NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.6847 8.4444 117.3692 54.1180 30.0198 173.1402 4 M 4.0689 8.0939 118.7160 54.8525 34.1946 175.5541 5 K 4.1185 9.2357 127.6064 59.3231 32.8042 178.5131 6 H 4.1867 7.9341 116.1074 59.0046 28.8155 177.4846 7 T 3.8723 7.8824 117.0702 66.8440 68.2952 176.2916 8 E 3.9613 8.0118 119.8453 59.3647 28.9488 178.9110 9 L 3.9328 7.7872 118.9619 58.1696 41.6112 179.7471 10 R 3.9131 7.9966 116.7559 59.3679 30.1370 179.1020 11 A 3.7260 7.9216 119.7300 54.9477 18.1237 179.6170 12 A 3.8785 7.7522 119.3271 55.3031 18.2117 179.9281 13 V 3.4618 7.2103 114.5376 65.8064 32.0246 177.6292 14 L 3.8722 8.5324 119.3048 58.1150 41.4843 179.3876 15 D 4.3302 8.2920 119.2110 56.9165 40.9478 178.6809 16 A 3.8962 7.6444 121.0766 55.3256 17.9484 179.6090 17 L 4.0657 7.4172 116.6791 57.5411 41.9207 179.0011 18 E 4.1849 8.1882 121.3008 59.8008 29.3154 179.6076 19 K 3.9688 8.0697 122.0506 58.2566 31.8514 179.4045 20 H 4.2957 8.0430 117.4990 56.9013 28.3093 177.3526 *22 T 3.9047 9.0485 115.8293 61.2775 67.6389 172.2652 23 G 3.6328 8.7138 118.4441 46.7367 0.0000 170.8495 24 A 4.3331 7.7491 125.9199 51.4663 22.4655 174.8521 25 T 4.2686 7.9619 115.9085 62.0900 70.2628 174.7071 26 F 5.9680 8.4987 124.4892 55.3870 41.5765 175.1482 27 F 4.7765 8.7932 118.2643 56.0169 43.1041 173.9933 28 D 4.8439 8.8844 123.2204 51.2593 39.5256 174.7346 29 G 4.1484 8.8292 111.5363 43.3952 0.0000 172.4748 30 R 3.3907 7.8415 120.1820 55.3006 29.4070 175.8190 31 P 4.1096 0.0000 0.0000 61.1113 32.1755 175.7191 32 A 4.2935 7.6536 120.3784 52.4438 20.8164 177.2586 33 V 4.2194 6.4584 106.4792 59.8642 35.6321 173.7448 34 F 5.0230 8.3492 119.3900 56.0549 43.0583 173.7869 35 D 5.1512 10.2559 124.6020 53.0310 42.8870 178.4033 36 E 4.1424 9.1443 117.8374 59.4997 29.6307 180.2357 37 A 4.3767 8.0561 119.2366 53.5571 18.5072 177.7607 38 D 4.4833 8.8875 116.7946 55.9565 41.4237 176.9959 39 F 4.4490 7.6594 117.2959 56.1471 39.8523 174.3442 40 P 4.6243 0.0000 0.0000 62.5248 32.4661 175.0460 41 A 5.1354 8.5458 124.3627 50.0800 22.6264 175.5192 42 V 5.0100 8.7042 120.0632 61.3076 34.7958 173.8984 43 A 5.3882 9.7827 133.4078 51.1582 21.4754 176.2638 44 V 5.0141 8.3880 121.8725 59.8684 34.7376 172.1585 45 Y 5.2202 8.4676 122.8286 55.4609 41.8271 173.1714 46 L 5.5073 8.6474 118.6333 53.3236 45.1722 176.4491 47 T 4.6260 8.5562 110.7995 60.6241 72.6964 173.9395 48 G 4.1403 9.0740 109.7370 46.3961 0.0000 173.6967 49 A 4.5739 8.2395 122.1216 52.2491 19.2194 177.4213 50 E 4.6882 9.2289 122.4459 54.7947 33.9109 173.3579 51 Y 3.2257 7.6106 126.5240 57.1822 38.5798 174.9813 52 T 3.7861 8.0056 123.9901 64.5169 69.7589 176.9081 53 G 3.6139 6.5183 110.5722 45.1863 0.0000 172.9920 54 E 4.6742 7.6361 129.4221 55.9413 30.4819 177.5168 55 E 4.4788 7.7355 107.9499 55.7059 33.3046 177.0733 56 L 3.6402 7.9606 121.4279 58.0450 40.1291 174.3767 57 D 4.7482 7.5075 120.4018 51.8990 43.2995 177.4594 *59 D 5.6214 8.3734 121.0239 52.8288 40.6842 171.3103 60 T 5.0224 8.3624 120.1187 59.3288 69.9624 173.2207 61 W 5.2144 9.4997 127.9667 55.0261 33.5858 173.8403 62 Q 5.2477 8.8192 120.2731 55.3866 32.5637 172.9913 63 A 4.8448 9.1732 124.6023 51.5550 23.9488 174.9033 64 E 4.9132 8.9952 119.1726 54.9591 31.2157 175.5396 65 L 4.5883 9.1120 128.6476 54.5466 43.7344 174.9163 66 H 4.9543 9.2779 123.8138 54.1693 31.5155 173.8042 67 I 5.0696 8.4735 123.0309 59.3225 39.3624 172.3898 68 E 4.9812 9.3407 127.8916 54.1296 31.8822 174.3668 69 V 4.6659 8.1616 126.8770 60.1255 33.7588 174.6559 70 F 5.0295 9.7939 124.6393 55.6095 41.6435 174.7246 71 L 5.2553 8.7179 122.2193 51.8012 45.4963 174.1272 72 P 3.4044 0.0000 0.0000 63.0694 31.1681 176.5430 