NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3247 8.1233 122.4719 52.2338 20.9361 174.7807 3 T 4.5826 8.0270 115.2965 61.5859 70.5359 172.4311 4 Y 4.3884 9.4946 125.5258 56.2739 40.8977 174.2204 5 Y 5.0915 8.8845 122.2613 56.8661 41.1262 174.2870 6 Y 5.5892 8.4742 119.0462 56.1293 42.0756 173.2883 7 I 4.9758 8.8536 114.1500 59.1611 40.9096 174.0398 8 L 5.5440 9.4959 126.2450 53.6470 45.3150 174.9751 9 A 5.0316 8.8146 126.0228 50.6849 23.4851 175.8403 10 S 4.7569 8.6590 113.6525 58.0509 63.7334 175.8682 11 K 4.0983 8.8407 122.0159 59.1732 31.5888 179.8047 12 K 3.9802 8.0582 119.8194 59.5835 32.1903 178.4255 13 F 4.2127 8.4051 120.8567 61.1506 39.3808 176.2081 14 L 4.5476 8.0926 116.4239 55.5091 41.1922 178.2911 15 T 4.3675 7.3951 107.1592 61.9135 70.6536 174.6669 16 E 4.4745 8.4628 119.2647 56.2826 30.6202 176.0578 17 E 4.3766 7.9318 115.3961 57.3781 32.4487 176.0874 18 E 4.5244 7.3747 115.6635 53.3977 29.7741 173.4607 19 P 4.8158 0.0000 0.0000 62.5555 32.4256 177.7941 20 L 4.7140 8.4939 120.1665 54.4095 42.1873 177.7330 21 E 3.9595 8.2732 120.8191 60.0548 29.3649 178.6100 22 E 4.0596 8.2394 118.3469 58.9905 29.8102 178.7406 23 V 3.6848 7.9784 118.0900 65.9768 31.6360 177.8497 24 F 4.0281 8.8790 117.7671 60.8214 38.8243 177.9087 25 R 4.0888 8.3614 117.6214 59.3888 29.8535 179.0918 26 E 3.9870 8.6781 118.8512 59.3730 29.4009 179.3967 27 R 3.7792 7.9490 118.8396 59.3259 29.9808 178.6133 28 Q 4.0996 8.6648 118.4199 59.0964 28.7584 178.9275 29 R 3.9774 8.3031 119.2414 59.4631 30.1266 178.6275 30 H 4.3961 8.4893 118.1016 59.5657 29.8799 177.0014 31 Y 3.9059 8.5235 118.7353 60.9951 37.6844 178.6839 32 R 3.9911 8.3613 119.3916 59.2637 30.0128 178.9995 33 E 4.0525 8.1764 116.0089 58.8223 29.6618 178.1691 34 Q 4.3288 7.6223 116.1950 54.7460 29.2043 175.8958 35 G 3.8581 7.5841 107.9131 46.2216 0.0000 173.4837 36 K 4.3057 8.0654 120.4106 54.1852 33.3435 175.8186 37 E 4.1947 8.5575 126.3658 55.5771 30.2446 176.4907 38 I 3.4965 8.4812 127.4407 61.8578 37.7257 175.4533 39 D 4.3606 8.1694 124.6458 52.2507 40.0223 174.5679 40 F 4.8466 5.7771 112.6334 55.7162 40.9059 173.6373 41 W 5.5492 9.6214 120.3088 55.3884 34.0937 173.4305 42 L 4.7476 8.8180 125.3915 54.5417 42.7085 176.3982 43 V 4.4904 9.2298 126.7391 60.1446 33.1533 172.5200 44 P 4.5133 0.0000 0.0000 62.5476 32.4357 176.2940 45 E 3.6834 8.8922 120.1311 56.4526 27.0435 173.6231 46 P 4.4965 0.0000 0.0000 62.8211 32.4410 178.0723 47 A 3.8980 8.7640 125.1363 54.9416 18.1978 179.6606 48 F 3.9657 7.8932 112.8212 59.9235 37.4406 177.0834 49 L 3.5554 5.8650 118.3184 56.9204 41.7898 177.8059 50 E 4.2670 7.7110 116.4759 56.6630 30.3490 176.6393 51 Q 4.3071 7.6753 119.1595 54.8082 29.9350 175.1695 52 P 4.2533 0.0000 0.0000 65.9333 31.3874 178.6216 53 Q 3.9763 7.9314 113.2136 57.8484 28.6346 176.5910 54 F 4.9394 8.0701 117.0296 57.2222 40.0167 176.7607 55 A 4.0578 8.2161 126.2063 55.4576 17.9265 180.2642 56 E 3.9102 8.1345 117.0191 59.7076 29.8396 178.9787 57 Q 4.1366 8.1978 117.6353 58.7527 28.6202 178.4221 58 K 3.9257 8.1602 119.9592 59.3323 32.2708 178.4882 59 A 4.1538 7.7252 119.9822 55.1778 18.3905 179.5384 60 R 4.1198 7.8789 115.7824 57.8818 30.3768 176.9490 61 C 4.3650 7.8214 119.6386 57.6659 32.0944 171.4594 62 P 4.3962 0.0000 0.0000 62.7927 31.6108 175.6922 63 Q 4.7722 8.2298 120.6522 53.2972 31.2445 173.7875 64 P 4.5682 0.0000 0.0000 62.9509 33.0909 174.8045 65 A 5.3813 8.4422 121.7005 50.3523 23.1797 174.3776 66 A 5.0889 9.2064 118.9923 50.6858 23.1103 175.3821 67 A 5.4224 9.3174 121.6071 50.2277 23.0654 175.3696 68 I 5.2024 8.8491 120.7809 59.8930 39.8085 174.8753 69 I 5.3931 9.1520 128.2947 60.0148 40.2919 174.7985 70 S 5.2817 9.4700 119.1917 57.7006 66.0080 174.6259 71 T 4.4950 8.6177 114.2890 62.1682 69.6757 174.1973 72 N 4.7188 8.4317 122.8377 