8.53 4.92 0.00 1.76 1.89 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.50 7.81 107 P 0.00 4.59 0.00 2.13 2.02 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 108 F 7.85 5.00 0.00 3.23 3.27 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 0.00 109 D 8.40 4.70 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.06 0.00 0.51 1.41 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 111 E 8.52 4.09 0.00 2.18 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 0.00 2.47 2.34 0.00 112 N 8.43 4.35 0.00 3.04 3.09 0.00 0.00 6.82 7.95 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 0.00 113 L 8.12 4.02 0.00 1.93 2.01 0.83 1.27 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 0.00 114 A 8.32 4.09 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 0.00 115 H 8.33 4.10 0.00 3.27 3.46 0.00 5.79 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 0.00 116 H 8.39 4.03 0.00 3.37 3.21 0.00 5.68 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 0.00 117 I 8.14 3.72 2.08 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 1.55 1.09 0.90 0.00 0.00 118 R 8.08 3.97 0.00 1.99 1.99 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 119 Q 7.91 3.94 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 120 V 7.92 3.71 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 0.84 0.00 0.00 0.95 0.00 0.00 121 Y 8.06 4.48 0.00 3.01 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 0.00 122 G 7.92 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 T 7.30 4.18 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 1.19 0.00 0.00 126 P 0.00 4.27 0.00 2.06 2.17 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 127 V 7.45 4.19 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 0.93 0.00 0.00 128 V 8.34 3.81 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 0.71 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.