73 A 3.2892 8.7549 131.8022 53.9871 17.1793 179.6001 74 Q 4.2758 8.6945 120.6231 55.8548 27.6057 173.7292 75 V 4.6423 7.7763 120.2266 56.9556 35.7099 171.2726 76 P 4.5658 0.0000 0.0000 63.0215 32.0999 177.7751 77 D 4.5099 8.4677 119.8019 57.2672 40.7708 178.9962 78 S 4.3596 8.0126 115.0795 60.7645 62.9436 175.7430 79 E 4.1437 8.1516 122.1100 58.8809 29.2996 178.6442 80 L 4.1667 7.9852 118.9013 57.8296 41.7266 178.8916 81 D 4.7594 8.6477 119.8797 56.7203 40.7727 178.6140 82 A 4.2878 8.1165 121.0252 55.0665 18.4826 179.3849 83 W 3.9675 8.3344 126.8507 60.8142 30.7297 177.8180 84 M 4.2486 8.8714 120.9561 59.4071 31.6282 178.2487 85 E 4.8816 9.2537 116.7165 59.3814 30.2239 179.2944 86 S 4.9535 8.0263 111.2206 59.1887 64.6721 174.6824 87 R 4.4995 8.0391 117.9798 55.3971 31.9455 174.7155 88 I 4.4545 7.2783 115.7299 62.8861 40.1602 177.3385 89 Y 4.5341 8.3806 117.7505 60.8358 37.7402 177.3565 90 P 4.3302 0.0000 0.0000 65.8143 31.2488 178.8875 91 V 3.6679 7.7106 116.4678 65.7196 30.9774 176.6952 92 M 4.7172 7.5043 117.1899 55.5967 31.9920 176.7593 93 S 4.5471 7.9648 118.7552 59.3649 64.9159 174.7260 94 D 4.6505 7.5658 117.3454 51.8670 41.7159 180.2687 95 I 4.7117 7.7408 127.1353 57.1693 39.1320 173.8757 96 P 4.1883 0.0000 0.0000 65.5473 31.3719 177.4306 97 A 3.9146 7.9680 117.6899 55.3070 18.4948 178.6740 98 L 3.9595 7.9004 117.7571 58.5812 42.1034 178.8533 99 S 4.0911 7.6560 114.8535 62.2083 62.6723 176.7634 100 D 4.4456 7.8182 119.3017 57.0321 40.5666 178.3245 101 L 4.3556 7.7454 118.3764 54.5548 42.1991 176.4407 102 I 4.6561 6.9494 110.7537 59.2950 39.9535 175.2616 103 T 4.6153 8.8438 111.3312 61.8196 69.8459 174.7468 104 S 4.7190 7.5736 114.2353 58.1508 65.5585 174.8642 105 M 5.3787 8.7116 121.2278 54.2798 35.4882 174.2817 106 V 4.7300 8.6224 123.1558 60.0223 35.3203 173.2545 107 A 3.6477 8.8841 124.7822 54.5340 18.5322 174.5988 108 S 4.1769 8.8402 115.0237 58.1641 63.6591 175.7158 109 G 4.3302 5.3800 110.4828 45.5562 0.0000 172.2693 110 Y 4.6266 8.4036 121.8379 57.3431 40.7150 174.4689 111 D 5.0077 8.7696 126.8229 52.6166 44.6242 175.0189 112 Y 5.1071 8.4988 116.8887 56.5374 40.6413 175.4334 113 R 4.9405 8.9407 122.2624 54.6265 34.7735 174.2451 114 R 4.2185 8.1585 119.4291 54.6819 33.9291 175.0648 115 D 3.9970 6.9349 122.9937 53.2396 39.5561 175.8853 116 D 4.4275 8.0431 118.8731 54.3745 41.0576 176.3731 117 D 4.7355 8.2209 118.3536 55.6369 42.3829 177.8447 118 A 4.6212 8.3866 118.7038 51.6874 19.7065 175.8025 119 G 3.9739 7.8993 105.1539 47.7862 0.0000 175.3759 120 L 4.4456 9.0692 122.0819 55.7495 42.9981 176.7530 121 W 5.5068 7.2048 116.8046 56.3119 31.3779 174.0774 122 S 5.3200 9.0370 118.8580 57.1907 66.1122 174.1876 123 S 5.0772 9.4027 115.6432 56.6624 66.9866 172.5135 124 A 4.8938 8.2646 121.6930 50.0332 22.2435 174.6136 125 D 4.6488 8.7843 121.5864 52.2420 44.1727 174.4803 126 L 4.4187 8.2071 129.7260 53.7204 43.4545 175.0709 127 T 5.7178 7.8409 116.0469 59.1841 71.9169 172.7102 128 Y 5.1272 8.5419 120.2465 56.2729 42.2353 174.3480 129 V 4.8660 9.0719 122.5072 61.5108 33.4018 174.8902 130 I 5.2415 9.1246 121.5153 59.3510 41.3525 174.3639 131 T 5.3636 8.5873 111.8454 60.6976 72.2682 172.7633 132 Y 4.9741 8.3205 121.0248 56.6199 41.6429 172.4280 133 E 5.3531 8.7278 117.3546 53.7633 32.9591 176.3958 134 M 4.1217 8.6766 122.0667 55.6974 32.0190 176.2427 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 *3 H 8.44 4.68 0.00 2.95 2.92 0.00 7.17 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 4 M 8.09 4.07 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 5 K 9.24 4.12 0.00 1.86 1.70 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.61 1.31 7.81 6 H 7.93 4.19 0.00 3.15 3.24 0.00 5.70 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 7 T 7.88 3.87 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 8 E 8.01 3.96 0.00 2.13 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 2.29 2.47 0.00 9 L 7.79 3.93 0.00 1.74 1.53 0.24 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.00 3.91 0.00 1.86 1.98 0.00 3.31 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 11 A 7.92 3.73 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 12 A 7.75 3.