52.1876 38.8712 174.8771 73 Q 3.4369 8.2922 127.9272 59.0446 28.9062 177.9009 74 Q 4.2023 7.9387 119.9925 58.2379 28.7655 178.2965 75 F 4.3102 8.6122 121.8385 61.3931 39.4284 177.3366 76 I 3.5431 7.4857 118.0691 64.4119 36.3826 178.4696 77 Q 3.9669 8.2693 119.1137 58.4910 28.3763 178.6438 78 W 4.0716 8.4642 129.9127 60.4098 30.7849 178.0106 79 L 3.3860 7.9079 118.9442 57.4512 40.9037 179.4554 80 K 3.8361 7.9170 119.4895 59.3560 31.8971 178.8421 81 L 3.8241 7.4729 118.1108 57.7790 41.5952 179.5526 82 R 3.7553 7.3318 116.8353 59.1392 30.0322 178.6905 83 L 4.2076 8.0617 117.4025 55.2680 41.9190 176.9933 84 E 3.8202 8.1972 122.9910 57.4828 30.0633 174.7910 85 Y 4.3111 7.3177 115.2144 56.7388 36.7960 174.6434 86 V 4.4128 6.8254 111.8429 59.9438 36.7104 175.2708 87 L 4.4721 8.6451 121.9795 53.7245 44.8555 174.8253 *89 G 3.5998 8.4081 105.1103 47.4345 0.0000 171.5857 90 Q 5.2378 8.5541 115.6646 55.6726 31.4271 173.3124 91 F 5.2925 8.6249 114.3330 56.4947 41.8539 173.1418 92 T 5.0817 8.9023 110.2762 60.1270 70.9540 175.9453 93 S 4.4215 8.9675 118.3477 61.5257 62.9665 176.8052 94 E 4.0135 7.7713 116.8429 58.1788 29.7533 177.5812 95 E 4.2336 8.0625 118.6448 57.4168 30.1606 176.4375 96 V 4.4002 7.3033 117.5944 60.0460 33.5417 172.8834 97 P 4.4042 0.0000 0.0000 65.4235 31.2547 176.4950 98 N 4.8256 7.6013 118.0129 49.2674 38.8878 172.5133 99 P 4.0593 0.0000 0.0000 65.2783 31.5892 177.4144 100 L 4.3922 7.4486 113.6116 54.1811 41.9968 176.2990 101 A 4.0678 7.8358 122.5893 52.4515 19.2471 176.9688 102 S 4.8105 8.5761 116.2009 56.2468 65.0017 173.4005 103 L 4.6503 8.7466 125.5855 54.4078 42.1065 176.7939 104 A 4.2564 7.9032 122.8978 52.5418 18.6606 178.4277 105 S 4.7245 8.5644 113.8945 57.6899 64.3964 174.3722 106 V 4.4982 7.3755 119.5355 59.8848 34.1936 174.7105 107 L 4.4541 8.2159 121.6202 53.3928 42.9557 176.4638 108 E 4.0942 8.6342 121.8886 56.5547 29.5770 176.3941 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 A 8.12 4.32 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 3 T 8.03 4.58 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 0.54 0.00 0.00 4 Y 9.49 4.39 0.00 1.44 2.36 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 5 Y 8.88 5.09 0.00 3.01 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 6 Y 8.47 5.59 0.00 3.33 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 7 I 8.85 4.98 1.95 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 1.22 1.03 0.90 0.00 0.00 8 L 9.50 5.54 0.00 2.07 1.77 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.81 5.03 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 10 S 8.66 4.76 0.00 4.07 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 0.00 11 K 8.84 4.10 0.00 1.85 1.92 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.54 7.81 12 K 8.06 3.98 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.52 7.81 13 F 8.41 4.21 0.00 3.11 3.24 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 0.00 0.00 0.00 0.00 14 L 8.09 4.55 0.00 1.83 1.73 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.40 4.37 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 1.24 0.00 0.00 16 E 8.46 4.47 0.00 1.97 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 17 E 7.93 4.38 0.00 1.42 1.62 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 2.15 2.24 0.00 18 E 7.37 4.52 0.00 1.28 1.68 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 1.81 2.30 0.00 19 P 0.00 4.82 0.00 2.19 2.04 0.00 3.37 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 20 L 8.49 4.71 0.00 2.01 2.16 1.16 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.27 3.96 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 22 E 8.24 4.06 0.00 2.13 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 2.48 2.41 0.00 23 V 7.98 3.68 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 