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.21 3.46 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 0.82 0.00 0.00 0.88 0.00 0.00 14 L 8.53 3.87 0.00 1.65 1.57 0.93 0.98 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 15 D 8.29 4.33 0.00 2.68 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 16 A 7.64 3.90 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 17 L 7.42 4.07 0.00 1.31 1.40 1.11 0.85 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 18 E 8.19 4.18 0.00 1.85 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 2.31 1.79 0.00 19 K 8.07 3.97 0.00 1.85 1.76 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.10 7.81 20 H 8.04 4.30 0.00 3.39 3.13 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 T 9.05 3.90 4.31 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 1.57 0.00 0.00 23 G 8.71 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 24 A 7.75 4.33 1.18 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 0.00 0.00 25 T 7.96 4.27 4.19 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 0.87 0.00 0.00 26 F 8.50 5.97 0.00 2.83 2.97 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 27 F 8.79 4.78 0.00 2.86 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 28 D 8.88 4.84 0.00 2.69 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 29 G 8.83 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 0.00 0.00 0.00 0.00 30 R 7.84 3.39 0.00 1.84 1.77 0.00 3.26 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 31 P 0.00 4.11 0.00 0.55 0.70 0.00 3.18 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.49 0.00 32 A 7.65 4.29 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 33 V 6.46 4.22 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 0.66 0.00 0.00 0.75 0.00 0.00 34 F 8.35 5.02 0.00 2.78 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 35 D 10.26 5.15 0.00 2.69 2.63 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 36 E 9.14 4.14 0.00 1.89 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 2.33 1.93 0.00 37 A 8.06 4.38 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 38 D 8.89 4.48 0.00 2.51 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 39 F 7.66 4.45 0.00 2.90 2.95 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 40 P 0.00 4.62 0.00 2.14 1.66 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 41 A 8.55 5.14 0.89 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 0.00 0.00 42 V 8.70 5.01 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 1.27 0.00 0.00 0.84 0.00 0.00 43 A 9.78 5.39 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 44 V 8.39 5.01 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 0.77 0.00 0.00 0.93 0.00 0.00 45 Y 8.47 5.22 0.00 3.03 3.07 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 46 L 8.65 5.51 0.00 1.49 1.58 0.67 0.72 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 47 T 8.56 4.63 4.36 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 1.35 0.00 0.00 48 G 9.07 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 49 A 8.24 4.57 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.23 4.69 0.00 2.16 1.75 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 2.03 2.18 0.00 51 Y 7.61 3.23 0.00 1.43 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 52 T 8.01 3.79 4.13 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 1.05 0.00 0.00 53 G 6.52 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 54 E 7.64 4.67 0.00 1.74 1.79 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 2.18 2.11 0.00 55 E 7.74 4.48 0.00 1.93 1.74 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 2.13 1.86 0.00 56 L 7.96 3.64 0.00 1.72 1.70 0.97 1.15 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 57 D 7.51 4.75 0.00 2.60 2.48 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 *59 D 8.37 5.62 0.00 2.62 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 60 T 8.36 5.02 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 1.13 0.00 0.00 61 W 9.50 5.21 0.00 2.25 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 62 Q 8.82 5.25 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 63 A 9.17 4.84 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 4.91 0.00 2.13 1.87 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 2.31 2.44 0.00 65 L 9.11 4.59 0.00 1.71 1.71 0.89 0.78 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 66 H 9.28 4.95 0.00 1.71 2.12 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.47 5.07 1.87 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 1.14 0.64 0.96 0.00 0.00 68 E 9.34 4.98 0.00 2.28 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 0.00 1.52 2.12 0.00 69 V 8.16 4.67 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 0.58 0.00 0.00 0.01 0.00 0.00 70 F 9.79 5.03 0.00 2.25 2.63 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 71 L 8.72 5.26 0.00 1.60 1.54 1.01 0.52 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 72 P 0.00 3.40 0.00 1.72 1.44 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 73 A 8.75 3.29 1.16 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 0.00 0.00 74 Q 8.69 4.28 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.74 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 75 V 7.78 4.64 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 0.96 0.00 0.00 0.93 0.00 0.00 76 P 0.00 4.57 0.00 2.19 1.99 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 77 D 8.47 4.51 0.00 2.54 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 78 S 8.01 4.36 0.00 3.89 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 79 E 8.15 4.14 0.00 2.10 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 2.43 2.42 0.00 80 L 7.99 4.17 0.00 2.16 1.86 1.06 1.17 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 81 D 8.65 4.76 0.00 3.10 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 82 A 8.12 4.29 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 83 W 8.33 3.97 0.00 3.69 3.31 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 84 M 8.87 4.25 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 85 E 9.25 4.88 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 86 S 8.03 4.95 0.00 3.92 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 87 R 8.04 4.50 0.00 0.87 1.42 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.84 0.00 88 I 7.28 4.45 2.02 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.95 0.00 0.00 89 Y 8.38 4.53 0.00 3.10 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 90 P 0.00 4.33 0.00 2.17 2.14 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 91 V 7.71 3.67 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 1.03 0.00 0.00 0.69 0.00 0.00 92 M 7.50 4.72 0.00 1.96 2.36 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.89 0.00 93 S 7.96 4.55 0.00 3.94 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 