1.25 0.00 0.00 1.18 0.00 0.00 24 F 8.88 4.03 0.00 3.43 3.24 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 0.00 0.00 0.00 0.00 25 R 8.36 4.09 0.00 1.95 2.05 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 26 E 8.68 3.99 0.00 2.03 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 0.00 2.35 2.49 0.00 27 R 7.95 3.78 0.00 1.50 1.36 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 28 Q 8.66 4.10 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.87 0.00 29 R 8.30 3.98 0.00 2.06 2.02 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 30 H 8.49 4.40 0.00 3.24 3.60 0.00 5.78 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 31 Y 8.52 3.91 0.00 3.18 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 32 R 8.36 3.99 0.00 2.19 2.01 0.00 3.25 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 33 E 8.18 4.05 0.00 2.13 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 2.55 2.27 0.00 34 Q 7.62 4.33 0.00 1.80 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 35 G 7.58 3.86 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 0.00 0.00 0.00 36 K 8.07 4.31 0.00 1.35 1.22 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.12 1.14 7.81 37 E 8.56 4.19 0.00 2.03 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 2.41 2.42 0.00 38 I 8.48 3.50 1.70 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 -0.28 0.00 0.00 39 D 8.17 4.36 0.00 2.78 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 40 F 5.78 4.85 0.00 2.83 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 41 W 9.62 5.55 0.00 3.45 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 42 L 8.82 4.75 0.00 1.26 1.48 0.75 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.23 4.49 2.24 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 1.09 0.00 0.00 1.11 0.00 0.00 44 P 0.00 4.51 0.00 2.10 2.03 0.00 3.97 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 1.97 1.99 0.00 45 E 8.89 3.68 0.00 2.03 1.89 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 2.21 2.20 0.00 46 P 0.00 4.50 0.00 1.25 2.07 0.00 3.53 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 47 A 8.76 3.90 1.28 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 0.00 0.00 0.00 0.00 0.00 48 F 7.89 3.97 0.00 2.46 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 49 L 5.87 3.56 0.00 0.65 1.39 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.71 4.27 0.00 2.03 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 2.18 2.41 0.00 51 Q 7.68 4.31 0.00 2.60 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 52 P 0.00 4.25 0.00 2.14 2.10 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 53 Q 7.93 3.98 0.00 1.66 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.22 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.00 54 F 8.07 4.94 0.00 3.28 3.14 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 55 A 8.22 4.06 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 56 E 8.13 3.91 0.00 2.06 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 2.41 2.38 0.00 57 Q 8.20 4.14 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 58 K 8.16 3.93 0.00 1.93 2.02 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.42 7.81 59 A 7.73 4.15 1.41 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 0.00 0.00 60 R 7.88 4.12 0.00 1.86 2.03 0.00 3.25 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 61 C 7.82 4.36 0.00 3.01 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 62 P 0.00 4.40 0.00 2.09 1.97 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 63 Q 8.23 4.77 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 64 P 0.00 4.57 0.00 2.10 2.16 0.00 3.63 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 2.07 1.97 0.00 65 A 8.44 5.38 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 66 A 9.21 5.09 