94 D 7.57 4.65 0.00 2.49 2.42 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 95 I 7.74 4.71 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.89 0.00 0.00 96 P 0.00 4.19 0.00 2.13 2.11 0.00 3.59 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 2.10 2.16 0.00 97 A 7.97 3.91 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 98 L 7.90 3.96 0.00 1.68 1.80 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.66 4.09 0.00 4.01 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 0.00 100 D 7.82 4.45 0.00 2.80 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 0.00 101 L 7.75 4.36 0.00 1.70 1.66 0.90 0.63 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 0.00 102 I 6.95 4.66 2.06 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 1.34 0.76 0.87 0.00 0.00 103 T 8.84 4.62 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 1.28 0.00 0.00 104 S 7.57 4.72 0.00 3.90 3.98 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 0.00 105 M 8.71 5.38 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 106 V 8.62 4.73 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 0.75 0.00 0.00 0.97 0.00 0.00 107 A 8.88 3.65 1.21 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 0.00 0.00 108 S 8.84 4.18 0.00 3.84 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.38 4.33 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 0.00 110 Y 8.40 4.63 0.00 3.05 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 0.00 111 D 8.77 5.01 0.00 2.57 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 0.00 112 Y 8.50 5.11 0.00 2.86 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 0.00 113 R 8.94 4.94 0.00 1.99 2.00 0.00 3.38 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 114 R 8.16 4.22 0.00 1.64 1.52 0.00 3.11 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.47 0.00 115 D 6.93 4.00 0.00 1.58 1.72 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 0.00 116 D 8.04 4.43 0.00 2.67 2.63 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 0.00 117 D 8.22 4.74 0.00 2.88 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 0.00 118 A 8.39 4.62 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 0.00 119 G 7.90 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 0.00 120 L 9.07 4.45 0.00 1.96 1.96 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 121 W 7.20 5.51 0.00 3.78 3.46 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 0.00 122 S 9.04 5.32 0.00 3.43 3.71 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 0.00 123 S 9.40 5.08 0.00 3.09 3.38 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 0.00 124 A 8.26 4.89 1.07 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 0.00 0.00 125 D 8.78 4.65 0.00 2.52 2.35 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 0.00 126 L 8.21 4.42 0.00 1.34 1.47 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.84 5.72 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 0.76 0.00 0.00 128 Y 8.54 5.13 0.00 2.90 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 0.00 129 V 9.07 4.87 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 1.04 0.00 0.00 1.03 0.00 0.00 130 I 9.12 5.24 1.99 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.01 0.95 0.00 0.00 131 T 8.59 5.36 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 1.27 0.00 0.00 132 Y 8.32 4.97 0.00 3.17 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 0.00 133 E 8.73 5.35 0.00 1.90 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 2.52 2.22 0.00 134 M 8.68 4.12 0.00 1.76 1.86 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.32 0.00 * Residues marked with a * may have inaccurate shift predictions.