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 67 A 9.32 5.42 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.85 5.20 2.11 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.08 1.24 0.00 0.00 69 I 9.15 5.39 2.34 0.00 0.00 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 1.42 1.09 1.25 0.00 0.00 70 S 9.47 5.28 0.00 4.16 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 71 T 8.62 4.49 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 1.11 0.00 0.00 72 N 8.43 4.72 0.00 2.96 2.86 0.00 0.00 6.77 6.59 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 73 Q 8.29 3.44 0.00 0.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.67 0.00 0.00 0.00 0.00 0.00 2.04 1.73 0.00 74 Q 7.94 4.20 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 75 F 8.61 4.31 0.00 2.98 3.22 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 0.00 0.00 0.00 0.00 76 I 7.49 3.54 2.00 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 1.83 1.12 0.90 0.00 0.00 77 Q 8.27 3.97 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 78 W 8.46 4.07 0.00 3.40 3.35 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 79 L 7.91 3.39 0.00 1.70 1.53 0.51 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.92 3.84 0.00 1.85 1.81 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.55 7.81 81 L 7.47 3.82 0.00 1.63 1.52 0.91 0.65 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 82 R 7.33 3.76 0.00 1.13 1.50 0.00 3.04 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.50 0.00 83 L 8.06 4.21 0.00 1.69 1.96 0.82 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.20 3.82 0.00 1.87 1.78 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 1.47 1.86 0.00 85 Y 7.32 4.31 0.00 2.47 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 0.00 0.00 0.00 0.00 86 V 6.83 4.41 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 0.75 0.00 0.00 0.90 0.00 0.00 87 L 8.65 4.47 0.00 1.71 1.75 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *89 G 8.41 3.60 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 90 Q 8.55 5.24 0.00 1.75 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 91 F 8.62 5.29 0.00 3.38 3.52 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 92 T 8.90 5.08 4.53 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 1.26 0.00 0.00 93 S 8.97 4.42 0.00 4.05 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 94 E 7.77 4.01 0.00 2.23 2.12 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 2.37 2.46 0.00 95 E 8.06 4.23 0.00 2.32 2.12 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 2.33 2.30 0.00 96 V 7.30 4.40 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 0.57 0.00 0.00 0.35 0.00 0.00 97 P 0.00 4.40 0.00 2.19 2.17 0.00 3.85 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 1.95 1.98 0.00 98 N 7.60 4.83 0.00 2.73 2.67 0.00 0.00 7.06 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 99 P 0.00 4.06 0.00 1.27 1.18 0.00 3.49 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.20 0.00 100 L 7.45 4.39 0.00 1.33 1.49 0.55 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.84 4.07 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 0.00 102 S 8.58 4.81 0.00 3.83 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 0.00 103 L 8.75 4.65 0.00 1.52 1.61 0.84 0.76 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 0.00 104 A 7.90 4.26 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.56 4.72 0.00 3.93 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 0.00 106 V 7.38 4.50 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 0.78 0.00 0.00 0.92 0.00 0.00 107 L 8.22 4.45 0.00 1.64 1.62 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.63 4.09 0.00 1.91 1.82 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 2.28 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.